data_15702_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15702 _Entry.PDB_ID 2K2E _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 5 . 1 1 1 A 4 4 HIS C C 4 174.800 174.844 -0.044 1 1 6 . 1 1 1 A 4 4 HIS CA C 4 55.900 55.814 0.086 1 1 7 . 1 1 1 A 4 4 HIS CB C 4 30.000 30.227 -0.227 1 1 8 . 1 1 1 A 5 5 THR H H 5 7.990 8.837 -0.847 1 1 9 . 1 1 1 A 5 5 THR C C 5 173.800 173.557 0.243 1 1 10 . 1 1 1 A 5 5 THR CA C 5 61.500 62.471 -0.971 1 1 11 . 1 1 1 A 5 5 THR CB C 5 69.900 68.901 0.999 1 1 12 . 1 1 1 A 5 5 THR N N 5 115.300 119.740 -4.440 1 1 13 . 1 1 1 A 6 6 ASP H H 6 8.370 9.001 -0.631 1 1 14 . 1 1 1 A 6 6 ASP HA H 6 4.860 5.168 -0.308 1 1 17 . 1 1 1 A 6 6 ASP CA C 6 52.500 50.828 1.672 1 1 18 . 1 1 1 A 6 6 ASP CB C 6 41.100 41.383 -0.283 1 1 19 . 1 1 1 A 6 6 ASP N N 6 124.400 127.613 -3.213 1 1 20 . 1 1 1 A 7 7 PRO HA H 7 4.350 4.852 -0.502 1 1 26 . 1 1 1 A 7 7 PRO C C 7 176.900 176.158 0.742 1 1 27 . 1 1 1 A 7 7 PRO CA C 7 63.500 62.278 1.222 1 1 28 . 1 1 1 A 7 7 PRO CB C 7 32.100 31.898 0.202 1 1 31 . 1 1 1 A 8 8 ALA H H 8 8.420 8.477 -0.057 1 1 32 . 1 1 1 A 8 8 ALA HA H 8 4.260 4.688 -0.428 1 1 36 . 1 1 1 A 8 8 ALA C C 8 178.100 178.682 -0.582 1 1 37 . 1 1 1 A 8 8 ALA CA C 8 52.900 50.807 2.093 1 1 38 . 1 1 1 A 8 8 ALA CB C 8 19.200 20.346 -1.146 1 1 39 . 1 1 1 A 8 8 ALA N N 8 122.700 124.953 -2.253 1 1 40 . 1 1 1 A 9 9 THR H H 9 7.880 8.809 -0.929 1 1 41 . 1 1 1 A 9 9 THR HA H 9 4.230 4.216 0.014 1 1 46 . 1 1 1 A 9 9 THR C C 9 173.800 175.551 -1.751 1 1 47 . 1 1 1 A 9 9 THR CA C 9 61.700 64.133 -2.433 1 1 48 . 1 1 1 A 9 9 THR CB C 9 69.700 68.789 0.911 1 1 50 . 1 1 1 A 9 9 THR N N 9 112.900 118.497 -5.597 1 1 51 . 1 1 1 A 10 10 ALA H H 10 8.160 7.481 0.679 1 1 52 . 1 1 1 A 10 10 ALA HA H 10 4.340 4.296 0.044 1 1 56 . 1 1 1 A 10 10 ALA C C 10 177.000 177.653 -0.653 1 1 57 . 1 1 1 A 10 10 ALA CA C 10 52.300 52.961 -0.661 1 1 58 . 1 1 1 A 10 10 ALA CB C 10 19.400 19.682 -0.282 1 1 59 . 1 1 1 A 10 10 ALA N N 10 127.000 124.411 2.589 1 1 60 . 1 1 1 A 11 11 LEU H H 11 8.040 7.444 0.596 1 1 61 . 1 1 1 A 11 11 LEU HA H 11 4.640 4.427 0.213 1 1 70 . 1 1 1 A 11 11 LEU C C 11 178.300 175.628 2.672 1 1 71 . 1 1 1 A 11 11 LEU CA C 11 54.000 54.185 -0.185 1 1 72 . 1 1 1 A 11 11 LEU CB C 11 42.900 40.403 2.497 1 1 75 . 1 1 1 A 11 11 LEU N N 11 121.500 120.103 1.397 1 1 76 . 1 1 1 A 12 12 ASN H H 12 9.700 8.188 1.512 1 1 77 . 1 1 1 A 12 12 ASN HA H 12 4.760 5.041 -0.281 1 1 80 . 1 1 1 A 12 12 ASN C C 12 174.700 174.952 -0.252 1 1 81 . 1 1 1 A 12 12 ASN CA C 12 54.100 53.517 0.583 1 1 82 . 1 1 1 A 12 12 ASN CB C 12 38.100 38.853 -0.753 1 1 83 . 1 1 1 A 12 12 ASN N N 12 121.500 123.875 -2.375 1 1 84 . 1 1 1 A 13 13 THR H H 13 8.710 8.968 -0.258 1 1 85 . 1 1 1 A 13 13 THR HA H 13 4.760 5.112 -0.352 1 1 90 . 1 1 1 A 13 13 THR C C 13 173.600 173.546 0.054 1 1 91 . 1 1 1 A 13 13 THR CA C 13 61.900 61.642 0.258 1 1 92 . 1 1 1 A 13 13 THR CB C 13 71.500 72.345 -0.845 1 1 94 . 1 1 1 A 13 13 THR N N 13 121.800 119.420 2.380 1 1 95 . 1 1 1 A 14 14 VAL H H 14 9.500 9.139 0.361 1 1 96 . 1 1 1 A 14 14 VAL HA H 14 4.660 4.023 0.637 1 1 104 . 1 1 1 A 14 14 VAL C C 14 177.000 177.260 -0.260 1 1 105 . 1 1 1 A 14 14 VAL CA C 14 63.800 63.710 0.090 1 1 106 . 1 1 1 A 14 14 VAL CB C 14 30.600 31.485 -0.885 1 1 109 . 1 1 1 A 14 14 VAL N N 14 126.700 125.843 0.857 1 1 110 . 1 1 1 A 15 15 THR H H 15 8.900 9.079 -0.179 1 1 111 . 1 1 1 A 15 15 THR HA H 15 4.300 4.506 -0.206 1 1 116 . 1 1 1 A 15 15 THR C C 15 174.900 175.018 -0.118 1 1 117 . 1 1 1 A 15 15 THR CA C 15 62.800 62.623 0.177 1 1 118 . 1 1 1 A 15 15 THR CB C 15 68.700 69.118 -0.418 1 1 120 . 1 1 1 A 15 15 THR N N 15 122.000 119.511 2.489 1 1 121 . 1 1 1 A 16 16 ALA H H 16 7.960 7.311 0.649 1 1 122 . 1 1 1 A 16 16 ALA HA H 16 4.360 4.674 -0.314 1 1 126 . 1 1 1 A 16 16 ALA C C 16 174.400 177.060 -2.660 1 1 127 . 1 1 1 A 16 16 ALA CA C 16 52.600 51.688 0.912 1 1 128 . 1 1 1 A 16 16 ALA CB C 16 21.900 22.633 -0.733 1 1 129 . 1 1 1 A 16 16 ALA N N 16 120.900 121.316 -0.416 1 1 130 . 1 1 1 A 17 17 TYR H H 17 7.790 9.102 -1.312 1 1 131 . 1 1 1 A 17 17 TYR HA H 17 4.390 4.275 0.115 1 1 136 . 1 1 1 A 17 17 TYR C C 17 173.000 175.620 -2.620 1 1 137 . 1 1 1 A 17 17 TYR CA C 17 56.400 61.235 -4.835 1 1 138 . 1 1 1 A 17 17 TYR CB C 17 39.700 39.076 0.624 1 1 141 . 1 1 1 A 17 17 TYR N N 17 114.800 122.988 -8.188 1 1 142 . 1 1 1 A 18 18 GLY H H 18 7.030 7.893 -0.863 1 1 143 . 1 1 1 A 18 18 GLY HA2 H 18 3.210 3.090 0.120 1 1 144 . 1 1 1 A 18 18 GLY HA3 H 18 3.900 3.863 0.037 1 1 145 . 1 1 1 A 18 18 GLY C C 18 172.200 172.234 -0.034 1 1 146 . 1 1 1 A 18 18 GLY CA C 18 44.900 44.146 0.754 1 1 147 . 1 1 1 A 18 18 GLY N N 18 108.600 106.059 2.541 1 1 148 . 1 1 1 A 19 19 ASP H H 19 8.410 8.318 0.092 1 1 149 . 1 1 1 A 19 19 ASP HA H 19 4.320 4.887 -0.567 1 1 152 . 1 1 1 A 19 19 ASP C C 19 176.500 176.702 -0.202 1 1 153 . 1 1 1 A 19 19 ASP CA C 19 55.600 53.034 2.566 1 1 154 . 1 1 1 A 19 19 ASP CB C 19 39.500 41.363 -1.863 1 1 155 . 1 1 1 A 19 19 ASP N N 19 120.400 119.586 0.814 1 1 156 . 1 1 1 A 20 20 GLY H H 20 8.670 8.298 0.372 1 1 157 . 1 1 1 A 20 20 GLY HA2 H 20 3.670 3.968 -0.298 1 1 158 . 1 1 1 A 20 20 GLY HA3 H 20 4.210 4.027 0.183 1 1 159 . 1 1 1 A 20 20 GLY C C 20 173.900 173.217 0.683 1 1 160 . 1 1 1 A 20 20 GLY CA C 20 45.800 45.356 0.444 1 1 161 . 1 1 1 A 20 20 GLY N N 20 113.500 112.021 1.479 1 1 162 . 1 1 1 A 21 21 TYR H H 21 7.530 7.134 0.396 1 1 163 . 1 1 1 A 21 21 TYR HA H 21 5.480 5.120 0.360 1 1 168 . 1 1 1 A 21 21 TYR C C 21 172.800 172.675 0.125 1 1 169 . 1 1 1 A 21 21 TYR CA C 21 56.700 56.099 0.601 1 1 170 . 1 1 1 A 21 21 TYR CB C 21 41.400 40.300 1.100 1 1 173 . 1 1 1 A 21 21 TYR N N 21 114.300 115.224 -0.924 1 1 174 . 1 1 1 A 22 22 ILE H H 22 8.780 8.746 0.034 1 1 175 . 1 1 1 A 22 22 ILE HA H 22 4.350 4.980 -0.630 1 1 185 . 1 1 1 A 22 22 ILE C C 22 173.800 174.599 -0.799 1 1 186 . 1 1 1 A 22 22 ILE CA C 22 60.200 60.560 -0.360 1 1 187 . 1 1 1 A 22 22 ILE CB C 22 41.700 41.294 0.406 1 1 191 . 1 1 1 A 22 22 ILE N N 22 119.300 119.871 -0.571 1 1 192 . 1 1 1 A 23 23 GLU H H 23 9.010 9.362 -0.352 1 1 193 . 1 1 1 A 23 23 GLU HA H 23 5.680 4.959 0.721 1 1 198 . 1 1 1 A 23 23 GLU C C 23 175.000 175.538 -0.538 1 1 199 . 1 1 1 A 23 23 GLU CA C 23 54.300 55.553 -1.253 1 1 200 . 1 1 1 A 23 23 GLU CB C 23 33.500 30.849 2.651 1 1 202 . 1 1 1 A 23 23 GLU N N 23 127.800 128.170 -0.370 1 1 203 . 1 1 1 A 24 24 VAL H H 24 8.980 8.914 0.066 1 1 204 . 1 1 1 A 24 24 VAL HA H 24 4.840 4.412 0.428 1 1 212 . 1 1 1 A 24 24 VAL C C 24 177.300 176.325 0.975 1 1 213 . 1 1 1 A 24 24 VAL CA C 24 60.600 61.011 -0.411 1 1 214 . 1 1 1 A 24 24 VAL CB C 24 33.600 33.578 0.022 1 1 217 . 1 1 1 A 24 24 VAL N N 24 125.400 127.315 -1.915 1 1 218 . 1 1 1 A 25 25 ASN H H 25 9.340 9.365 -0.025 1 1 219 . 1 1 1 A 25 25 ASN HA H 25 4.340 4.381 -0.041 1 1 222 . 1 1 1 A 25 25 ASN C C 25 173.800 174.207 -0.407 1 1 223 . 1 1 1 A 25 25 ASN CA C 25 54.600 54.223 0.377 1 1 224 . 1 1 1 A 25 25 ASN CB C 25 36.600 37.356 -0.756 1 1 225 . 1 1 1 A 25 25 ASN N N 25 127.800 126.514 1.286 1 1 226 . 1 1 1 A 26 26 GLN H H 26 7.920 8.262 -0.342 1 1 227 . 1 1 1 A 26 26 GLN HA H 26 3.670 3.845 -0.175 1 1 232 . 1 1 1 A 26 26 GLN C C 26 174.400 174.612 -0.212 1 1 233 . 1 1 1 A 26 26 GLN CA C 26 58.100 57.224 0.876 1 1 234 . 1 1 1 A 26 26 GLN CB C 26 26.500 26.858 -0.358 1 1 236 . 1 1 1 A 26 26 GLN N N 26 104.100 110.419 -6.319 1 1 237 . 1 1 1 A 27 27 VAL H H 27 7.850 7.886 -0.036 1 1 238 . 1 1 1 A 27 27 VAL HA H 27 3.900 3.937 -0.037 1 1 246 . 1 1 1 A 27 27 VAL C C 27 174.200 174.652 -0.452 1 1 247 . 1 1 1 A 27 27 VAL CA C 27 62.100 61.756 0.344 1 1 248 . 1 1 1 A 27 27 VAL CB C 27 32.500 31.761 0.739 1 1 251 . 1 1 1 A 27 27 VAL N N 27 123.100 119.785 3.315 1 1 252 . 1 1 1 A 28 28 ARG H H 28 8.430 8.720 -0.290 1 1 253 . 1 1 1 A 28 28 ARG HA H 28 4.320 4.649 -0.329 1 1 256 . 1 1 1 A 28 28 ARG C C 28 175.200 174.899 0.301 1 1 257 . 1 1 1 A 28 28 ARG CA C 28 57.100 55.274 1.826 1 1 258 . 1 1 1 A 28 28 ARG CB C 28 31.300 30.181 1.119 1 1 259 . 1 1 1 A 28 28 ARG N N 28 126.200 127.565 -1.365 1 1 260 . 1 1 1 A 29 29 PHE H H 29 9.290 9.118 0.172 1 1 261 . 1 1 1 A 29 29 PHE HA H 29 4.580 4.749 -0.169 1 1 266 . 1 1 1 A 29 29 PHE C C 29 175.800 175.981 -0.181 1 1 267 . 1 1 1 A 29 29 PHE CA C 29 57.700 57.298 0.402 1 1 268 . 1 1 1 A 29 29 PHE CB C 29 42.000 39.080 2.920 1 1 271 . 1 1 1 A 29 29 PHE N N 29 123.900 125.898 -1.998 1 1 272 . 1 1 1 A 30 30 SER H H 30 8.950 9.127 -0.177 1 1 273 . 1 1 1 A 30 30 SER HA H 30 5.130 4.718 0.412 1 1 276 . 1 1 1 A 30 30 SER C C 30 172.900 173.635 -0.735 1 1 277 . 1 1 1 A 30 30 SER CA C 30 57.000 58.516 -1.516 1 1 278 . 1 1 1 A 30 30 SER CB C 30 63.200 63.182 0.018 1 1 279 . 1 1 1 A 30 30 SER N N 30 119.400 117.508 1.892 1 1 280 . 1 1 1 A 31 31 HIS H H 31 7.170 7.390 -0.220 1 1 281 . 1 1 1 A 31 31 HIS HA H 31 4.840 5.060 -0.220 1 1 284 . 1 1 1 A 31 31 HIS C C 31 171.900 172.811 -0.911 1 1 285 . 1 1 1 A 31 31 HIS CA C 31 53.200 54.223 -1.023 1 1 286 . 1 1 1 A 31 31 HIS CB C 31 31.100 31.561 -0.461 1 1 287 . 1 1 1 A 31 31 HIS N N 31 114.600 116.793 -2.193 1 1 288 . 1 1 1 A 32 32 ALA H H 32 8.930 8.469 0.461 1 1 289 . 1 1 1 A 32 32 ALA HA H 32 5.050 4.781 0.269 1 1 293 . 1 1 1 A 32 32 ALA C C 32 179.000 177.599 1.401 1 1 294 . 1 1 1 A 32 32 ALA CA C 32 53.700 52.788 0.912 1 1 295 . 1 1 1 A 32 32 ALA CB C 32 20.700 19.536 1.164 1 1 296 . 1 1 1 A 32 32 ALA N N 32 120.200 122.303 -2.103 1 1 297 . 1 1 1 A 33 33 ILE H H 33 8.280 8.696 -0.416 1 1 298 . 1 1 1 A 33 33 ILE HA H 33 5.520 5.003 0.517 1 1 308 . 1 1 1 A 33 33 ILE C C 33 173.400 174.128 -0.728 1 1 309 . 1 1 1 A 33 33 ILE CA C 33 59.500 59.239 0.261 1 1 310 . 1 1 1 A 33 33 ILE CB C 33 44.500 41.997 2.503 1 1 313 . 1 1 1 A 33 33 ILE N N 33 115.800 118.066 -2.266 1 1 314 . 1 1 1 A 34 34 ALA H H 34 8.900 8.837 0.063 1 1 315 . 1 1 1 A 34 34 ALA HA H 34 5.290 5.401 -0.111 1 1 319 . 1 1 1 A 34 34 ALA C C 34 176.100 175.934 0.166 1 1 320 . 1 1 1 A 34 34 ALA CA C 34 51.100 50.239 0.861 1 1 321 . 1 1 1 A 34 34 ALA CB C 34 21.900 20.943 0.957 1 1 322 . 1 1 1 A 34 34 ALA N N 34 121.600 124.797 -3.197 1 1 323 . 1 1 1 A 35 35 PHE H H 35 8.580 8.498 0.082 1 1 324 . 1 1 1 A 35 35 PHE HA H 35 4.740 5.653 -0.913 1 1 330 . 1 1 1 A 35 35 PHE C C 35 170.000 172.637 -2.637 1 1 331 . 1 1 1 A 35 35 PHE CA C 35 57.100 55.199 1.901 1 1 332 . 1 1 1 A 35 35 PHE CB C 35 39.700 42.170 -2.470 1 1 336 . 1 1 1 A 35 35 PHE N N 35 116.600 118.233 -1.633 1 1 337 . 1 1 1 A 36 36 ALA H H 36 8.730 8.578 0.152 1 1 338 . 1 1 1 A 36 36 ALA HA H 36 5.170 4.770 0.400 1 1 342 . 1 1 1 A 36 36 ALA CA C 36 49.100 50.002 -0.902 1 1 343 . 1 1 1 A 36 36 ALA CB C 36 20.500 21.652 -1.152 1 1 344 . 1 1 1 A 36 36 ALA N N 36 123.400 120.807 2.593 1 1 345 . 1 1 1 A 37 37 PRO HA H 37 4.740 4.508 0.232 1 1 350 . 1 1 1 A 37 37 PRO C C 37 176.500 176.708 -0.208 1 1 351 . 1 1 1 A 37 37 PRO CA C 37 66.200 65.754 0.446 1 1 352 . 1 1 1 A 37 37 PRO CB C 37 33.600 31.741 1.859 1 1 354 . 1 1 1 A 38 38 GLU H H 38 7.450 8.349 -0.899 1 1 355 . 1 1 1 A 38 38 GLU HA H 38 4.790 4.793 -0.003 1 1 360 . 1 1 1 A 38 38 GLU C C 38 177.300 176.542 0.758 1 1 361 . 1 1 1 A 38 38 GLU CA C 38 54.200 55.538 -1.338 1 1 362 . 1 1 1 A 38 38 GLU CB C 38 32.600 30.428 2.172 1 1 364 . 1 1 1 A 38 38 GLU N N 38 110.100 116.899 -6.799 1 1 365 . 1 1 1 A 39 39 GLY H H 39 8.600 8.226 0.374 1 1 366 . 1 1 1 A 39 39 GLY HA2 H 39 3.920 4.154 -0.234 1 1 367 . 1 1 1 A 39 39 GLY HA3 H 39 4.440 4.155 0.285 1 1 368 . 1 1 1 A 39 39 GLY CA C 39 44.400 44.844 -0.444 1 1 369 . 1 1 1 A 39 39 GLY N N 39 109.500 110.440 -0.940 1 1 370 . 1 1 1 A 40 40 PRO HA H 40 4.550 4.693 -0.143 1 1 375 . 1 1 1 A 40 40 PRO C C 40 177.100 175.368 1.732 1 1 376 . 1 1 1 A 40 40 PRO CA C 40 62.500 62.323 0.177 1 1 377 . 1 1 1 A 40 40 PRO CB C 40 32.700 33.130 -0.430 1 1 378 . 1 1 1 A 41 41 VAL H H 41 8.530 8.442 0.088 1 1 379 . 1 1 1 A 41 41 VAL HA H 41 3.900 4.566 -0.666 1 1 387 . 1 1 1 A 41 41 VAL C C 41 175.200 174.960 0.240 1 1 388 . 1 1 1 A 41 41 VAL CA C 41 63.000 61.426 1.574 1 1 389 . 1 1 1 A 41 41 VAL CB C 41 31.100 32.333 -1.233 1 1 392 . 1 1 1 A 41 41 VAL N N 41 123.000 118.962 4.038 1 1 393 . 1 1 1 A 42 42 ALA H H 42 8.320 9.349 -1.029 1 1 394 . 1 1 1 A 42 42 ALA HA H 42 4.750 4.884 -0.134 1 1 398 . 1 1 1 A 42 42 ALA C C 42 177.400 176.294 1.106 1 1 399 . 1 1 1 A 42 42 ALA CA C 42 50.800 50.938 -0.138 1 1 400 . 1 1 1 A 42 42 ALA CB C 42 21.400 20.043 1.357 1 1 401 . 1 1 1 A 42 42 ALA N N 42 131.300 131.728 -0.428 1 1 402 . 1 1 1 A 43 43 SER H H 43 8.660 8.936 -0.276 1 1 403 . 1 1 1 A 43 43 SER HA H 43 4.690 5.034 -0.344 1 1 406 . 1 1 1 A 43 43 SER CA C 43 59.000 57.409 1.591 1 1 407 . 1 1 1 A 43 43 SER CB C 43 62.800 64.443 -1.643 1 1 408 . 1 1 1 A 43 43 SER N N 43 115.400 118.130 -2.730 1 1 409 . 1 1 1 A 44 44 TRP HA H 44 5.470 5.054 0.416 1 1 418 . 1 1 1 A 44 44 TRP CA C 44 52.200 55.341 -3.141 1 1 419 . 1 1 1 A 44 44 TRP CB C 44 31.000 30.614 0.386 1 1 426 . 1 1 1 A 45 45 PRO HA H 45 4.550 4.533 0.017 1 1 431 . 1 1 1 A 45 45 PRO C C 45 173.000 176.228 -3.228 1 1 432 . 1 1 1 A 45 45 PRO CA C 45 63.300 63.696 -0.396 1 1 433 . 1 1 1 A 45 45 PRO CB C 45 27.800 31.920 -4.120 1 1 435 . 1 1 1 A 46 46 VAL H H 46 8.390 7.755 0.635 1 1 436 . 1 1 1 A 46 46 VAL HA H 46 3.770 4.103 -0.333 1 1 444 . 1 1 1 A 46 46 VAL C C 46 174.100 175.878 -1.778 1 1 445 . 1 1 1 A 46 46 VAL CA C 46 61.100 62.435 -1.335 1 1 446 . 1 1 1 A 46 46 VAL CB C 46 35.200 32.261 2.939 1 1 449 . 1 1 1 A 46 46 VAL N N 46 124.300 121.116 3.184 1 1 450 . 1 1 1 A 47 47 GLN H H 47 8.970 9.241 -0.271 1 1 451 . 1 1 1 A 47 47 GLN HA H 47 4.430 4.828 -0.398 1 1 456 . 1 1 1 A 47 47 GLN C C 47 175.100 175.570 -0.470 1 1 457 . 1 1 1 A 47 47 GLN CA C 47 56.400 56.225 0.175 1 1 458 . 1 1 1 A 47 47 GLN CB C 47 30.900 31.521 -0.621 1 1 459 . 1 1 1 A 47 47 GLN N N 47 122.000 125.716 -3.716 1 1 460 . 1 1 1 A 48 48 ARG H H 48 7.720 7.610 0.110 1 1 461 . 1 1 1 A 48 48 ARG HA H 48 4.750 4.927 -0.177 1 1 468 . 1 1 1 A 48 48 ARG CA C 48 52.800 53.880 -1.080 1 1 469 . 1 1 1 A 48 48 ARG CB C 48 30.500 32.319 -1.819 1 1 471 . 1 1 1 A 48 48 ARG N N 48 116.600 115.263 1.337 1 1 472 . 1 1 1 A 49 49 PRO HA H 49 3.750 4.567 -0.817 1 1 477 . 1 1 1 A 49 49 PRO C C 49 177.500 177.232 0.268 1 1 478 . 1 1 1 A 49 49 PRO CA C 49 65.400 64.247 1.153 1 1 479 . 1 1 1 A 49 49 PRO CB C 49 30.700 31.750 -1.050 1 1 481 . 1 1 1 A 50 50 ALA H H 50 7.960 8.328 -0.368 1 1 482 . 1 1 1 A 50 50 ALA HA H 50 4.010 4.351 -0.341 1 1 486 . 1 1 1 A 50 50 ALA C C 50 177.300 178.344 -1.044 1 1 487 . 1 1 1 A 50 50 ALA CA C 50 53.800 53.593 0.207 1 1 488 . 1 1 1 A 50 50 ALA CB C 50 18.500 19.294 -0.794 1 1 489 . 1 1 1 A 50 50 ALA N N 50 117.200 121.949 -4.749 1 1 490 . 1 1 1 A 51 51 ASP H H 51 7.570 7.830 -0.260 1 1 491 . 1 1 1 A 51 51 ASP HA H 51 4.410 4.602 -0.192 1 1 494 . 1 1 1 A 51 51 ASP C C 51 176.000 176.948 -0.948 1 1 495 . 1 1 1 A 51 51 ASP CA C 51 54.200 55.805 -1.605 1 1 496 . 1 1 1 A 51 51 ASP CB C 51 41.900 41.210 0.690 1 1 497 . 1 1 1 A 51 51 ASP N N 51 114.800 116.139 -1.339 1 1 498 . 1 1 1 A 52 52 ILE H H 52 7.290 7.356 -0.066 1 1 499 . 1 1 1 A 52 52 ILE HA H 52 3.100 3.659 -0.559 1 1 509 . 1 1 1 A 52 52 ILE C C 52 174.800 175.319 -0.519 1 1 510 . 1 1 1 A 52 52 ILE CA C 52 65.100 62.227 2.873 1 1 511 . 1 1 1 A 52 52 ILE CB C 52 37.100 37.536 -0.436 1 1 515 . 1 1 1 A 52 52 ILE N N 52 117.700 121.597 -3.897 1 1 516 . 1 1 1 A 53 53 THR H H 53 6.560 8.068 -1.508 1 1 517 . 1 1 1 A 53 53 THR HA H 53 4.720 4.912 -0.192 1 1 522 . 1 1 1 A 53 53 THR C C 53 174.600 175.634 -1.034 1 1 523 . 1 1 1 A 53 53 THR CA C 53 58.500 59.526 -1.026 1 1 524 . 1 1 1 A 53 53 THR CB C 53 72.900 71.993 0.907 1 1 526 . 1 1 1 A 53 53 THR N N 53 117.300 118.027 -0.727 1 1 527 . 1 1 1 A 54 54 ALA H H 54 9.340 9.033 0.307 1 1 528 . 1 1 1 A 54 54 ALA HA H 54 4.460 4.051 0.409 1 1 532 . 1 1 1 A 54 54 ALA C C 54 167.400 179.779 -12.379 1 1 533 . 1 1 1 A 54 54 ALA CA C 54 55.800 55.230 0.570 1 1 534 . 1 1 1 A 54 54 ALA CB C 54 18.200 18.204 -0.004 1 1 535 . 1 1 1 A 54 54 ALA N N 54 123.800 124.618 -0.818 1 1 536 . 1 1 1 A 55 55 SER H H 55 8.530 8.019 0.511 1 1 537 . 1 1 1 A 55 55 SER HA H 55 4.280 4.094 0.186 1 1 541 . 1 1 1 A 55 55 SER C C 55 177.700 176.020 1.680 1 1 542 . 1 1 1 A 55 55 SER CA C 55 61.600 62.236 -0.636 1 1 543 . 1 1 1 A 55 55 SER CB C 55 62.600 63.110 -0.510 1 1 544 . 1 1 1 A 55 55 SER N N 55 112.600 114.510 -1.910 1 1 545 . 1 1 1 A 56 56 LEU H H 56 7.810 7.849 -0.039 1 1 546 . 1 1 1 A 56 56 LEU HA H 56 4.280 4.026 0.254 1 1 556 . 1 1 1 A 56 56 LEU C C 56 168.100 179.733 -11.633 1 1 557 . 1 1 1 A 56 56 LEU CA C 56 57.900 57.716 0.184 1 1 558 . 1 1 1 A 56 56 LEU CB C 56 42.100 40.916 1.184 1 1 562 . 1 1 1 A 56 56 LEU N N 56 122.500 120.761 1.739 1 1 563 . 1 1 1 A 57 57 LEU H H 57 8.490 8.033 0.457 1 1 564 . 1 1 1 A 57 57 LEU HA H 57 4.180 4.143 0.037 1 1 574 . 1 1 1 A 57 57 LEU C C 57 178.000 179.532 -1.532 1 1 575 . 1 1 1 A 57 57 LEU CA C 57 58.300 58.104 0.196 1 1 576 . 1 1 1 A 57 57 LEU CB C 57 41.200 40.902 0.298 1 1 580 . 1 1 1 A 57 57 LEU N N 57 123.900 120.094 3.806 1 1 581 . 1 1 1 A 58 58 GLN H H 58 8.500 8.125 0.375 1 1 582 . 1 1 1 A 58 58 GLN HA H 58 3.680 4.056 -0.376 1 1 589 . 1 1 1 A 58 58 GLN C C 58 178.200 178.930 -0.730 1 1 590 . 1 1 1 A 58 58 GLN CA C 58 60.200 59.328 0.872 1 1 591 . 1 1 1 A 58 58 GLN CB C 58 28.500 28.060 0.440 1 1 593 . 1 1 1 A 58 58 GLN N N 58 118.800 118.900 -0.100 1 1 595 . 1 1 1 A 59 59 GLN H H 59 8.300 7.831 0.469 1 1 596 . 1 1 1 A 59 59 GLN HA H 59 4.090 4.096 -0.006 1 1 601 . 1 1 1 A 59 59 GLN C C 59 179.900 178.822 1.078 1 1 602 . 1 1 1 A 59 59 GLN CA C 59 58.900 58.779 0.121 1 1 603 . 1 1 1 A 59 59 GLN CB C 59 28.800 28.566 0.234 1 1 605 . 1 1 1 A 59 59 GLN N N 59 118.600 119.600 -1.000 1 1 606 . 1 1 1 A 60 60 ALA H H 60 7.850 8.529 -0.679 1 1 607 . 1 1 1 A 60 60 ALA HA H 60 3.580 3.963 -0.383 1 1 611 . 1 1 1 A 60 60 ALA C C 60 176.700 180.096 -3.396 1 1 612 . 1 1 1 A 60 60 ALA CA C 60 54.700 54.537 0.163 1 1 613 . 1 1 1 A 60 60 ALA CB C 60 17.400 18.065 -0.665 1 1 614 . 1 1 1 A 60 60 ALA N N 60 122.500 122.248 0.252 1 1 615 . 1 1 1 A 61 61 ALA H H 61 7.540 7.470 0.070 1 1 616 . 1 1 1 A 61 61 ALA HA H 61 3.970 4.270 -0.300 1 1 620 . 1 1 1 A 61 61 ALA C C 61 176.300 178.050 -1.750 1 1 621 . 1 1 1 A 61 61 ALA CA C 61 52.400 52.154 0.246 1 1 622 . 1 1 1 A 61 61 ALA CB C 61 19.100 19.403 -0.303 1 1 623 . 1 1 1 A 61 61 ALA N N 61 113.700 118.116 -4.416 1 1 624 . 1 1 1 A 62 62 GLY H H 62 7.600 7.974 -0.374 1 1 625 . 1 1 1 A 62 62 GLY HA2 H 62 3.890 3.918 -0.028 1 1 626 . 1 1 1 A 62 62 GLY HA3 H 62 3.980 3.932 0.048 1 1 627 . 1 1 1 A 62 62 GLY C C 62 175.400 174.964 0.436 1 1 628 . 1 1 1 A 62 62 GLY CA C 62 45.800 46.669 -0.869 1 1 629 . 1 1 1 A 62 62 GLY N N 62 104.800 106.626 -1.826 1 1 630 . 1 1 1 A 63 63 LEU H H 63 7.770 8.087 -0.317 1 1 631 . 1 1 1 A 63 63 LEU HA H 63 4.430 4.075 0.355 1 1 640 . 1 1 1 A 63 63 LEU C C 63 176.400 176.872 -0.472 1 1 641 . 1 1 1 A 63 63 LEU CA C 63 54.000 58.246 -4.246 1 1 642 . 1 1 1 A 63 63 LEU CB C 63 42.500 41.785 0.715 1 1 645 . 1 1 1 A 63 63 LEU N N 63 119.100 119.023 0.077 1 1 646 . 1 1 1 A 64 64 ALA H H 64 8.060 7.926 0.134 1 1 647 . 1 1 1 A 64 64 ALA HA H 64 4.160 4.008 0.152 1 1 651 . 1 1 1 A 64 64 ALA C C 64 177.300 177.312 -0.012 1 1 652 . 1 1 1 A 64 64 ALA CA C 64 52.700 52.949 -0.249 1 1 653 . 1 1 1 A 64 64 ALA CB C 64 19.700 17.094 2.606 1 1 654 . 1 1 1 A 64 64 ALA N N 64 122.900 119.642 3.258 1 1 655 . 1 1 1 A 65 65 GLU H H 65 8.260 8.056 0.204 1 1 656 . 1 1 1 A 65 65 GLU C C 65 176.300 176.981 -0.681 1 1 657 . 1 1 1 A 65 65 GLU CA C 65 56.400 58.678 -2.278 1 1 658 . 1 1 1 A 65 65 GLU CB C 65 30.100 30.148 -0.048 1 1 659 . 1 1 1 A 65 65 GLU N N 65 118.900 118.721 0.179 1 1 660 . 1 1 1 A 66 66 VAL H H 66 7.960 7.546 0.414 1 1 661 . 1 1 1 A 66 66 VAL HA H 66 4.020 4.394 -0.374 1 1 663 . 1 1 1 A 66 66 VAL C C 66 175.900 174.572 1.328 1 1 664 . 1 1 1 A 66 66 VAL CA C 66 62.300 61.626 0.674 1 1 665 . 1 1 1 A 66 66 VAL CB C 66 32.800 32.471 0.329 1 1 666 . 1 1 1 A 66 66 VAL N N 66 121.500 119.482 2.018 1 1 667 . 1 1 1 A 67 67 VAL H H 67 8.210 8.862 -0.652 1 1 668 . 1 1 1 A 67 67 VAL C C 67 175.800 175.511 0.289 1 1 669 . 1 1 1 A 67 67 VAL CA C 67 62.200 62.810 -0.610 1 1 670 . 1 1 1 A 67 67 VAL CB C 67 32.600 31.685 0.915 1 1 671 . 1 1 1 A 67 67 VAL N N 67 124.900 130.382 -5.482 1 1 672 . 1 1 1 A 68 68 ARG H H 68 8.380 8.889 -0.509 1 1 673 . 1 1 1 A 68 68 ARG HA H 68 4.270 4.218 0.052 1 1 674 . 1 1 1 A 68 68 ARG C C 68 175.400 176.299 -0.899 1 1 675 . 1 1 1 A 68 68 ARG CA C 68 55.700 58.633 -2.933 1 1 676 . 1 1 1 A 68 68 ARG CB C 68 31.100 30.593 0.507 1 1 677 . 1 1 1 A 68 68 ARG N N 68 125.900 126.698 -0.798 1 1 678 . 1 1 1 A 69 69 ASP H H 69 8.390 8.089 0.301 1 1 679 . 1 1 1 A 69 69 ASP HA H 69 4.800 5.075 -0.275 1 1 682 . 1 1 1 A 69 69 ASP CA C 69 51.700 51.322 0.378 1 1 683 . 1 1 1 A 69 69 ASP CB C 69 41.700 41.567 0.133 1 1 684 . 1 1 1 A 69 69 ASP N N 69 123.600 119.535 4.065 1 1 685 . 1 1 1 A 70 70 PRO HA H 70 4.290 4.558 -0.268 1 1 688 . 1 1 1 A 70 70 PRO C C 70 177.500 177.576 -0.076 1 1 689 . 1 1 1 A 70 70 PRO CA C 70 64.100 63.282 0.818 1 1 690 . 1 1 1 A 70 70 PRO CB C 70 32.300 31.956 0.344 1 1 691 . 1 1 1 A 71 71 LEU H H 71 8.280 8.725 -0.445 1 1 692 . 1 1 1 A 71 71 LEU HA H 71 4.260 4.281 -0.021 1 1 698 . 1 1 1 A 71 71 LEU C C 71 177.600 177.068 0.532 1 1 699 . 1 1 1 A 71 71 LEU CA C 71 55.100 57.102 -2.002 1 1 700 . 1 1 1 A 71 71 LEU CB C 71 41.200 42.796 -1.596 1 1 702 . 1 1 1 A 71 71 LEU N N 71 118.400 119.912 -1.512 1 1 703 . 1 1 1 A 72 72 ALA H H 72 7.660 7.793 -0.133 1 1 704 . 1 1 1 A 72 72 ALA HA H 72 4.170 4.602 -0.432 1 1 708 . 1 1 1 A 72 72 ALA C C 72 177.400 176.094 1.306 1 1 709 . 1 1 1 A 72 72 ALA CA C 72 52.600 50.866 1.734 1 1 710 . 1 1 1 A 72 72 ALA CB C 72 19.200 19.559 -0.359 1 1 711 . 1 1 1 A 72 72 ALA N N 72 122.900 120.375 2.525 1 1 712 . 1 1 1 A 73 73 PHE H H 73 7.940 9.176 -1.236 1 1 713 . 1 1 1 A 73 73 PHE HA H 73 4.510 4.727 -0.217 1 1 717 . 1 1 1 A 73 73 PHE C C 73 175.600 174.392 1.208 1 1 718 . 1 1 1 A 73 73 PHE CA C 73 57.800 57.573 0.227 1 1 719 . 1 1 1 A 73 73 PHE CB C 73 39.100 39.523 -0.423 1 1 720 . 1 1 1 A 73 73 PHE N N 73 118.200 126.860 -8.660 1 1 721 . 1 1 1 A 74 74 LEU H H 74 7.890 8.643 -0.753 1 1 722 . 1 1 1 A 74 74 LEU CA C 74 55.200 53.620 1.580 1 1 723 . 1 1 1 A 74 74 LEU CB C 74 42.400 41.846 0.554 1 1 724 . 1 1 1 A 74 74 LEU N N 74 122.600 127.783 -5.183 1 1 725 . 1 1 1 A 78 78 GLU C C 78 176.600 174.175 2.425 1 1 726 . 1 1 1 A 78 78 GLU CA C 78 57.500 55.427 2.073 1 1 727 . 1 1 1 A 78 78 GLU CB C 78 30.100 33.244 -3.144 1 1 728 . 1 1 1 A 79 79 ALA H H 79 8.460 8.354 0.106 1 1 729 . 1 1 1 A 79 79 ALA C C 79 178.300 179.078 -0.778 1 1 730 . 1 1 1 A 79 79 ALA CA C 79 52.900 51.014 1.886 1 1 731 . 1 1 1 A 79 79 ALA CB C 79 19.200 19.812 -0.612 1 1 732 . 1 1 1 A 79 79 ALA N N 79 124.700 125.905 -1.205 1 1 733 . 1 1 1 A 80 80 GLY H H 80 8.330 8.229 0.101 1 1 734 . 1 1 1 A 80 80 GLY C C 80 174.100 173.825 0.275 1 1 735 . 1 1 1 A 80 80 GLY CA C 80 45.100 47.113 -2.013 1 1 736 . 1 1 1 A 80 80 GLY N N 80 108.200 107.320 0.880 1 1 737 . 1 1 1 A 81 81 ALA H H 81 8.140 7.749 0.391 1 1 738 . 1 1 1 A 81 81 ALA HA H 81 4.170 4.659 -0.489 1 1 739 . 1 1 1 A 81 81 ALA C C 81 178.400 175.240 3.160 1 1 740 . 1 1 1 A 81 81 ALA CA C 81 52.800 51.352 1.448 1 1 741 . 1 1 1 A 81 81 ALA CB C 81 19.200 22.859 -3.659 1 1 742 . 1 1 1 A 81 81 ALA N N 81 123.600 118.939 4.661 1 1 743 . 1 1 1 A 82 82 GLY H H 82 8.400 8.580 -0.180 1 1 744 . 1 1 1 A 82 82 GLY HA2 H 82 3.860 4.291 -0.431 1 1 745 . 1 1 1 A 82 82 GLY HA3 H 82 2.880 4.292 -1.412 1 1 746 . 1 1 1 A 82 82 GLY C C 82 173.600 171.379 2.221 1 1 747 . 1 1 1 A 82 82 GLY CA C 82 45.200 43.803 1.397 1 1 748 . 1 1 1 A 82 82 GLY N N 82 108.000 105.925 2.075 1 1 749 . 1 1 1 A 83 83 ALA H H 83 7.980 8.667 -0.687 1 1 750 . 1 1 1 A 83 83 ALA HA H 83 4.280 5.229 -0.949 1 1 754 . 1 1 1 A 83 83 ALA C C 83 177.200 177.138 0.062 1 1 755 . 1 1 1 A 83 83 ALA CA C 83 52.100 50.622 1.478 1 1 756 . 1 1 1 A 83 83 ALA CB C 83 19.500 20.674 -1.174 1 1 757 . 1 1 1 A 83 83 ALA N N 83 123.300 122.783 0.517 1 1 758 . 1 1 1 A 84 84 ARG H H 84 8.240 8.860 -0.620 1 1 759 . 1 1 1 A 84 84 ARG HA H 84 4.610 4.534 0.076 1 1 762 . 1 1 1 A 84 84 ARG CA C 84 54.000 54.170 -0.170 1 1 763 . 1 1 1 A 84 84 ARG CB C 84 30.500 29.820 0.680 1 1 764 . 1 1 1 A 84 84 ARG N N 84 121.700 123.239 -1.539 1 1 765 . 1 1 1 A 85 85 PRO HA H 85 4.390 4.271 0.119 1 1 770 . 1 1 1 A 85 85 PRO C C 85 177.000 177.251 -0.251 1 1 771 . 1 1 1 A 85 85 PRO CA C 85 62.900 65.999 -3.099 1 1 772 . 1 1 1 A 85 85 PRO CB C 85 32.200 31.729 0.471 1 1 773 . 1 1 1 A 86 86 ALA H H 86 8.600 7.937 0.663 1 1 774 . 1 1 1 A 86 86 ALA HA H 86 4.150 4.083 0.067 1 1 778 . 1 1 1 A 86 86 ALA C C 86 177.800 177.600 0.200 1 1 779 . 1 1 1 A 86 86 ALA CA C 86 53.400 54.054 -0.654 1 1 780 . 1 1 1 A 86 86 ALA CB C 86 18.900 18.348 0.552 1 1 781 . 1 1 1 A 86 86 ALA N N 86 124.900 119.092 5.808 1 1 782 . 1 1 1 A 87 87 ASN H H 87 8.380 8.101 0.279 1 1 783 . 1 1 1 A 87 87 ASN HA H 87 4.590 4.869 -0.279 1 1 786 . 1 1 1 A 87 87 ASN C C 87 174.400 174.789 -0.389 1 1 787 . 1 1 1 A 87 87 ASN CA C 87 52.600 53.240 -0.640 1 1 788 . 1 1 1 A 87 87 ASN CB C 87 38.300 38.729 -0.429 1 1 789 . 1 1 1 A 87 87 ASN N N 87 114.900 114.660 0.240 1 1 790 . 1 1 1 A 88 88 ALA H H 88 7.800 7.410 0.390 1 1 791 . 1 1 1 A 88 88 ALA HA H 88 4.400 4.440 -0.040 1 1 795 . 1 1 1 A 88 88 ALA CA C 88 50.400 50.941 -0.541 1 1 796 . 1 1 1 A 88 88 ALA CB C 88 17.900 18.136 -0.236 1 1 797 . 1 1 1 A 88 88 ALA N N 88 123.600 123.560 0.040 1 1 798 . 1 1 1 A 89 89 PRO HA H 89 4.390 4.459 -0.069 1 1 805 . 1 1 1 A 89 89 PRO C C 89 175.000 177.773 -2.773 1 1 806 . 1 1 1 A 89 89 PRO CA C 89 62.400 63.224 -0.824 1 1 807 . 1 1 1 A 89 89 PRO CB C 89 31.700 31.878 -0.178 1 1 810 . 1 1 1 A 90 90 GLU H H 90 9.000 8.893 0.107 1 1 811 . 1 1 1 A 90 90 GLU HA H 90 4.310 4.170 0.140 1 1 814 . 1 1 1 A 90 90 GLU C C 90 177.300 176.300 1.000 1 1 815 . 1 1 1 A 90 90 GLU CA C 90 58.000 58.888 -0.888 1 1 816 . 1 1 1 A 90 90 GLU CB C 90 31.400 30.215 1.185 1 1 817 . 1 1 1 A 90 90 GLU N N 90 117.700 123.263 -5.563 1 1 818 . 1 1 1 A 91 91 VAL H H 91 7.310 7.534 -0.224 1 1 819 . 1 1 1 A 91 91 VAL HA H 91 4.570 4.817 -0.247 1 1 827 . 1 1 1 A 91 91 VAL C C 91 171.000 173.098 -2.098 1 1 828 . 1 1 1 A 91 91 VAL CA C 91 59.700 59.902 -0.202 1 1 829 . 1 1 1 A 91 91 VAL CB C 91 35.600 35.375 0.225 1 1 832 . 1 1 1 A 91 91 VAL N N 91 115.900 117.397 -1.497 1 1 833 . 1 1 1 A 92 92 LEU H H 92 8.700 9.586 -0.886 1 1 834 . 1 1 1 A 92 92 LEU HA H 92 4.950 5.234 -0.284 1 1 844 . 1 1 1 A 92 92 LEU C C 92 174.300 174.394 -0.094 1 1 845 . 1 1 1 A 92 92 LEU CA C 92 52.700 53.308 -0.608 1 1 846 . 1 1 1 A 92 92 LEU CB C 92 44.100 45.164 -1.064 1 1 850 . 1 1 1 A 92 92 LEU N N 92 128.500 130.014 -1.514 1 1 851 . 1 1 1 A 93 93 LEU H H 93 8.770 9.522 -0.752 1 1 852 . 1 1 1 A 93 93 LEU HA H 93 4.910 4.982 -0.072 1 1 862 . 1 1 1 A 93 93 LEU C C 93 174.900 175.347 -0.447 1 1 863 . 1 1 1 A 93 93 LEU CA C 93 52.600 53.507 -0.907 1 1 864 . 1 1 1 A 93 93 LEU CB C 93 44.300 42.221 2.079 1 1 868 . 1 1 1 A 93 93 LEU N N 93 127.300 128.444 -1.144 1 1 869 . 1 1 1 A 94 94 VAL H H 94 8.800 8.913 -0.113 1 1 870 . 1 1 1 A 94 94 VAL HA H 94 4.880 4.480 0.400 1 1 878 . 1 1 1 A 94 94 VAL C C 94 175.000 175.579 -0.579 1 1 879 . 1 1 1 A 94 94 VAL CA C 94 60.000 61.152 -1.152 1 1 880 . 1 1 1 A 94 94 VAL CB C 94 33.900 32.934 0.966 1 1 883 . 1 1 1 A 94 94 VAL N N 94 122.000 125.859 -3.859 1 1 884 . 1 1 1 A 95 95 GLY H H 95 9.730 9.290 0.440 1 1 885 . 1 1 1 A 95 95 GLY HA2 H 95 3.240 4.148 -0.908 1 1 886 . 1 1 1 A 95 95 GLY HA3 H 95 4.940 4.172 0.768 1 1 887 . 1 1 1 A 95 95 GLY C C 95 175.000 175.240 -0.240 1 1 888 . 1 1 1 A 95 95 GLY CA C 95 45.500 44.856 0.644 1 1 889 . 1 1 1 A 95 95 GLY N N 95 114.000 116.411 -2.411 1 1 890 . 1 1 1 A 96 96 THR H H 96 9.320 8.973 0.347 1 1 891 . 1 1 1 A 96 96 THR HA H 96 4.210 4.450 -0.240 1 1 896 . 1 1 1 A 96 96 THR C C 96 173.000 176.111 -3.111 1 1 897 . 1 1 1 A 96 96 THR CA C 96 61.800 63.433 -1.633 1 1 898 . 1 1 1 A 96 96 THR CB C 96 67.600 70.345 -2.745 1 1 900 . 1 1 1 A 96 96 THR N N 96 113.800 116.419 -2.619 1 1 901 . 1 1 1 A 97 97 GLY H H 97 8.600 7.740 0.860 1 1 902 . 1 1 1 A 97 97 GLY HA2 H 97 3.580 4.010 -0.430 1 1 903 . 1 1 1 A 97 97 GLY HA3 H 97 4.500 4.014 0.486 1 1 904 . 1 1 1 A 97 97 GLY C C 97 174.800 175.846 -1.046 1 1 905 . 1 1 1 A 97 97 GLY CA C 97 44.000 45.907 -1.907 1 1 906 . 1 1 1 A 97 97 GLY N N 97 110.900 110.122 0.778 1 1 907 . 1 1 1 A 98 98 ARG H H 98 9.400 8.593 0.807 1 1 908 . 1 1 1 A 98 98 ARG HA H 98 4.110 4.319 -0.209 1 1 911 . 1 1 1 A 98 98 ARG C C 98 175.700 176.128 -0.428 1 1 912 . 1 1 1 A 98 98 ARG CA C 98 58.800 58.285 0.515 1 1 913 . 1 1 1 A 98 98 ARG CB C 98 30.700 31.048 -0.348 1 1 914 . 1 1 1 A 98 98 ARG N N 98 125.500 119.798 5.702 1 1 915 . 1 1 1 A 99 99 ARG H H 99 8.180 7.618 0.562 1 1 916 . 1 1 1 A 99 99 ARG HA H 99 4.640 4.643 -0.003 1 1 919 . 1 1 1 A 99 99 ARG C C 99 175.000 174.089 0.911 1 1 920 . 1 1 1 A 99 99 ARG CA C 99 53.100 55.601 -2.501 1 1 921 . 1 1 1 A 99 99 ARG CB C 99 33.200 33.997 -0.797 1 1 922 . 1 1 1 A 99 99 ARG N N 99 114.300 117.530 -3.230 1 1 923 . 1 1 1 A 100 100 GLN H H 100 8.710 8.554 0.156 1 1 924 . 1 1 1 A 100 100 GLN HA H 100 3.620 4.538 -0.918 1 1 929 . 1 1 1 A 100 100 GLN C C 100 173.900 175.839 -1.939 1 1 930 . 1 1 1 A 100 100 GLN CA C 100 56.400 56.218 0.182 1 1 931 . 1 1 1 A 100 100 GLN CB C 100 29.600 28.783 0.817 1 1 933 . 1 1 1 A 100 100 GLN N N 100 121.700 123.887 -2.187 1 1 934 . 1 1 1 A 101 101 HIS H H 101 7.900 8.870 -0.970 1 1 935 . 1 1 1 A 101 101 HIS HA H 101 4.530 5.003 -0.473 1 1 939 . 1 1 1 A 101 101 HIS C C 101 173.100 173.837 -0.737 1 1 940 . 1 1 1 A 101 101 HIS CA C 101 55.100 54.569 0.531 1 1 941 . 1 1 1 A 101 101 HIS CB C 101 32.100 31.160 0.940 1 1 942 . 1 1 1 A 101 101 HIS N N 101 130.600 125.057 5.543 1 1 943 . 1 1 1 A 102 102 LEU H H 102 8.080 8.962 -0.882 1 1 944 . 1 1 1 A 102 102 LEU HA H 102 4.060 4.476 -0.416 1 1 948 . 1 1 1 A 102 102 LEU C C 102 177.200 176.390 0.810 1 1 949 . 1 1 1 A 102 102 LEU CA C 102 54.900 54.659 0.241 1 1 950 . 1 1 1 A 102 102 LEU CB C 102 41.600 41.180 0.420 1 1 951 . 1 1 1 A 102 102 LEU N N 102 121.400 129.125 -7.725 1 1 952 . 1 1 1 A 103 103 LEU H H 103 8.260 8.209 0.051 1 1 953 . 1 1 1 A 103 103 LEU HA H 103 4.490 4.204 0.286 1 1 963 . 1 1 1 A 103 103 LEU C C 103 177.100 176.974 0.126 1 1 964 . 1 1 1 A 103 103 LEU CA C 103 53.400 54.568 -1.168 1 1 965 . 1 1 1 A 103 103 LEU CB C 103 42.600 41.915 0.685 1 1 969 . 1 1 1 A 103 103 LEU N N 103 123.000 126.248 -3.248 1 1 970 . 1 1 1 A 104 104 GLY H H 104 8.820 8.507 0.313 1 1 971 . 1 1 1 A 104 104 GLY HA2 H 104 3.930 4.151 -0.221 1 1 972 . 1 1 1 A 104 104 GLY HA3 H 104 4.440 4.155 0.285 1 1 973 . 1 1 1 A 104 104 GLY CA C 104 44.500 43.586 0.914 1 1 974 . 1 1 1 A 104 104 GLY N N 104 110.200 110.881 -0.681 1 1 975 . 1 1 1 A 105 105 PRO HA H 105 4.230 4.237 -0.007 1 1 978 . 1 1 1 A 105 105 PRO C C 105 178.900 177.706 1.194 1 1 979 . 1 1 1 A 105 105 PRO CA C 105 65.200 65.347 -0.147 1 1 980 . 1 1 1 A 105 105 PRO CB C 105 31.900 31.963 -0.063 1 1 981 . 1 1 1 A 106 106 GLU H H 106 9.150 8.368 0.782 1 1 982 . 1 1 1 A 106 106 GLU HA H 106 4.080 4.090 -0.010 1 1 987 . 1 1 1 A 106 106 GLU C C 106 178.500 178.497 0.003 1 1 988 . 1 1 1 A 106 106 GLU CA C 106 58.600 59.553 -0.953 1 1 989 . 1 1 1 A 106 106 GLU CB C 106 28.500 29.141 -0.641 1 1 991 . 1 1 1 A 106 106 GLU N N 106 115.400 117.851 -2.451 1 1 992 . 1 1 1 A 107 107 GLN H H 107 7.680 7.955 -0.275 1 1 993 . 1 1 1 A 107 107 GLN HA H 107 4.160 4.387 -0.227 1 1 998 . 1 1 1 A 107 107 GLN C C 107 175.200 177.455 -2.255 1 1 999 . 1 1 1 A 107 107 GLN CA C 107 58.500 57.194 1.306 1 1 1000 . 1 1 1 A 107 107 GLN CB C 107 29.400 29.644 -0.244 1 1 1002 . 1 1 1 A 107 107 GLN N N 107 116.100 116.933 -0.833 1 1 1003 . 1 1 1 A 108 108 VAL H H 108 7.080 7.683 -0.603 1 1 1004 . 1 1 1 A 108 108 VAL HA H 108 4.270 3.942 0.328 1 1 1012 . 1 1 1 A 108 108 VAL C C 108 177.500 177.845 -0.345 1 1 1013 . 1 1 1 A 108 108 VAL CA C 108 62.000 64.409 -2.409 1 1 1014 . 1 1 1 A 108 108 VAL CB C 108 33.000 31.847 1.153 1 1 1017 . 1 1 1 A 108 108 VAL N N 108 104.800 115.487 -10.687 1 1 1018 . 1 1 1 A 109 109 ARG H H 109 8.220 8.076 0.144 1 1 1019 . 1 1 1 A 109 109 ARG HA H 109 4.060 4.114 -0.054 1 1 1024 . 1 1 1 A 109 109 ARG CA C 109 61.700 61.132 0.568 1 1 1025 . 1 1 1 A 109 109 ARG CB C 109 27.600 27.968 -0.368 1 1 1027 . 1 1 1 A 109 109 ARG N N 109 123.100 122.328 0.772 1 1 1028 . 1 1 1 A 110 110 PRO HA H 110 4.290 4.330 -0.040 1 1 1035 . 1 1 1 A 110 110 PRO C C 110 173.000 178.769 -5.769 1 1 1036 . 1 1 1 A 110 110 PRO CA C 110 65.800 65.746 0.054 1 1 1037 . 1 1 1 A 110 110 PRO CB C 110 31.400 30.754 0.646 1 1 1040 . 1 1 1 A 111 111 LEU H H 111 7.080 7.601 -0.521 1 1 1041 . 1 1 1 A 111 111 LEU HA H 111 4.050 4.189 -0.139 1 1 1051 . 1 1 1 A 111 111 LEU C C 111 178.800 179.018 -0.218 1 1 1052 . 1 1 1 A 111 111 LEU CA C 111 57.400 57.250 0.150 1 1 1053 . 1 1 1 A 111 111 LEU CB C 111 40.100 41.648 -1.548 1 1 1056 . 1 1 1 A 111 111 LEU N N 111 117.700 116.822 0.878 1 1 1057 . 1 1 1 A 112 112 LEU H H 112 7.950 8.361 -0.411 1 1 1058 . 1 1 1 A 112 112 LEU HA H 112 4.050 3.969 0.081 1 1 1068 . 1 1 1 A 112 112 LEU C C 112 169.000 179.517 -10.517 1 1 1069 . 1 1 1 A 112 112 LEU CA C 112 58.000 57.781 0.219 1 1 1070 . 1 1 1 A 112 112 LEU CB C 112 41.100 41.273 -0.173 1 1 1074 . 1 1 1 A 112 112 LEU N N 112 121.700 119.441 2.259 1 1 1075 . 1 1 1 A 113 113 ALA H H 113 8.230 8.375 -0.145 1 1 1076 . 1 1 1 A 113 113 ALA HA H 113 4.110 4.128 -0.018 1 1 1080 . 1 1 1 A 113 113 ALA C C 113 178.700 178.975 -0.275 1 1 1081 . 1 1 1 A 113 113 ALA CA C 113 54.400 54.613 -0.213 1 1 1082 . 1 1 1 A 113 113 ALA CB C 113 18.100 18.153 -0.053 1 1 1083 . 1 1 1 A 113 113 ALA N N 113 120.900 122.488 -1.588 1 1 1084 . 1 1 1 A 114 114 MET H H 114 7.270 7.845 -0.575 1 1 1085 . 1 1 1 A 114 114 MET HA H 114 4.490 4.443 0.047 1 1 1093 . 1 1 1 A 114 114 MET C C 114 175.100 176.618 -1.518 1 1 1094 . 1 1 1 A 114 114 MET CA C 114 55.100 55.863 -0.763 1 1 1095 . 1 1 1 A 114 114 MET CB C 114 33.700 33.473 0.227 1 1 1098 . 1 1 1 A 114 114 MET N N 114 115.100 115.559 -0.459 1 1 1099 . 1 1 1 A 115 115 GLY H H 115 7.830 7.951 -0.121 1 1 1100 . 1 1 1 A 115 115 GLY HA2 H 115 3.660 3.970 -0.310 1 1 1101 . 1 1 1 A 115 115 GLY HA3 H 115 4.060 3.970 0.090 1 1 1102 . 1 1 1 A 115 115 GLY C C 115 173.700 174.466 -0.766 1 1 1103 . 1 1 1 A 115 115 GLY CA C 115 45.600 45.295 0.305 1 1 1104 . 1 1 1 A 115 115 GLY N N 115 106.300 107.134 -0.834 1 1 1105 . 1 1 1 A 116 116 VAL H H 116 7.710 7.636 0.074 1 1 1106 . 1 1 1 A 116 116 VAL HA H 116 3.820 4.010 -0.190 1 1 1114 . 1 1 1 A 116 116 VAL C C 116 174.800 175.551 -0.751 1 1 1115 . 1 1 1 A 116 116 VAL CA C 116 61.200 62.645 -1.445 1 1 1116 . 1 1 1 A 116 116 VAL CB C 116 32.800 31.359 1.441 1 1 1119 . 1 1 1 A 116 116 VAL N N 116 123.600 122.085 1.515 1 1 1120 . 1 1 1 A 117 117 GLY H H 117 7.730 8.812 -1.082 1 1 1121 . 1 1 1 A 117 117 GLY HA2 H 117 3.570 4.016 -0.446 1 1 1122 . 1 1 1 A 117 117 GLY HA3 H 117 4.040 4.017 0.023 1 1 1123 . 1 1 1 A 117 117 GLY C C 117 172.600 173.486 -0.886 1 1 1124 . 1 1 1 A 117 117 GLY CA C 117 45.500 45.404 0.096 1 1 1125 . 1 1 1 A 117 117 GLY N N 117 111.400 114.904 -3.504 1 1 1126 . 1 1 1 A 118 118 VAL H H 118 7.740 9.199 -1.459 1 1 1127 . 1 1 1 A 118 118 VAL HA H 118 5.100 4.694 0.406 1 1 1135 . 1 1 1 A 118 118 VAL C C 118 175.500 175.540 -0.040 1 1 1136 . 1 1 1 A 118 118 VAL CA C 118 61.000 62.137 -1.137 1 1 1137 . 1 1 1 A 118 118 VAL CB C 118 34.300 32.576 1.724 1 1 1140 . 1 1 1 A 118 118 VAL N N 118 120.900 126.122 -5.222 1 1 1141 . 1 1 1 A 119 119 GLU H H 119 8.490 9.288 -0.798 1 1 1142 . 1 1 1 A 119 119 GLU HA H 119 4.630 4.865 -0.235 1 1 1147 . 1 1 1 A 119 119 GLU C C 119 173.500 175.234 -1.734 1 1 1148 . 1 1 1 A 119 119 GLU CA C 119 54.600 55.130 -0.530 1 1 1149 . 1 1 1 A 119 119 GLU CB C 119 32.300 31.851 0.449 1 1 1151 . 1 1 1 A 119 119 GLU N N 119 127.000 127.486 -0.486 1 1 1152 . 1 1 1 A 120 120 ALA H H 120 8.600 8.894 -0.294 1 1 1153 . 1 1 1 A 120 120 ALA HA H 120 5.530 4.895 0.635 1 1 1157 . 1 1 1 A 120 120 ALA C C 120 177.100 176.507 0.593 1 1 1158 . 1 1 1 A 120 120 ALA CA C 120 50.300 50.821 -0.521 1 1 1159 . 1 1 1 A 120 120 ALA CB C 120 20.800 19.700 1.100 1 1 1160 . 1 1 1 A 120 120 ALA N N 120 126.500 126.692 -0.192 1 1 1161 . 1 1 1 A 121 121 MET H H 121 9.430 8.794 0.636 1 1 1162 . 1 1 1 A 121 121 MET HA H 121 4.630 5.120 -0.490 1 1 1170 . 1 1 1 A 121 121 MET C C 121 173.300 174.363 -1.063 1 1 1171 . 1 1 1 A 121 121 MET CA C 121 54.600 54.137 0.463 1 1 1172 . 1 1 1 A 121 121 MET CB C 121 36.800 37.746 -0.946 1 1 1175 . 1 1 1 A 121 121 MET N N 121 120.400 121.815 -1.415 1 1 1176 . 1 1 1 A 122 122 ASP H H 122 8.460 8.746 -0.286 1 1 1177 . 1 1 1 A 122 122 ASP HA H 122 4.170 5.003 -0.833 1 1 1180 . 1 1 1 A 122 122 ASP C C 122 175.200 177.172 -1.972 1 1 1181 . 1 1 1 A 122 122 ASP CA C 122 55.000 52.873 2.127 1 1 1182 . 1 1 1 A 122 122 ASP CB C 122 41.000 42.977 -1.977 1 1 1183 . 1 1 1 A 122 122 ASP N N 122 116.700 119.297 -2.597 1 1 1184 . 1 1 1 A 123 123 THR H H 123 9.580 8.829 0.751 1 1 1185 . 1 1 1 A 123 123 THR HA H 123 3.670 3.844 -0.174 1 1 1191 . 1 1 1 A 123 123 THR C C 123 174.400 176.152 -1.752 1 1 1192 . 1 1 1 A 123 123 THR CA C 123 68.700 66.891 1.809 1 1 1193 . 1 1 1 A 123 123 THR CB C 123 68.800 69.028 -0.228 1 1 1195 . 1 1 1 A 123 123 THR N N 123 119.600 115.830 3.770 1 1 1196 . 1 1 1 A 124 124 GLN H H 124 8.580 8.108 0.472 1 1 1197 . 1 1 1 A 124 124 GLN HA H 124 3.240 4.058 -0.818 1 1 1202 . 1 1 1 A 124 124 GLN C C 124 177.700 177.780 -0.080 1 1 1203 . 1 1 1 A 124 124 GLN CA C 124 60.100 58.571 1.529 1 1 1204 . 1 1 1 A 124 124 GLN CB C 124 27.400 28.970 -1.570 1 1 1206 . 1 1 1 A 124 124 GLN N N 124 121.500 121.368 0.132 1 1 1207 . 1 1 1 A 125 125 ALA H H 125 8.210 8.099 0.111 1 1 1208 . 1 1 1 A 125 125 ALA HA H 125 3.960 4.155 -0.195 1 1 1212 . 1 1 1 A 125 125 ALA C C 125 167.800 180.162 -12.362 1 1 1213 . 1 1 1 A 125 125 ALA CA C 125 54.800 54.892 -0.092 1 1 1214 . 1 1 1 A 125 125 ALA CB C 125 18.700 18.178 0.522 1 1 1215 . 1 1 1 A 125 125 ALA N N 125 122.600 121.705 0.895 1 1 1216 . 1 1 1 A 126 126 ALA H H 126 8.900 8.441 0.459 1 1 1217 . 1 1 1 A 126 126 ALA HA H 126 4.110 4.104 0.006 1 1 1221 . 1 1 1 A 126 126 ALA C C 126 178.500 179.562 -1.062 1 1 1222 . 1 1 1 A 126 126 ALA CA C 126 55.300 55.000 0.300 1 1 1223 . 1 1 1 A 126 126 ALA CB C 126 18.100 18.331 -0.231 1 1 1224 . 1 1 1 A 126 126 ALA N N 126 124.600 120.552 4.048 1 1 1225 . 1 1 1 A 127 127 ALA H H 127 8.440 8.272 0.168 1 1 1226 . 1 1 1 A 127 127 ALA HA H 127 3.850 4.101 -0.251 1 1 1230 . 1 1 1 A 127 127 ALA C C 127 178.400 180.382 -1.982 1 1 1231 . 1 1 1 A 127 127 ALA CA C 127 55.500 55.423 0.077 1 1 1232 . 1 1 1 A 127 127 ALA CB C 127 18.500 18.330 0.170 1 1 1233 . 1 1 1 A 127 127 ALA N N 127 120.200 120.567 -0.367 1 1 1234 . 1 1 1 A 128 128 ARG H H 128 7.790 7.868 -0.078 1 1 1235 . 1 1 1 A 128 128 ARG HA H 128 4.020 4.077 -0.057 1 1 1240 . 1 1 1 A 128 128 ARG C C 128 179.400 179.007 0.393 1 1 1241 . 1 1 1 A 128 128 ARG CA C 128 59.600 59.729 -0.129 1 1 1242 . 1 1 1 A 128 128 ARG CB C 128 30.800 29.809 0.991 1 1 1244 . 1 1 1 A 128 128 ARG N N 128 115.900 117.842 -1.942 1 1 1245 . 1 1 1 A 129 129 THR H H 129 8.440 7.930 0.510 1 1 1246 . 1 1 1 A 129 129 THR HA H 129 3.770 3.975 -0.205 1 1 1251 . 1 1 1 A 129 129 THR C C 129 175.300 175.953 -0.653 1 1 1252 . 1 1 1 A 129 129 THR CA C 129 67.300 66.555 0.745 1 1 1253 . 1 1 1 A 129 129 THR CB C 129 68.300 68.640 -0.340 1 1 1255 . 1 1 1 A 129 129 THR N N 129 116.400 117.367 -0.967 1 1 1256 . 1 1 1 A 130 130 TYR H H 130 8.790 8.669 0.121 1 1 1257 . 1 1 1 A 130 130 TYR HA H 130 3.600 4.136 -0.536 1 1 1262 . 1 1 1 A 130 130 TYR C C 130 175.500 178.037 -2.537 1 1 1263 . 1 1 1 A 130 130 TYR CA C 130 62.600 62.070 0.530 1 1 1264 . 1 1 1 A 130 130 TYR CB C 130 37.500 38.728 -1.228 1 1 1265 . 1 1 1 A 130 130 TYR N N 130 123.500 123.141 0.359 1 1 1266 . 1 1 1 A 131 131 ASN H H 131 7.800 8.265 -0.465 1 1 1267 . 1 1 1 A 131 131 ASN HA H 131 4.220 4.138 0.082 1 1 1270 . 1 1 1 A 131 131 ASN C C 131 179.200 178.191 1.009 1 1 1271 . 1 1 1 A 131 131 ASN CA C 131 55.500 56.120 -0.620 1 1 1272 . 1 1 1 A 131 131 ASN CB C 131 37.100 37.984 -0.884 1 1 1273 . 1 1 1 A 131 131 ASN N N 131 117.700 117.993 -0.293 1 1 1274 . 1 1 1 A 132 132 ILE H H 132 7.520 7.657 -0.137 1 1 1275 . 1 1 1 A 132 132 ILE HA H 132 3.710 3.591 0.119 1 1 1285 . 1 1 1 A 132 132 ILE C C 132 178.100 178.206 -0.106 1 1 1286 . 1 1 1 A 132 132 ILE CA C 132 64.900 65.763 -0.863 1 1 1287 . 1 1 1 A 132 132 ILE CB C 132 38.500 38.302 0.198 1 1 1291 . 1 1 1 A 132 132 ILE N N 132 121.000 120.124 0.876 1 1 1292 . 1 1 1 A 133 133 LEU H H 133 8.420 8.314 0.106 1 1 1293 . 1 1 1 A 133 133 LEU HA H 133 3.910 3.980 -0.070 1 1 1303 . 1 1 1 A 133 133 LEU C C 133 179.600 179.328 0.272 1 1 1304 . 1 1 1 A 133 133 LEU CA C 133 57.900 57.955 -0.055 1 1 1305 . 1 1 1 A 133 133 LEU CB C 133 41.700 40.668 1.032 1 1 1309 . 1 1 1 A 133 133 LEU N N 133 120.500 118.069 2.431 1 1 1310 . 1 1 1 A 134 134 MET H H 134 8.990 8.269 0.721 1 1 1311 . 1 1 1 A 134 134 MET HA H 134 3.870 4.154 -0.284 1 1 1319 . 1 1 1 A 134 134 MET C C 134 167.400 177.972 -10.572 1 1 1320 . 1 1 1 A 134 134 MET CA C 134 58.400 58.015 0.385 1 1 1321 . 1 1 1 A 134 134 MET CB C 134 30.700 31.958 -1.258 1 1 1324 . 1 1 1 A 134 134 MET N N 134 119.900 118.521 1.379 1 1 1325 . 1 1 1 A 135 135 ALA H H 135 7.490 8.203 -0.713 1 1 1326 . 1 1 1 A 135 135 ALA HA H 135 4.060 3.923 0.137 1 1 1330 . 1 1 1 A 135 135 ALA C C 135 179.100 179.199 -0.099 1 1 1331 . 1 1 1 A 135 135 ALA CA C 135 54.700 55.415 -0.715 1 1 1332 . 1 1 1 A 135 135 ALA CB C 135 18.000 17.733 0.267 1 1 1333 . 1 1 1 A 135 135 ALA N N 135 124.600 121.324 3.276 1 1 1334 . 1 1 1 A 136 136 GLU H H 136 7.540 8.433 -0.893 1 1 1335 . 1 1 1 A 136 136 GLU HA H 136 4.230 4.177 0.053 1 1 1340 . 1 1 1 A 136 136 GLU C C 136 176.900 176.706 0.194 1 1 1341 . 1 1 1 A 136 136 GLU CA C 136 56.400 58.235 -1.835 1 1 1342 . 1 1 1 A 136 136 GLU CB C 136 30.300 30.132 0.168 1 1 1344 . 1 1 1 A 136 136 GLU N N 136 116.500 117.977 -1.477 1 1 1345 . 1 1 1 A 137 137 GLY H H 137 7.870 7.997 -0.127 1 1 1346 . 1 1 1 A 137 137 GLY HA2 H 137 3.760 3.903 -0.143 1 1 1347 . 1 1 1 A 137 137 GLY HA3 H 137 4.140 3.912 0.228 1 1 1348 . 1 1 1 A 137 137 GLY C C 137 175.100 174.248 0.852 1 1 1349 . 1 1 1 A 137 137 GLY CA C 137 45.600 46.321 -0.721 1 1 1350 . 1 1 1 A 137 137 GLY N N 137 107.100 108.076 -0.976 1 1 1351 . 1 1 1 A 138 138 ARG H H 138 7.580 7.566 0.014 1 1 1352 . 1 1 1 A 138 138 ARG HA H 138 4.270 4.687 -0.417 1 1 1357 . 1 1 1 A 138 138 ARG C C 138 176.900 175.206 1.694 1 1 1358 . 1 1 1 A 138 138 ARG CA C 138 54.500 54.145 0.355 1 1 1359 . 1 1 1 A 138 138 ARG CB C 138 30.100 33.066 -2.966 1 1 1361 . 1 1 1 A 138 138 ARG N N 138 118.100 120.393 -2.293 1 1 1362 . 1 1 1 A 139 139 ARG H H 139 9.240 8.451 0.789 1 1 1363 . 1 1 1 A 139 139 ARG HA H 139 4.470 4.487 -0.017 1 1 1370 . 1 1 1 A 139 139 ARG C C 139 174.400 175.404 -1.004 1 1 1371 . 1 1 1 A 139 139 ARG CA C 139 55.700 56.073 -0.373 1 1 1372 . 1 1 1 A 139 139 ARG CB C 139 28.000 29.992 -1.992 1 1 1375 . 1 1 1 A 139 139 ARG N N 139 124.400 124.095 0.305 1 1 1376 . 1 1 1 A 140 140 VAL H H 140 7.250 8.276 -1.026 1 1 1377 . 1 1 1 A 140 140 VAL HA H 140 5.180 5.228 -0.048 1 1 1385 . 1 1 1 A 140 140 VAL C C 140 172.800 173.840 -1.040 1 1 1386 . 1 1 1 A 140 140 VAL CA C 140 57.700 59.974 -2.274 1 1 1387 . 1 1 1 A 140 140 VAL CB C 140 34.700 35.312 -0.612 1 1 1390 . 1 1 1 A 140 140 VAL N N 140 121.900 122.986 -1.086 1 1 1391 . 1 1 1 A 141 141 VAL H H 141 8.180 8.428 -0.248 1 1 1392 . 1 1 1 A 141 141 VAL HA H 141 4.510 4.856 -0.346 1 1 1400 . 1 1 1 A 141 141 VAL C C 141 172.600 173.928 -1.328 1 1 1401 . 1 1 1 A 141 141 VAL CA C 141 60.300 60.368 -0.068 1 1 1402 . 1 1 1 A 141 141 VAL CB C 141 35.600 34.462 1.138 1 1 1405 . 1 1 1 A 141 141 VAL N N 141 123.900 128.118 -4.218 1 1 1406 . 1 1 1 A 142 142 VAL H H 142 8.430 8.658 -0.228 1 1 1407 . 1 1 1 A 142 142 VAL HA H 142 5.220 4.866 0.354 1 1 1415 . 1 1 1 A 142 142 VAL C C 142 170.000 172.649 -2.649 1 1 1416 . 1 1 1 A 142 142 VAL CA C 142 57.600 59.041 -1.441 1 1 1417 . 1 1 1 A 142 142 VAL CB C 142 35.500 33.458 2.042 1 1 1420 . 1 1 1 A 142 142 VAL N N 142 124.600 128.115 -3.515 1 1 1421 . 1 1 1 A 143 143 ALA H H 143 8.220 9.096 -0.876 1 1 1422 . 1 1 1 A 143 143 ALA HA H 143 4.680 5.016 -0.336 1 1 1426 . 1 1 1 A 143 143 ALA C C 143 175.400 175.418 -0.018 1 1 1427 . 1 1 1 A 143 143 ALA CA C 143 49.900 49.861 0.039 1 1 1428 . 1 1 1 A 143 143 ALA CB C 143 19.600 20.549 -0.949 1 1 1429 . 1 1 1 A 143 143 ALA N N 143 129.100 130.678 -1.578 1 1 1430 . 1 1 1 A 144 144 LEU H H 144 9.070 9.118 -0.048 1 1 1431 . 1 1 1 A 144 144 LEU HA H 144 4.840 5.007 -0.167 1 1 1441 . 1 1 1 A 144 144 LEU CA C 144 53.400 53.520 -0.120 1 1 1442 . 1 1 1 A 144 144 LEU CB C 144 46.500 43.871 2.629 1 1 1445 . 1 1 1 A 144 144 LEU N N 144 119.600 123.513 -3.913 1 1 1446 . 1 1 1 A 145 145 LEU HA H 145 4.830 4.943 -0.113 1 1 1456 . 1 1 1 A 145 145 LEU CA C 145 51.800 51.036 0.764 1 1 1457 . 1 1 1 A 145 145 LEU CB C 145 41.700 45.625 -3.925 1 1 1461 . 1 1 1 A 146 146 PRO HA H 146 4.330 4.442 -0.112 1 1 1466 . 1 1 1 A 146 146 PRO C C 146 175.700 176.079 -0.379 1 1 1467 . 1 1 1 A 146 146 PRO CA C 146 62.800 63.458 -0.658 1 1 1468 . 1 1 1 A 146 146 PRO CB C 146 31.500 32.357 -0.857 1 1 1470 . 1 1 1 A 147 147 ASP H H 147 8.660 8.478 0.182 1 1 1471 . 1 1 1 A 147 147 ASP HA H 147 4.510 4.819 -0.309 1 1 1474 . 1 1 1 A 147 147 ASP C C 147 176.300 176.307 -0.007 1 1 1475 . 1 1 1 A 147 147 ASP CA C 147 54.300 53.384 0.916 1 1 1476 . 1 1 1 A 147 147 ASP CB C 147 42.100 40.178 1.922 1 1 1477 . 1 1 1 A 147 147 ASP N N 147 120.700 121.751 -1.051 1 1 1478 . 1 1 1 A 148 148 GLY H H 148 8.310 7.642 0.668 1 1 1479 . 1 1 1 A 148 148 GLY HA2 H 148 4.020 4.004 0.016 1 1 1480 . 1 1 1 A 148 148 GLY HA3 H 148 4.050 4.025 0.025 1 1 1481 . 1 1 1 A 148 148 GLY C C 148 173.600 174.198 -0.598 1 1 1482 . 1 1 1 A 148 148 GLY CA C 148 45.200 45.505 -0.305 1 1 1483 . 1 1 1 A 148 148 GLY N N 148 109.400 108.152 1.248 1 1 1484 . 1 1 1 A 149 149 ASP H H 149 8.550 8.022 0.528 1 1 1485 . 1 1 1 A 149 149 ASP HA H 149 4.650 5.107 -0.457 1 1 1488 . 1 1 1 A 149 149 ASP C C 149 176.700 174.889 1.811 1 1 1489 . 1 1 1 A 149 149 ASP CA C 149 54.500 53.139 1.361 1 1 1490 . 1 1 1 A 149 149 ASP CB C 149 41.600 43.634 -2.034 1 1 1491 . 1 1 1 A 149 149 ASP N N 149 120.800 120.999 -0.199 1 1 1492 . 1 1 1 A 150 150 SER H H 150 8.600 8.544 0.056 1 1 1493 . 1 1 1 A 150 150 SER HA H 150 4.350 5.040 -0.690 1 1 1496 . 1 1 1 A 150 150 SER C C 150 175.000 174.014 0.986 1 1 1497 . 1 1 1 A 150 150 SER CA C 150 58.900 57.165 1.735 1 1 1498 . 1 1 1 A 150 150 SER CB C 150 63.500 65.324 -1.824 1 1 1499 . 1 1 1 A 150 150 SER N N 150 116.400 112.511 3.889 1 1 1500 . 1 1 1 A 151 151 LEU H H 151 8.290 8.783 -0.493 1 1 1501 . 1 1 1 A 151 151 LEU CA C 151 55.500 58.078 -2.578 1 1 1502 . 1 1 1 A 151 151 LEU CB C 151 41.900 41.518 0.382 1 1 5 . 2 1 1 A 4 4 HIS C C 4 174.800 174.191 0.609 1 1 6 . 2 1 1 A 4 4 HIS CA C 4 55.900 55.436 0.464 1 1 7 . 2 1 1 A 4 4 HIS CB C 4 30.000 31.618 -1.618 1 1 8 . 2 1 1 A 5 5 THR H H 5 7.990 7.614 0.376 1 1 9 . 2 1 1 A 5 5 THR C C 5 173.800 171.046 2.754 1 1 10 . 2 1 1 A 5 5 THR CA C 5 61.500 60.088 1.412 1 1 11 . 2 1 1 A 5 5 THR CB C 5 69.900 70.546 -0.646 1 1 12 . 2 1 1 A 5 5 THR N N 5 115.300 113.007 2.293 1 1 13 . 2 1 1 A 6 6 ASP H H 6 8.370 8.790 -0.420 1 1 14 . 2 1 1 A 6 6 ASP HA H 6 4.860 5.176 -0.316 1 1 17 . 2 1 1 A 6 6 ASP CA C 6 52.500 50.795 1.705 1 1 18 . 2 1 1 A 6 6 ASP CB C 6 41.100 44.634 -3.534 1 1 19 . 2 1 1 A 6 6 ASP N N 6 124.400 123.287 1.113 1 1 20 . 2 1 1 A 7 7 PRO HA H 7 4.350 4.314 0.036 1 1 26 . 2 1 1 A 7 7 PRO C C 7 176.900 177.307 -0.407 1 1 27 . 2 1 1 A 7 7 PRO CA C 7 63.500 64.852 -1.352 1 1 28 . 2 1 1 A 7 7 PRO CB C 7 32.100 31.946 0.154 1 1 31 . 2 1 1 A 8 8 ALA H H 8 8.420 8.330 0.090 1 1 32 . 2 1 1 A 8 8 ALA HA H 8 4.260 3.914 0.346 1 1 36 . 2 1 1 A 8 8 ALA C C 8 178.100 176.993 1.107 1 1 37 . 2 1 1 A 8 8 ALA CA C 8 52.900 54.968 -2.068 1 1 38 . 2 1 1 A 8 8 ALA CB C 8 19.200 17.497 1.703 1 1 39 . 2 1 1 A 8 8 ALA N N 8 122.700 119.872 2.828 1 1 40 . 2 1 1 A 9 9 THR H H 9 7.880 8.262 -0.382 1 1 41 . 2 1 1 A 9 9 THR HA H 9 4.230 4.507 -0.277 1 1 46 . 2 1 1 A 9 9 THR C C 9 173.800 173.984 -0.184 1 1 47 . 2 1 1 A 9 9 THR CA C 9 61.700 61.513 0.187 1 1 48 . 2 1 1 A 9 9 THR CB C 9 69.700 68.876 0.824 1 1 50 . 2 1 1 A 9 9 THR N N 9 112.900 109.249 3.651 1 1 51 . 2 1 1 A 10 10 ALA H H 10 8.160 8.824 -0.664 1 1 52 . 2 1 1 A 10 10 ALA HA H 10 4.340 4.433 -0.093 1 1 56 . 2 1 1 A 10 10 ALA C C 10 177.000 177.690 -0.690 1 1 57 . 2 1 1 A 10 10 ALA CA C 10 52.300 52.261 0.039 1 1 58 . 2 1 1 A 10 10 ALA CB C 10 19.400 19.196 0.204 1 1 59 . 2 1 1 A 10 10 ALA N N 10 127.000 129.971 -2.971 1 1 60 . 2 1 1 A 11 11 LEU H H 11 8.040 9.000 -0.960 1 1 61 . 2 1 1 A 11 11 LEU HA H 11 4.640 4.022 0.618 1 1 70 . 2 1 1 A 11 11 LEU C C 11 178.300 176.550 1.750 1 1 71 . 2 1 1 A 11 11 LEU CA C 11 54.000 57.715 -3.715 1 1 72 . 2 1 1 A 11 11 LEU CB C 11 42.900 42.621 0.279 1 1 75 . 2 1 1 A 11 11 LEU N N 11 121.500 125.228 -3.728 1 1 76 . 2 1 1 A 12 12 ASN H H 12 9.700 8.078 1.622 1 1 77 . 2 1 1 A 12 12 ASN HA H 12 4.760 4.475 0.285 1 1 80 . 2 1 1 A 12 12 ASN C C 12 174.700 174.288 0.412 1 1 81 . 2 1 1 A 12 12 ASN CA C 12 54.100 53.861 0.239 1 1 82 . 2 1 1 A 12 12 ASN CB C 12 38.100 37.132 0.968 1 1 83 . 2 1 1 A 12 12 ASN N N 12 121.500 115.503 5.997 1 1 84 . 2 1 1 A 13 13 THR H H 13 8.710 8.643 0.067 1 1 85 . 2 1 1 A 13 13 THR HA H 13 4.760 4.834 -0.074 1 1 90 . 2 1 1 A 13 13 THR C C 13 173.600 174.027 -0.427 1 1 91 . 2 1 1 A 13 13 THR CA C 13 61.900 62.080 -0.180 1 1 92 . 2 1 1 A 13 13 THR CB C 13 71.500 70.022 1.478 1 1 94 . 2 1 1 A 13 13 THR N N 13 121.800 115.493 6.307 1 1 95 . 2 1 1 A 14 14 VAL H H 14 9.500 9.115 0.385 1 1 96 . 2 1 1 A 14 14 VAL HA H 14 4.660 4.020 0.640 1 1 104 . 2 1 1 A 14 14 VAL C C 14 177.000 176.875 0.125 1 1 105 . 2 1 1 A 14 14 VAL CA C 14 63.800 63.154 0.646 1 1 106 . 2 1 1 A 14 14 VAL CB C 14 30.600 30.793 -0.193 1 1 109 . 2 1 1 A 14 14 VAL N N 14 126.700 127.715 -1.015 1 1 110 . 2 1 1 A 15 15 THR H H 15 8.900 8.298 0.602 1 1 111 . 2 1 1 A 15 15 THR HA H 15 4.300 4.320 -0.020 1 1 116 . 2 1 1 A 15 15 THR C C 15 174.900 174.724 0.176 1 1 117 . 2 1 1 A 15 15 THR CA C 15 62.800 63.036 -0.236 1 1 118 . 2 1 1 A 15 15 THR CB C 15 68.700 69.133 -0.433 1 1 120 . 2 1 1 A 15 15 THR N N 15 122.000 119.104 2.896 1 1 121 . 2 1 1 A 16 16 ALA H H 16 7.960 7.361 0.599 1 1 122 . 2 1 1 A 16 16 ALA HA H 16 4.360 4.450 -0.090 1 1 126 . 2 1 1 A 16 16 ALA C C 16 174.400 176.105 -1.705 1 1 127 . 2 1 1 A 16 16 ALA CA C 16 52.600 51.422 1.178 1 1 128 . 2 1 1 A 16 16 ALA CB C 16 21.900 22.696 -0.796 1 1 129 . 2 1 1 A 16 16 ALA N N 16 120.900 121.611 -0.711 1 1 130 . 2 1 1 A 17 17 TYR H H 17 7.790 8.767 -0.977 1 1 131 . 2 1 1 A 17 17 TYR HA H 17 4.390 4.602 -0.212 1 1 136 . 2 1 1 A 17 17 TYR C C 17 173.000 176.150 -3.150 1 1 137 . 2 1 1 A 17 17 TYR CA C 17 56.400 58.367 -1.967 1 1 138 . 2 1 1 A 17 17 TYR CB C 17 39.700 38.877 0.823 1 1 141 . 2 1 1 A 17 17 TYR N N 17 114.800 118.895 -4.095 1 1 142 . 2 1 1 A 18 18 GLY H H 18 7.030 7.871 -0.841 1 1 143 . 2 1 1 A 18 18 GLY HA2 H 18 3.210 3.706 -0.496 1 1 144 . 2 1 1 A 18 18 GLY HA3 H 18 3.900 3.843 0.057 1 1 145 . 2 1 1 A 18 18 GLY C C 18 172.200 172.651 -0.451 1 1 146 . 2 1 1 A 18 18 GLY CA C 18 44.900 44.887 0.013 1 1 147 . 2 1 1 A 18 18 GLY N N 18 108.600 108.113 0.487 1 1 148 . 2 1 1 A 19 19 ASP H H 19 8.410 7.756 0.654 1 1 149 . 2 1 1 A 19 19 ASP HA H 19 4.320 4.811 -0.491 1 1 152 . 2 1 1 A 19 19 ASP C C 19 176.500 175.502 0.998 1 1 153 . 2 1 1 A 19 19 ASP CA C 19 55.600 52.245 3.355 1 1 154 . 2 1 1 A 19 19 ASP CB C 19 39.500 41.742 -2.242 1 1 155 . 2 1 1 A 19 19 ASP N N 19 120.400 120.587 -0.187 1 1 156 . 2 1 1 A 20 20 GLY H H 20 8.670 8.297 0.373 1 1 157 . 2 1 1 A 20 20 GLY HA2 H 20 3.670 3.951 -0.281 1 1 158 . 2 1 1 A 20 20 GLY HA3 H 20 4.210 3.977 0.233 1 1 159 . 2 1 1 A 20 20 GLY C C 20 173.900 173.170 0.730 1 1 160 . 2 1 1 A 20 20 GLY CA C 20 45.800 45.306 0.494 1 1 161 . 2 1 1 A 20 20 GLY N N 20 113.500 112.283 1.217 1 1 162 . 2 1 1 A 21 21 TYR H H 21 7.530 7.149 0.381 1 1 163 . 2 1 1 A 21 21 TYR HA H 21 5.480 5.061 0.419 1 1 168 . 2 1 1 A 21 21 TYR C C 21 172.800 173.142 -0.342 1 1 169 . 2 1 1 A 21 21 TYR CA C 21 56.700 56.364 0.336 1 1 170 . 2 1 1 A 21 21 TYR CB C 21 41.400 40.252 1.148 1 1 173 . 2 1 1 A 21 21 TYR N N 21 114.300 115.036 -0.736 1 1 174 . 2 1 1 A 22 22 ILE H H 22 8.780 9.225 -0.445 1 1 175 . 2 1 1 A 22 22 ILE HA H 22 4.350 4.743 -0.393 1 1 185 . 2 1 1 A 22 22 ILE C C 22 173.800 175.094 -1.294 1 1 186 . 2 1 1 A 22 22 ILE CA C 22 60.200 60.279 -0.079 1 1 187 . 2 1 1 A 22 22 ILE CB C 22 41.700 40.007 1.693 1 1 191 . 2 1 1 A 22 22 ILE N N 22 119.300 121.428 -2.128 1 1 192 . 2 1 1 A 23 23 GLU H H 23 9.010 9.026 -0.016 1 1 193 . 2 1 1 A 23 23 GLU HA H 23 5.680 5.021 0.659 1 1 198 . 2 1 1 A 23 23 GLU C C 23 175.000 175.490 -0.490 1 1 199 . 2 1 1 A 23 23 GLU CA C 23 54.300 54.911 -0.611 1 1 200 . 2 1 1 A 23 23 GLU CB C 23 33.500 31.219 2.281 1 1 202 . 2 1 1 A 23 23 GLU N N 23 127.800 127.448 0.352 1 1 203 . 2 1 1 A 24 24 VAL H H 24 8.980 9.222 -0.242 1 1 204 . 2 1 1 A 24 24 VAL HA H 24 4.840 4.456 0.384 1 1 212 . 2 1 1 A 24 24 VAL C C 24 177.300 175.980 1.320 1 1 213 . 2 1 1 A 24 24 VAL CA C 24 60.600 61.142 -0.542 1 1 214 . 2 1 1 A 24 24 VAL CB C 24 33.600 34.087 -0.487 1 1 217 . 2 1 1 A 24 24 VAL N N 24 125.400 127.313 -1.913 1 1 218 . 2 1 1 A 25 25 ASN H H 25 9.340 9.139 0.201 1 1 219 . 2 1 1 A 25 25 ASN HA H 25 4.340 4.395 -0.055 1 1 222 . 2 1 1 A 25 25 ASN C C 25 173.800 174.563 -0.763 1 1 223 . 2 1 1 A 25 25 ASN CA C 25 54.600 54.783 -0.183 1 1 224 . 2 1 1 A 25 25 ASN CB C 25 36.600 36.760 -0.160 1 1 225 . 2 1 1 A 25 25 ASN N N 25 127.800 127.133 0.667 1 1 226 . 2 1 1 A 26 26 GLN H H 26 7.920 8.207 -0.287 1 1 227 . 2 1 1 A 26 26 GLN HA H 26 3.670 3.848 -0.178 1 1 232 . 2 1 1 A 26 26 GLN C C 26 174.400 174.779 -0.379 1 1 233 . 2 1 1 A 26 26 GLN CA C 26 58.100 57.620 0.480 1 1 234 . 2 1 1 A 26 26 GLN CB C 26 26.500 26.841 -0.341 1 1 236 . 2 1 1 A 26 26 GLN N N 26 104.100 108.441 -4.341 1 1 237 . 2 1 1 A 27 27 VAL H H 27 7.850 7.662 0.188 1 1 238 . 2 1 1 A 27 27 VAL HA H 27 3.900 4.160 -0.260 1 1 246 . 2 1 1 A 27 27 VAL C C 27 174.200 174.706 -0.506 1 1 247 . 2 1 1 A 27 27 VAL CA C 27 62.100 61.590 0.510 1 1 248 . 2 1 1 A 27 27 VAL CB C 27 32.500 33.046 -0.546 1 1 251 . 2 1 1 A 27 27 VAL N N 27 123.100 119.875 3.225 1 1 252 . 2 1 1 A 28 28 ARG H H 28 8.430 8.693 -0.263 1 1 253 . 2 1 1 A 28 28 ARG HA H 28 4.320 4.999 -0.679 1 1 256 . 2 1 1 A 28 28 ARG C C 28 175.200 174.731 0.469 1 1 257 . 2 1 1 A 28 28 ARG CA C 28 57.100 55.050 2.050 1 1 258 . 2 1 1 A 28 28 ARG CB C 28 31.300 30.639 0.661 1 1 259 . 2 1 1 A 28 28 ARG N N 28 126.200 127.565 -1.365 1 1 260 . 2 1 1 A 29 29 PHE H H 29 9.290 9.526 -0.236 1 1 261 . 2 1 1 A 29 29 PHE HA H 29 4.580 4.794 -0.214 1 1 266 . 2 1 1 A 29 29 PHE C C 29 175.800 175.691 0.109 1 1 267 . 2 1 1 A 29 29 PHE CA C 29 57.700 57.153 0.547 1 1 268 . 2 1 1 A 29 29 PHE CB C 29 42.000 39.601 2.399 1 1 271 . 2 1 1 A 29 29 PHE N N 29 123.900 125.021 -1.121 1 1 272 . 2 1 1 A 30 30 SER H H 30 8.950 8.924 0.026 1 1 273 . 2 1 1 A 30 30 SER HA H 30 5.130 4.745 0.385 1 1 276 . 2 1 1 A 30 30 SER C C 30 172.900 174.109 -1.209 1 1 277 . 2 1 1 A 30 30 SER CA C 30 57.000 59.061 -2.061 1 1 278 . 2 1 1 A 30 30 SER CB C 30 63.200 64.010 -0.810 1 1 279 . 2 1 1 A 30 30 SER N N 30 119.400 119.642 -0.242 1 1 280 . 2 1 1 A 31 31 HIS H H 31 7.170 7.271 -0.101 1 1 281 . 2 1 1 A 31 31 HIS HA H 31 4.840 5.288 -0.448 1 1 284 . 2 1 1 A 31 31 HIS C C 31 171.900 174.437 -2.537 1 1 285 . 2 1 1 A 31 31 HIS CA C 31 53.200 53.396 -0.196 1 1 286 . 2 1 1 A 31 31 HIS CB C 31 31.100 32.921 -1.821 1 1 287 . 2 1 1 A 31 31 HIS N N 31 114.600 116.289 -1.689 1 1 288 . 2 1 1 A 32 32 ALA H H 32 8.930 8.550 0.380 1 1 289 . 2 1 1 A 32 32 ALA HA H 32 5.050 4.512 0.538 1 1 293 . 2 1 1 A 32 32 ALA C C 32 179.000 177.762 1.238 1 1 294 . 2 1 1 A 32 32 ALA CA C 32 53.700 52.580 1.120 1 1 295 . 2 1 1 A 32 32 ALA CB C 32 20.700 19.603 1.097 1 1 296 . 2 1 1 A 32 32 ALA N N 32 120.200 122.537 -2.337 1 1 297 . 2 1 1 A 33 33 ILE H H 33 8.280 8.564 -0.284 1 1 298 . 2 1 1 A 33 33 ILE HA H 33 5.520 5.247 0.273 1 1 308 . 2 1 1 A 33 33 ILE C C 33 173.400 174.343 -0.943 1 1 309 . 2 1 1 A 33 33 ILE CA C 33 59.500 59.372 0.128 1 1 310 . 2 1 1 A 33 33 ILE CB C 33 44.500 42.354 2.146 1 1 313 . 2 1 1 A 33 33 ILE N N 33 115.800 116.782 -0.982 1 1 314 . 2 1 1 A 34 34 ALA H H 34 8.900 9.105 -0.205 1 1 315 . 2 1 1 A 34 34 ALA HA H 34 5.290 5.391 -0.101 1 1 319 . 2 1 1 A 34 34 ALA C C 34 176.100 175.807 0.293 1 1 320 . 2 1 1 A 34 34 ALA CA C 34 51.100 50.539 0.561 1 1 321 . 2 1 1 A 34 34 ALA CB C 34 21.900 20.850 1.050 1 1 322 . 2 1 1 A 34 34 ALA N N 34 121.600 125.162 -3.562 1 1 323 . 2 1 1 A 35 35 PHE H H 35 8.580 8.343 0.237 1 1 324 . 2 1 1 A 35 35 PHE HA H 35 4.740 5.623 -0.883 1 1 330 . 2 1 1 A 35 35 PHE C C 35 170.000 172.515 -2.515 1 1 331 . 2 1 1 A 35 35 PHE CA C 35 57.100 55.313 1.787 1 1 332 . 2 1 1 A 35 35 PHE CB C 35 39.700 42.220 -2.520 1 1 336 . 2 1 1 A 35 35 PHE N N 35 116.600 118.492 -1.892 1 1 337 . 2 1 1 A 36 36 ALA H H 36 8.730 8.746 -0.016 1 1 338 . 2 1 1 A 36 36 ALA HA H 36 5.170 5.023 0.147 1 1 342 . 2 1 1 A 36 36 ALA CA C 36 49.100 50.065 -0.965 1 1 343 . 2 1 1 A 36 36 ALA CB C 36 20.500 22.666 -2.166 1 1 344 . 2 1 1 A 36 36 ALA N N 36 123.400 121.168 2.232 1 1 345 . 2 1 1 A 37 37 PRO HA H 37 4.740 5.171 -0.431 1 1 350 . 2 1 1 A 37 37 PRO C C 37 176.500 176.571 -0.071 1 1 351 . 2 1 1 A 37 37 PRO CA C 37 66.200 64.094 2.106 1 1 352 . 2 1 1 A 37 37 PRO CB C 37 33.600 31.935 1.665 1 1 354 . 2 1 1 A 38 38 GLU H H 38 7.450 8.014 -0.564 1 1 355 . 2 1 1 A 38 38 GLU HA H 38 4.790 4.579 0.211 1 1 360 . 2 1 1 A 38 38 GLU C C 38 177.300 175.553 1.747 1 1 361 . 2 1 1 A 38 38 GLU CA C 38 54.200 55.676 -1.476 1 1 362 . 2 1 1 A 38 38 GLU CB C 38 32.600 31.302 1.298 1 1 364 . 2 1 1 A 38 38 GLU N N 38 110.100 117.784 -7.684 1 1 365 . 2 1 1 A 39 39 GLY H H 39 8.600 7.596 1.004 1 1 366 . 2 1 1 A 39 39 GLY HA2 H 39 3.920 4.163 -0.243 1 1 367 . 2 1 1 A 39 39 GLY HA3 H 39 4.440 4.168 0.272 1 1 368 . 2 1 1 A 39 39 GLY CA C 39 44.400 44.922 -0.522 1 1 369 . 2 1 1 A 39 39 GLY N N 39 109.500 108.849 0.651 1 1 370 . 2 1 1 A 40 40 PRO HA H 40 4.550 4.645 -0.095 1 1 375 . 2 1 1 A 40 40 PRO C C 40 177.100 175.426 1.674 1 1 376 . 2 1 1 A 40 40 PRO CA C 40 62.500 62.458 0.042 1 1 377 . 2 1 1 A 40 40 PRO CB C 40 32.700 33.014 -0.314 1 1 378 . 2 1 1 A 41 41 VAL H H 41 8.530 8.436 0.094 1 1 379 . 2 1 1 A 41 41 VAL HA H 41 3.900 4.491 -0.591 1 1 387 . 2 1 1 A 41 41 VAL C C 41 175.200 175.586 -0.386 1 1 388 . 2 1 1 A 41 41 VAL CA C 41 63.000 61.340 1.660 1 1 389 . 2 1 1 A 41 41 VAL CB C 41 31.100 32.542 -1.442 1 1 392 . 2 1 1 A 41 41 VAL N N 41 123.000 119.085 3.915 1 1 393 . 2 1 1 A 42 42 ALA H H 42 8.320 9.476 -1.156 1 1 394 . 2 1 1 A 42 42 ALA HA H 42 4.750 4.907 -0.157 1 1 398 . 2 1 1 A 42 42 ALA C C 42 177.400 176.961 0.439 1 1 399 . 2 1 1 A 42 42 ALA CA C 42 50.800 51.557 -0.757 1 1 400 . 2 1 1 A 42 42 ALA CB C 42 21.400 20.469 0.931 1 1 401 . 2 1 1 A 42 42 ALA N N 42 131.300 131.821 -0.521 1 1 402 . 2 1 1 A 43 43 SER H H 43 8.660 8.569 0.091 1 1 403 . 2 1 1 A 43 43 SER HA H 43 4.690 5.512 -0.822 1 1 406 . 2 1 1 A 43 43 SER CA C 43 59.000 57.862 1.138 1 1 407 . 2 1 1 A 43 43 SER CB C 43 62.800 65.332 -2.532 1 1 408 . 2 1 1 A 43 43 SER N N 43 115.400 117.440 -2.040 1 1 409 . 2 1 1 A 44 44 TRP HA H 44 5.470 5.023 0.447 1 1 418 . 2 1 1 A 44 44 TRP CA C 44 52.200 54.966 -2.766 1 1 419 . 2 1 1 A 44 44 TRP CB C 44 31.000 31.737 -0.737 1 1 426 . 2 1 1 A 45 45 PRO HA H 45 4.550 4.602 -0.052 1 1 431 . 2 1 1 A 45 45 PRO C C 45 173.000 176.336 -3.336 1 1 432 . 2 1 1 A 45 45 PRO CA C 45 63.300 63.673 -0.373 1 1 433 . 2 1 1 A 45 45 PRO CB C 45 27.800 32.288 -4.488 1 1 435 . 2 1 1 A 46 46 VAL H H 46 8.390 7.734 0.656 1 1 436 . 2 1 1 A 46 46 VAL HA H 46 3.770 4.080 -0.310 1 1 444 . 2 1 1 A 46 46 VAL C C 46 174.100 175.747 -1.647 1 1 445 . 2 1 1 A 46 46 VAL CA C 46 61.100 62.410 -1.310 1 1 446 . 2 1 1 A 46 46 VAL CB C 46 35.200 32.128 3.072 1 1 449 . 2 1 1 A 46 46 VAL N N 46 124.300 120.641 3.659 1 1 450 . 2 1 1 A 47 47 GLN H H 47 8.970 8.903 0.067 1 1 451 . 2 1 1 A 47 47 GLN HA H 47 4.430 4.730 -0.300 1 1 456 . 2 1 1 A 47 47 GLN C C 47 175.100 175.415 -0.315 1 1 457 . 2 1 1 A 47 47 GLN CA C 47 56.400 56.346 0.054 1 1 458 . 2 1 1 A 47 47 GLN CB C 47 30.900 31.231 -0.331 1 1 459 . 2 1 1 A 47 47 GLN N N 47 122.000 125.264 -3.264 1 1 460 . 2 1 1 A 48 48 ARG H H 48 7.720 7.226 0.494 1 1 461 . 2 1 1 A 48 48 ARG HA H 48 4.750 4.709 0.041 1 1 468 . 2 1 1 A 48 48 ARG CA C 48 52.800 52.700 0.100 1 1 469 . 2 1 1 A 48 48 ARG CB C 48 30.500 31.286 -0.786 1 1 471 . 2 1 1 A 48 48 ARG N N 48 116.600 118.385 -1.785 1 1 472 . 2 1 1 A 49 49 PRO HA H 49 3.750 4.506 -0.756 1 1 477 . 2 1 1 A 49 49 PRO C C 49 177.500 177.040 0.460 1 1 478 . 2 1 1 A 49 49 PRO CA C 49 65.400 64.124 1.276 1 1 479 . 2 1 1 A 49 49 PRO CB C 49 30.700 31.646 -0.946 1 1 481 . 2 1 1 A 50 50 ALA H H 50 7.960 8.263 -0.303 1 1 482 . 2 1 1 A 50 50 ALA HA H 50 4.010 4.004 0.006 1 1 486 . 2 1 1 A 50 50 ALA C C 50 177.300 178.306 -1.006 1 1 487 . 2 1 1 A 50 50 ALA CA C 50 53.800 53.647 0.153 1 1 488 . 2 1 1 A 50 50 ALA CB C 50 18.500 18.858 -0.358 1 1 489 . 2 1 1 A 50 50 ALA N N 50 117.200 120.667 -3.467 1 1 490 . 2 1 1 A 51 51 ASP H H 51 7.570 7.402 0.168 1 1 491 . 2 1 1 A 51 51 ASP HA H 51 4.410 4.575 -0.165 1 1 494 . 2 1 1 A 51 51 ASP C C 51 176.000 176.913 -0.913 1 1 495 . 2 1 1 A 51 51 ASP CA C 51 54.200 55.214 -1.014 1 1 496 . 2 1 1 A 51 51 ASP CB C 51 41.900 41.492 0.408 1 1 497 . 2 1 1 A 51 51 ASP N N 51 114.800 115.871 -1.071 1 1 498 . 2 1 1 A 52 52 ILE H H 52 7.290 7.302 -0.012 1 1 499 . 2 1 1 A 52 52 ILE HA H 52 3.100 3.774 -0.674 1 1 509 . 2 1 1 A 52 52 ILE C C 52 174.800 175.193 -0.393 1 1 510 . 2 1 1 A 52 52 ILE CA C 52 65.100 62.266 2.834 1 1 511 . 2 1 1 A 52 52 ILE CB C 52 37.100 37.806 -0.706 1 1 515 . 2 1 1 A 52 52 ILE N N 52 117.700 121.790 -4.090 1 1 516 . 2 1 1 A 53 53 THR H H 53 6.560 8.045 -1.485 1 1 517 . 2 1 1 A 53 53 THR HA H 53 4.720 4.911 -0.191 1 1 522 . 2 1 1 A 53 53 THR C C 53 174.600 176.103 -1.503 1 1 523 . 2 1 1 A 53 53 THR CA C 53 58.500 59.653 -1.153 1 1 524 . 2 1 1 A 53 53 THR CB C 53 72.900 72.238 0.662 1 1 526 . 2 1 1 A 53 53 THR N N 53 117.300 118.331 -1.031 1 1 527 . 2 1 1 A 54 54 ALA H H 54 9.340 9.186 0.154 1 1 528 . 2 1 1 A 54 54 ALA HA H 54 4.460 4.054 0.406 1 1 532 . 2 1 1 A 54 54 ALA C C 54 167.400 179.784 -12.384 1 1 533 . 2 1 1 A 54 54 ALA CA C 54 55.800 55.503 0.297 1 1 534 . 2 1 1 A 54 54 ALA CB C 54 18.200 18.342 -0.142 1 1 535 . 2 1 1 A 54 54 ALA N N 54 123.800 125.003 -1.203 1 1 536 . 2 1 1 A 55 55 SER H H 55 8.530 8.077 0.453 1 1 537 . 2 1 1 A 55 55 SER HA H 55 4.280 4.108 0.172 1 1 541 . 2 1 1 A 55 55 SER C C 55 177.700 176.297 1.403 1 1 542 . 2 1 1 A 55 55 SER CA C 55 61.600 62.274 -0.674 1 1 543 . 2 1 1 A 55 55 SER CB C 55 62.600 63.179 -0.579 1 1 544 . 2 1 1 A 55 55 SER N N 55 112.600 113.985 -1.385 1 1 545 . 2 1 1 A 56 56 LEU H H 56 7.810 7.995 -0.185 1 1 546 . 2 1 1 A 56 56 LEU HA H 56 4.280 4.052 0.228 1 1 556 . 2 1 1 A 56 56 LEU C C 56 168.100 179.783 -11.683 1 1 557 . 2 1 1 A 56 56 LEU CA C 56 57.900 57.830 0.070 1 1 558 . 2 1 1 A 56 56 LEU CB C 56 42.100 41.060 1.040 1 1 562 . 2 1 1 A 56 56 LEU N N 56 122.500 120.726 1.774 1 1 563 . 2 1 1 A 57 57 LEU H H 57 8.490 8.243 0.247 1 1 564 . 2 1 1 A 57 57 LEU HA H 57 4.180 4.152 0.028 1 1 574 . 2 1 1 A 57 57 LEU C C 57 178.000 179.318 -1.318 1 1 575 . 2 1 1 A 57 57 LEU CA C 57 58.300 58.270 0.030 1 1 576 . 2 1 1 A 57 57 LEU CB C 57 41.200 40.990 0.210 1 1 580 . 2 1 1 A 57 57 LEU N N 57 123.900 120.141 3.759 1 1 581 . 2 1 1 A 58 58 GLN H H 58 8.500 8.344 0.156 1 1 582 . 2 1 1 A 58 58 GLN HA H 58 3.680 4.101 -0.421 1 1 589 . 2 1 1 A 58 58 GLN C C 58 178.200 179.061 -0.861 1 1 590 . 2 1 1 A 58 58 GLN CA C 58 60.200 59.278 0.922 1 1 591 . 2 1 1 A 58 58 GLN CB C 58 28.500 28.053 0.447 1 1 593 . 2 1 1 A 58 58 GLN N N 58 118.800 118.400 0.400 1 1 595 . 2 1 1 A 59 59 GLN H H 59 8.300 7.761 0.539 1 1 596 . 2 1 1 A 59 59 GLN HA H 59 4.090 4.115 -0.025 1 1 601 . 2 1 1 A 59 59 GLN C C 59 179.900 178.709 1.191 1 1 602 . 2 1 1 A 59 59 GLN CA C 59 58.900 58.575 0.325 1 1 603 . 2 1 1 A 59 59 GLN CB C 59 28.800 28.404 0.396 1 1 605 . 2 1 1 A 59 59 GLN N N 59 118.600 119.838 -1.238 1 1 606 . 2 1 1 A 60 60 ALA H H 60 7.850 8.494 -0.644 1 1 607 . 2 1 1 A 60 60 ALA HA H 60 3.580 4.011 -0.431 1 1 611 . 2 1 1 A 60 60 ALA C C 60 176.700 180.123 -3.423 1 1 612 . 2 1 1 A 60 60 ALA CA C 60 54.700 54.521 0.179 1 1 613 . 2 1 1 A 60 60 ALA CB C 60 17.400 18.055 -0.655 1 1 614 . 2 1 1 A 60 60 ALA N N 60 122.500 122.391 0.109 1 1 615 . 2 1 1 A 61 61 ALA H H 61 7.540 7.579 -0.039 1 1 616 . 2 1 1 A 61 61 ALA HA H 61 3.970 4.183 -0.213 1 1 620 . 2 1 1 A 61 61 ALA C C 61 176.300 177.931 -1.631 1 1 621 . 2 1 1 A 61 61 ALA CA C 61 52.400 52.499 -0.099 1 1 622 . 2 1 1 A 61 61 ALA CB C 61 19.100 19.626 -0.526 1 1 623 . 2 1 1 A 61 61 ALA N N 61 113.700 118.117 -4.417 1 1 624 . 2 1 1 A 62 62 GLY H H 62 7.600 7.890 -0.290 1 1 625 . 2 1 1 A 62 62 GLY HA2 H 62 3.890 3.951 -0.061 1 1 626 . 2 1 1 A 62 62 GLY HA3 H 62 3.980 3.963 0.017 1 1 627 . 2 1 1 A 62 62 GLY C C 62 175.400 175.434 -0.034 1 1 628 . 2 1 1 A 62 62 GLY CA C 62 45.800 46.646 -0.846 1 1 629 . 2 1 1 A 62 62 GLY N N 62 104.800 107.121 -2.321 1 1 630 . 2 1 1 A 63 63 LEU H H 63 7.770 8.085 -0.315 1 1 631 . 2 1 1 A 63 63 LEU HA H 63 4.430 4.375 0.055 1 1 640 . 2 1 1 A 63 63 LEU C C 63 176.400 175.436 0.964 1 1 641 . 2 1 1 A 63 63 LEU CA C 63 54.000 54.635 -0.635 1 1 642 . 2 1 1 A 63 63 LEU CB C 63 42.500 41.670 0.830 1 1 645 . 2 1 1 A 63 63 LEU N N 63 119.100 117.590 1.510 1 1 646 . 2 1 1 A 64 64 ALA H H 64 8.060 7.647 0.413 1 1 647 . 2 1 1 A 64 64 ALA HA H 64 4.160 4.763 -0.603 1 1 651 . 2 1 1 A 64 64 ALA C C 64 177.300 175.646 1.654 1 1 652 . 2 1 1 A 64 64 ALA CA C 64 52.700 50.979 1.721 1 1 653 . 2 1 1 A 64 64 ALA CB C 64 19.700 21.854 -2.154 1 1 654 . 2 1 1 A 64 64 ALA N N 64 122.900 120.938 1.962 1 1 655 . 2 1 1 A 65 65 GLU H H 65 8.260 8.825 -0.565 1 1 656 . 2 1 1 A 65 65 GLU C C 65 176.300 175.488 0.812 1 1 657 . 2 1 1 A 65 65 GLU CA C 65 56.400 56.106 0.294 1 1 658 . 2 1 1 A 65 65 GLU CB C 65 30.100 30.256 -0.156 1 1 659 . 2 1 1 A 65 65 GLU N N 65 118.900 123.474 -4.574 1 1 660 . 2 1 1 A 66 66 VAL H H 66 7.960 8.591 -0.631 1 1 661 . 2 1 1 A 66 66 VAL HA H 66 4.020 4.323 -0.303 1 1 663 . 2 1 1 A 66 66 VAL C C 66 175.900 175.215 0.685 1 1 664 . 2 1 1 A 66 66 VAL CA C 66 62.300 62.742 -0.442 1 1 665 . 2 1 1 A 66 66 VAL CB C 66 32.800 31.031 1.769 1 1 666 . 2 1 1 A 66 66 VAL N N 66 121.500 126.057 -4.557 1 1 667 . 2 1 1 A 67 67 VAL H H 67 8.210 8.766 -0.556 1 1 668 . 2 1 1 A 67 67 VAL C C 67 175.800 175.438 0.362 1 1 669 . 2 1 1 A 67 67 VAL CA C 67 62.200 59.576 2.624 1 1 670 . 2 1 1 A 67 67 VAL CB C 67 32.600 34.853 -2.253 1 1 671 . 2 1 1 A 67 67 VAL N N 67 124.900 126.089 -1.189 1 1 672 . 2 1 1 A 68 68 ARG H H 68 8.380 8.824 -0.444 1 1 673 . 2 1 1 A 68 68 ARG HA H 68 4.270 4.368 -0.098 1 1 674 . 2 1 1 A 68 68 ARG C C 68 175.400 176.087 -0.687 1 1 675 . 2 1 1 A 68 68 ARG CA C 68 55.700 56.700 -1.000 1 1 676 . 2 1 1 A 68 68 ARG CB C 68 31.100 30.634 0.466 1 1 677 . 2 1 1 A 68 68 ARG N N 68 125.900 125.312 0.588 1 1 678 . 2 1 1 A 69 69 ASP H H 69 8.390 7.725 0.665 1 1 679 . 2 1 1 A 69 69 ASP HA H 69 4.800 4.947 -0.147 1 1 682 . 2 1 1 A 69 69 ASP CA C 69 51.700 50.533 1.167 1 1 683 . 2 1 1 A 69 69 ASP CB C 69 41.700 41.788 -0.088 1 1 684 . 2 1 1 A 69 69 ASP N N 69 123.600 120.963 2.637 1 1 685 . 2 1 1 A 70 70 PRO HA H 70 4.290 4.474 -0.184 1 1 688 . 2 1 1 A 70 70 PRO C C 70 177.500 176.784 0.716 1 1 689 . 2 1 1 A 70 70 PRO CA C 70 64.100 63.838 0.262 1 1 690 . 2 1 1 A 70 70 PRO CB C 70 32.300 32.871 -0.571 1 1 691 . 2 1 1 A 71 71 LEU H H 71 8.280 7.400 0.880 1 1 692 . 2 1 1 A 71 71 LEU HA H 71 4.260 3.960 0.300 1 1 698 . 2 1 1 A 71 71 LEU C C 71 177.600 175.909 1.691 1 1 699 . 2 1 1 A 71 71 LEU CA C 71 55.100 57.248 -2.148 1 1 700 . 2 1 1 A 71 71 LEU CB C 71 41.200 41.917 -0.717 1 1 702 . 2 1 1 A 71 71 LEU N N 71 118.400 118.026 0.374 1 1 703 . 2 1 1 A 72 72 ALA H H 72 7.660 7.896 -0.236 1 1 704 . 2 1 1 A 72 72 ALA HA H 72 4.170 3.957 0.213 1 1 708 . 2 1 1 A 72 72 ALA C C 72 177.400 177.114 0.286 1 1 709 . 2 1 1 A 72 72 ALA CA C 72 52.600 52.706 -0.106 1 1 710 . 2 1 1 A 72 72 ALA CB C 72 19.200 17.124 2.076 1 1 711 . 2 1 1 A 72 72 ALA N N 72 122.900 119.299 3.601 1 1 712 . 2 1 1 A 73 73 PHE H H 73 7.940 7.819 0.121 1 1 713 . 2 1 1 A 73 73 PHE HA H 73 4.510 4.269 0.241 1 1 717 . 2 1 1 A 73 73 PHE C C 73 175.600 178.221 -2.621 1 1 718 . 2 1 1 A 73 73 PHE CA C 73 57.800 61.035 -3.235 1 1 719 . 2 1 1 A 73 73 PHE CB C 73 39.100 38.781 0.319 1 1 720 . 2 1 1 A 73 73 PHE N N 73 118.200 118.098 0.102 1 1 721 . 2 1 1 A 74 74 LEU H H 74 7.890 7.801 0.089 1 1 722 . 2 1 1 A 74 74 LEU CA C 74 55.200 55.712 -0.512 1 1 723 . 2 1 1 A 74 74 LEU CB C 74 42.400 42.137 0.263 1 1 724 . 2 1 1 A 74 74 LEU N N 74 122.600 119.008 3.592 1 1 725 . 2 1 1 A 78 78 GLU C C 78 176.600 175.195 1.405 1 1 726 . 2 1 1 A 78 78 GLU CA C 78 57.500 55.559 1.941 1 1 727 . 2 1 1 A 78 78 GLU CB C 78 30.100 30.717 -0.617 1 1 728 . 2 1 1 A 79 79 ALA H H 79 8.460 8.522 -0.062 1 1 729 . 2 1 1 A 79 79 ALA C C 79 178.300 178.199 0.101 1 1 730 . 2 1 1 A 79 79 ALA CA C 79 52.900 52.343 0.557 1 1 731 . 2 1 1 A 79 79 ALA CB C 79 19.200 19.206 -0.006 1 1 732 . 2 1 1 A 79 79 ALA N N 79 124.700 128.511 -3.811 1 1 733 . 2 1 1 A 80 80 GLY H H 80 8.330 8.530 -0.200 1 1 734 . 2 1 1 A 80 80 GLY C C 80 174.100 175.666 -1.566 1 1 735 . 2 1 1 A 80 80 GLY CA C 80 45.100 45.753 -0.653 1 1 736 . 2 1 1 A 80 80 GLY N N 80 108.200 114.511 -6.311 1 1 737 . 2 1 1 A 81 81 ALA H H 81 8.140 8.406 -0.266 1 1 738 . 2 1 1 A 81 81 ALA HA H 81 4.170 4.176 -0.006 1 1 739 . 2 1 1 A 81 81 ALA C C 81 178.400 178.811 -0.411 1 1 740 . 2 1 1 A 81 81 ALA CA C 81 52.800 53.722 -0.922 1 1 741 . 2 1 1 A 81 81 ALA CB C 81 19.200 18.534 0.666 1 1 742 . 2 1 1 A 81 81 ALA N N 81 123.600 123.288 0.312 1 1 743 . 2 1 1 A 82 82 GLY H H 82 8.400 8.105 0.295 1 1 744 . 2 1 1 A 82 82 GLY HA2 H 82 3.860 3.923 -0.063 1 1 745 . 2 1 1 A 82 82 GLY HA3 H 82 2.880 3.923 -1.043 1 1 746 . 2 1 1 A 82 82 GLY C C 82 173.600 173.615 -0.015 1 1 747 . 2 1 1 A 82 82 GLY CA C 82 45.200 45.898 -0.698 1 1 748 . 2 1 1 A 82 82 GLY N N 82 108.000 105.792 2.208 1 1 749 . 2 1 1 A 83 83 ALA H H 83 7.980 7.665 0.315 1 1 750 . 2 1 1 A 83 83 ALA HA H 83 4.280 4.735 -0.455 1 1 754 . 2 1 1 A 83 83 ALA C C 83 177.200 175.067 2.133 1 1 755 . 2 1 1 A 83 83 ALA CA C 83 52.100 51.257 0.843 1 1 756 . 2 1 1 A 83 83 ALA CB C 83 19.500 23.315 -3.815 1 1 757 . 2 1 1 A 83 83 ALA N N 83 123.300 121.751 1.549 1 1 758 . 2 1 1 A 84 84 ARG H H 84 8.240 8.486 -0.246 1 1 759 . 2 1 1 A 84 84 ARG HA H 84 4.610 4.798 -0.188 1 1 762 . 2 1 1 A 84 84 ARG CA C 84 54.000 52.813 1.187 1 1 763 . 2 1 1 A 84 84 ARG CB C 84 30.500 31.334 -0.834 1 1 764 . 2 1 1 A 84 84 ARG N N 84 121.700 117.834 3.866 1 1 765 . 2 1 1 A 85 85 PRO HA H 85 4.390 4.494 -0.104 1 1 770 . 2 1 1 A 85 85 PRO C C 85 177.000 177.138 -0.138 1 1 771 . 2 1 1 A 85 85 PRO CA C 85 62.900 64.056 -1.156 1 1 772 . 2 1 1 A 85 85 PRO CB C 85 32.200 32.034 0.166 1 1 773 . 2 1 1 A 86 86 ALA H H 86 8.600 8.335 0.265 1 1 774 . 2 1 1 A 86 86 ALA HA H 86 4.150 4.189 -0.039 1 1 778 . 2 1 1 A 86 86 ALA C C 86 177.800 178.662 -0.862 1 1 779 . 2 1 1 A 86 86 ALA CA C 86 53.400 53.997 -0.597 1 1 780 . 2 1 1 A 86 86 ALA CB C 86 18.900 18.432 0.468 1 1 781 . 2 1 1 A 86 86 ALA N N 86 124.900 123.676 1.224 1 1 782 . 2 1 1 A 87 87 ASN H H 87 8.380 7.654 0.726 1 1 783 . 2 1 1 A 87 87 ASN HA H 87 4.590 4.826 -0.236 1 1 786 . 2 1 1 A 87 87 ASN C C 87 174.400 175.293 -0.893 1 1 787 . 2 1 1 A 87 87 ASN CA C 87 52.600 53.720 -1.120 1 1 788 . 2 1 1 A 87 87 ASN CB C 87 38.300 38.838 -0.538 1 1 789 . 2 1 1 A 87 87 ASN N N 87 114.900 114.495 0.405 1 1 790 . 2 1 1 A 88 88 ALA H H 88 7.800 7.279 0.521 1 1 791 . 2 1 1 A 88 88 ALA HA H 88 4.400 4.517 -0.117 1 1 795 . 2 1 1 A 88 88 ALA CA C 88 50.400 50.422 -0.022 1 1 796 . 2 1 1 A 88 88 ALA CB C 88 17.900 19.630 -1.730 1 1 797 . 2 1 1 A 88 88 ALA N N 88 123.600 122.879 0.721 1 1 798 . 2 1 1 A 89 89 PRO HA H 89 4.390 4.498 -0.108 1 1 805 . 2 1 1 A 89 89 PRO C C 89 175.000 177.424 -2.424 1 1 806 . 2 1 1 A 89 89 PRO CA C 89 62.400 63.123 -0.723 1 1 807 . 2 1 1 A 89 89 PRO CB C 89 31.700 32.369 -0.669 1 1 810 . 2 1 1 A 90 90 GLU H H 90 9.000 8.585 0.415 1 1 811 . 2 1 1 A 90 90 GLU HA H 90 4.310 4.329 -0.019 1 1 814 . 2 1 1 A 90 90 GLU C C 90 177.300 175.914 1.386 1 1 815 . 2 1 1 A 90 90 GLU CA C 90 58.000 58.540 -0.540 1 1 816 . 2 1 1 A 90 90 GLU CB C 90 31.400 30.933 0.467 1 1 817 . 2 1 1 A 90 90 GLU N N 90 117.700 122.473 -4.773 1 1 818 . 2 1 1 A 91 91 VAL H H 91 7.310 7.662 -0.352 1 1 819 . 2 1 1 A 91 91 VAL HA H 91 4.570 4.989 -0.419 1 1 827 . 2 1 1 A 91 91 VAL C C 91 171.000 173.123 -2.123 1 1 828 . 2 1 1 A 91 91 VAL CA C 91 59.700 60.022 -0.322 1 1 829 . 2 1 1 A 91 91 VAL CB C 91 35.600 35.446 0.154 1 1 832 . 2 1 1 A 91 91 VAL N N 91 115.900 117.698 -1.798 1 1 833 . 2 1 1 A 92 92 LEU H H 92 8.700 9.690 -0.990 1 1 834 . 2 1 1 A 92 92 LEU HA H 92 4.950 5.372 -0.422 1 1 844 . 2 1 1 A 92 92 LEU C C 92 174.300 174.553 -0.253 1 1 845 . 2 1 1 A 92 92 LEU CA C 92 52.700 53.320 -0.620 1 1 846 . 2 1 1 A 92 92 LEU CB C 92 44.100 45.159 -1.059 1 1 850 . 2 1 1 A 92 92 LEU N N 92 128.500 129.408 -0.908 1 1 851 . 2 1 1 A 93 93 LEU H H 93 8.770 9.629 -0.859 1 1 852 . 2 1 1 A 93 93 LEU HA H 93 4.910 5.326 -0.416 1 1 862 . 2 1 1 A 93 93 LEU C C 93 174.900 175.403 -0.503 1 1 863 . 2 1 1 A 93 93 LEU CA C 93 52.600 53.391 -0.791 1 1 864 . 2 1 1 A 93 93 LEU CB C 93 44.300 42.779 1.521 1 1 868 . 2 1 1 A 93 93 LEU N N 93 127.300 128.746 -1.446 1 1 869 . 2 1 1 A 94 94 VAL H H 94 8.800 9.139 -0.339 1 1 870 . 2 1 1 A 94 94 VAL HA H 94 4.880 4.726 0.154 1 1 878 . 2 1 1 A 94 94 VAL C C 94 175.000 175.271 -0.271 1 1 879 . 2 1 1 A 94 94 VAL CA C 94 60.000 60.828 -0.828 1 1 880 . 2 1 1 A 94 94 VAL CB C 94 33.900 33.522 0.378 1 1 883 . 2 1 1 A 94 94 VAL N N 94 122.000 126.276 -4.276 1 1 884 . 2 1 1 A 95 95 GLY H H 95 9.730 9.514 0.216 1 1 885 . 2 1 1 A 95 95 GLY HA2 H 95 3.240 4.065 -0.825 1 1 886 . 2 1 1 A 95 95 GLY HA3 H 95 4.940 4.076 0.864 1 1 887 . 2 1 1 A 95 95 GLY C C 95 175.000 175.053 -0.053 1 1 888 . 2 1 1 A 95 95 GLY CA C 95 45.500 45.296 0.204 1 1 889 . 2 1 1 A 95 95 GLY N N 95 114.000 116.394 -2.394 1 1 890 . 2 1 1 A 96 96 THR H H 96 9.320 8.653 0.667 1 1 891 . 2 1 1 A 96 96 THR HA H 96 4.210 4.564 -0.354 1 1 896 . 2 1 1 A 96 96 THR C C 96 173.000 175.160 -2.160 1 1 897 . 2 1 1 A 96 96 THR CA C 96 61.800 62.370 -0.570 1 1 898 . 2 1 1 A 96 96 THR CB C 96 67.600 69.171 -1.571 1 1 900 . 2 1 1 A 96 96 THR N N 96 113.800 115.758 -1.958 1 1 901 . 2 1 1 A 97 97 GLY H H 97 8.600 7.846 0.754 1 1 902 . 2 1 1 A 97 97 GLY HA2 H 97 3.580 3.871 -0.291 1 1 903 . 2 1 1 A 97 97 GLY HA3 H 97 4.500 3.886 0.614 1 1 904 . 2 1 1 A 97 97 GLY C C 97 174.800 175.247 -0.447 1 1 905 . 2 1 1 A 97 97 GLY CA C 97 44.000 47.321 -3.321 1 1 906 . 2 1 1 A 97 97 GLY N N 97 110.900 111.907 -1.007 1 1 907 . 2 1 1 A 98 98 ARG H H 98 9.400 8.276 1.124 1 1 908 . 2 1 1 A 98 98 ARG HA H 98 4.110 4.079 0.031 1 1 911 . 2 1 1 A 98 98 ARG C C 98 175.700 176.414 -0.714 1 1 912 . 2 1 1 A 98 98 ARG CA C 98 58.800 58.564 0.236 1 1 913 . 2 1 1 A 98 98 ARG CB C 98 30.700 30.753 -0.053 1 1 914 . 2 1 1 A 98 98 ARG N N 98 125.500 126.388 -0.888 1 1 915 . 2 1 1 A 99 99 ARG H H 99 8.180 7.804 0.376 1 1 916 . 2 1 1 A 99 99 ARG HA H 99 4.640 4.695 -0.055 1 1 919 . 2 1 1 A 99 99 ARG C C 99 175.000 174.777 0.223 1 1 920 . 2 1 1 A 99 99 ARG CA C 99 53.100 54.704 -1.604 1 1 921 . 2 1 1 A 99 99 ARG CB C 99 33.200 33.651 -0.451 1 1 922 . 2 1 1 A 99 99 ARG N N 99 114.300 117.506 -3.206 1 1 923 . 2 1 1 A 100 100 GLN H H 100 8.710 8.547 0.163 1 1 924 . 2 1 1 A 100 100 GLN HA H 100 3.620 4.694 -1.074 1 1 929 . 2 1 1 A 100 100 GLN C C 100 173.900 174.704 -0.804 1 1 930 . 2 1 1 A 100 100 GLN CA C 100 56.400 55.859 0.541 1 1 931 . 2 1 1 A 100 100 GLN CB C 100 29.600 28.555 1.045 1 1 933 . 2 1 1 A 100 100 GLN N N 100 121.700 123.353 -1.653 1 1 934 . 2 1 1 A 101 101 HIS H H 101 7.900 8.902 -1.002 1 1 935 . 2 1 1 A 101 101 HIS HA H 101 4.530 5.034 -0.504 1 1 939 . 2 1 1 A 101 101 HIS C C 101 173.100 174.202 -1.102 1 1 940 . 2 1 1 A 101 101 HIS CA C 101 55.100 54.291 0.809 1 1 941 . 2 1 1 A 101 101 HIS CB C 101 32.100 30.926 1.174 1 1 942 . 2 1 1 A 101 101 HIS N N 101 130.600 127.860 2.740 1 1 943 . 2 1 1 A 102 102 LEU H H 102 8.080 8.273 -0.193 1 1 944 . 2 1 1 A 102 102 LEU HA H 102 4.060 4.076 -0.016 1 1 948 . 2 1 1 A 102 102 LEU C C 102 177.200 177.256 -0.056 1 1 949 . 2 1 1 A 102 102 LEU CA C 102 54.900 55.532 -0.632 1 1 950 . 2 1 1 A 102 102 LEU CB C 102 41.600 41.817 -0.217 1 1 951 . 2 1 1 A 102 102 LEU N N 102 121.400 128.539 -7.139 1 1 952 . 2 1 1 A 103 103 LEU H H 103 8.260 8.491 -0.231 1 1 953 . 2 1 1 A 103 103 LEU HA H 103 4.490 4.557 -0.067 1 1 963 . 2 1 1 A 103 103 LEU C C 103 177.100 176.984 0.116 1 1 964 . 2 1 1 A 103 103 LEU CA C 103 53.400 54.192 -0.792 1 1 965 . 2 1 1 A 103 103 LEU CB C 103 42.600 42.578 0.022 1 1 969 . 2 1 1 A 103 103 LEU N N 103 123.000 124.422 -1.422 1 1 970 . 2 1 1 A 104 104 GLY H H 104 8.820 8.917 -0.097 1 1 971 . 2 1 1 A 104 104 GLY HA2 H 104 3.930 4.266 -0.336 1 1 972 . 2 1 1 A 104 104 GLY HA3 H 104 4.440 4.286 0.154 1 1 973 . 2 1 1 A 104 104 GLY CA C 104 44.500 43.837 0.663 1 1 974 . 2 1 1 A 104 104 GLY N N 104 110.200 107.443 2.757 1 1 975 . 2 1 1 A 105 105 PRO HA H 105 4.230 4.225 0.005 1 1 978 . 2 1 1 A 105 105 PRO C C 105 178.900 178.815 0.085 1 1 979 . 2 1 1 A 105 105 PRO CA C 105 65.200 65.239 -0.039 1 1 980 . 2 1 1 A 105 105 PRO CB C 105 31.900 31.774 0.126 1 1 981 . 2 1 1 A 106 106 GLU H H 106 9.150 8.522 0.628 1 1 982 . 2 1 1 A 106 106 GLU HA H 106 4.080 4.026 0.054 1 1 987 . 2 1 1 A 106 106 GLU C C 106 178.500 179.229 -0.729 1 1 988 . 2 1 1 A 106 106 GLU CA C 106 58.600 59.386 -0.786 1 1 989 . 2 1 1 A 106 106 GLU CB C 106 28.500 28.851 -0.351 1 1 991 . 2 1 1 A 106 106 GLU N N 106 115.400 117.374 -1.974 1 1 992 . 2 1 1 A 107 107 GLN H H 107 7.680 7.666 0.014 1 1 993 . 2 1 1 A 107 107 GLN HA H 107 4.160 4.152 0.008 1 1 998 . 2 1 1 A 107 107 GLN C C 107 175.200 177.789 -2.589 1 1 999 . 2 1 1 A 107 107 GLN CA C 107 58.500 58.418 0.082 1 1 1000 . 2 1 1 A 107 107 GLN CB C 107 29.400 28.839 0.561 1 1 1002 . 2 1 1 A 107 107 GLN N N 107 116.100 119.323 -3.223 1 1 1003 . 2 1 1 A 108 108 VAL H H 108 7.080 7.355 -0.275 1 1 1004 . 2 1 1 A 108 108 VAL HA H 108 4.270 4.060 0.210 1 1 1012 . 2 1 1 A 108 108 VAL C C 108 177.500 177.519 -0.019 1 1 1013 . 2 1 1 A 108 108 VAL CA C 108 62.000 63.196 -1.196 1 1 1014 . 2 1 1 A 108 108 VAL CB C 108 33.000 31.975 1.025 1 1 1017 . 2 1 1 A 108 108 VAL N N 108 104.800 115.109 -10.309 1 1 1018 . 2 1 1 A 109 109 ARG H H 109 8.220 7.693 0.527 1 1 1019 . 2 1 1 A 109 109 ARG HA H 109 4.060 4.112 -0.052 1 1 1024 . 2 1 1 A 109 109 ARG CA C 109 61.700 61.125 0.575 1 1 1025 . 2 1 1 A 109 109 ARG CB C 109 27.600 28.936 -1.336 1 1 1027 . 2 1 1 A 109 109 ARG N N 109 123.100 122.557 0.543 1 1 1028 . 2 1 1 A 110 110 PRO HA H 110 4.290 4.339 -0.049 1 1 1035 . 2 1 1 A 110 110 PRO C C 110 173.000 179.310 -6.310 1 1 1036 . 2 1 1 A 110 110 PRO CA C 110 65.800 65.919 -0.119 1 1 1037 . 2 1 1 A 110 110 PRO CB C 110 31.400 30.970 0.430 1 1 1040 . 2 1 1 A 111 111 LEU H H 111 7.080 7.644 -0.564 1 1 1041 . 2 1 1 A 111 111 LEU HA H 111 4.050 4.046 0.004 1 1 1051 . 2 1 1 A 111 111 LEU C C 111 178.800 179.125 -0.325 1 1 1052 . 2 1 1 A 111 111 LEU CA C 111 57.400 57.482 -0.082 1 1 1053 . 2 1 1 A 111 111 LEU CB C 111 40.100 41.347 -1.247 1 1 1056 . 2 1 1 A 111 111 LEU N N 111 117.700 117.099 0.601 1 1 1057 . 2 1 1 A 112 112 LEU H H 112 7.950 8.598 -0.648 1 1 1058 . 2 1 1 A 112 112 LEU HA H 112 4.050 3.975 0.075 1 1 1068 . 2 1 1 A 112 112 LEU C C 112 169.000 179.571 -10.571 1 1 1069 . 2 1 1 A 112 112 LEU CA C 112 58.000 57.807 0.193 1 1 1070 . 2 1 1 A 112 112 LEU CB C 112 41.100 40.525 0.575 1 1 1074 . 2 1 1 A 112 112 LEU N N 112 121.700 118.581 3.119 1 1 1075 . 2 1 1 A 113 113 ALA H H 113 8.230 8.332 -0.102 1 1 1076 . 2 1 1 A 113 113 ALA HA H 113 4.110 4.049 0.061 1 1 1080 . 2 1 1 A 113 113 ALA C C 113 178.700 180.177 -1.477 1 1 1081 . 2 1 1 A 113 113 ALA CA C 113 54.400 55.058 -0.658 1 1 1082 . 2 1 1 A 113 113 ALA CB C 113 18.100 18.078 0.022 1 1 1083 . 2 1 1 A 113 113 ALA N N 113 120.900 122.583 -1.683 1 1 1084 . 2 1 1 A 114 114 MET H H 114 7.270 7.879 -0.609 1 1 1085 . 2 1 1 A 114 114 MET HA H 114 4.490 4.397 0.093 1 1 1093 . 2 1 1 A 114 114 MET C C 114 175.100 176.297 -1.197 1 1 1094 . 2 1 1 A 114 114 MET CA C 114 55.100 56.332 -1.232 1 1 1095 . 2 1 1 A 114 114 MET CB C 114 33.700 32.773 0.927 1 1 1098 . 2 1 1 A 114 114 MET N N 114 115.100 115.879 -0.779 1 1 1099 . 2 1 1 A 115 115 GLY H H 115 7.830 8.016 -0.186 1 1 1100 . 2 1 1 A 115 115 GLY HA2 H 115 3.660 4.075 -0.415 1 1 1101 . 2 1 1 A 115 115 GLY HA3 H 115 4.060 4.075 -0.015 1 1 1102 . 2 1 1 A 115 115 GLY C C 115 173.700 174.256 -0.556 1 1 1103 . 2 1 1 A 115 115 GLY CA C 115 45.600 44.876 0.724 1 1 1104 . 2 1 1 A 115 115 GLY N N 115 106.300 106.312 -0.012 1 1 1105 . 2 1 1 A 116 116 VAL H H 116 7.710 8.022 -0.312 1 1 1106 . 2 1 1 A 116 116 VAL HA H 116 3.820 4.009 -0.189 1 1 1114 . 2 1 1 A 116 116 VAL C C 116 174.800 175.395 -0.595 1 1 1115 . 2 1 1 A 116 116 VAL CA C 116 61.200 62.633 -1.433 1 1 1116 . 2 1 1 A 116 116 VAL CB C 116 32.800 31.943 0.857 1 1 1119 . 2 1 1 A 116 116 VAL N N 116 123.600 122.214 1.386 1 1 1120 . 2 1 1 A 117 117 GLY H H 117 7.730 9.052 -1.322 1 1 1121 . 2 1 1 A 117 117 GLY HA2 H 117 3.570 4.048 -0.478 1 1 1122 . 2 1 1 A 117 117 GLY HA3 H 117 4.040 4.049 -0.009 1 1 1123 . 2 1 1 A 117 117 GLY C C 117 172.600 172.524 0.076 1 1 1124 . 2 1 1 A 117 117 GLY CA C 117 45.500 45.142 0.358 1 1 1125 . 2 1 1 A 117 117 GLY N N 117 111.400 115.350 -3.950 1 1 1126 . 2 1 1 A 118 118 VAL H H 118 7.740 8.879 -1.139 1 1 1127 . 2 1 1 A 118 118 VAL HA H 118 5.100 5.036 0.064 1 1 1135 . 2 1 1 A 118 118 VAL C C 118 175.500 175.192 0.308 1 1 1136 . 2 1 1 A 118 118 VAL CA C 118 61.000 61.046 -0.046 1 1 1137 . 2 1 1 A 118 118 VAL CB C 118 34.300 34.008 0.292 1 1 1140 . 2 1 1 A 118 118 VAL N N 118 120.900 124.896 -3.996 1 1 1141 . 2 1 1 A 119 119 GLU H H 119 8.490 8.922 -0.432 1 1 1142 . 2 1 1 A 119 119 GLU HA H 119 4.630 5.081 -0.451 1 1 1147 . 2 1 1 A 119 119 GLU C C 119 173.500 175.106 -1.606 1 1 1148 . 2 1 1 A 119 119 GLU CA C 119 54.600 54.578 0.022 1 1 1149 . 2 1 1 A 119 119 GLU CB C 119 32.300 33.330 -1.030 1 1 1151 . 2 1 1 A 119 119 GLU N N 119 127.000 125.598 1.402 1 1 1152 . 2 1 1 A 120 120 ALA H H 120 8.600 9.057 -0.457 1 1 1153 . 2 1 1 A 120 120 ALA HA H 120 5.530 5.561 -0.031 1 1 1157 . 2 1 1 A 120 120 ALA C C 120 177.100 176.615 0.485 1 1 1158 . 2 1 1 A 120 120 ALA CA C 120 50.300 50.343 -0.043 1 1 1159 . 2 1 1 A 120 120 ALA CB C 120 20.800 21.246 -0.446 1 1 1160 . 2 1 1 A 120 120 ALA N N 120 126.500 126.253 0.247 1 1 1161 . 2 1 1 A 121 121 MET H H 121 9.430 9.241 0.189 1 1 1162 . 2 1 1 A 121 121 MET HA H 121 4.630 4.874 -0.244 1 1 1170 . 2 1 1 A 121 121 MET C C 121 173.300 175.068 -1.768 1 1 1171 . 2 1 1 A 121 121 MET CA C 121 54.600 54.206 0.394 1 1 1172 . 2 1 1 A 121 121 MET CB C 121 36.800 37.150 -0.350 1 1 1175 . 2 1 1 A 121 121 MET N N 121 120.400 120.229 0.171 1 1 1176 . 2 1 1 A 122 122 ASP H H 122 8.460 8.719 -0.259 1 1 1177 . 2 1 1 A 122 122 ASP HA H 122 4.170 4.683 -0.513 1 1 1180 . 2 1 1 A 122 122 ASP C C 122 175.200 177.765 -2.565 1 1 1181 . 2 1 1 A 122 122 ASP CA C 122 55.000 54.688 0.312 1 1 1182 . 2 1 1 A 122 122 ASP CB C 122 41.000 41.773 -0.773 1 1 1183 . 2 1 1 A 122 122 ASP N N 122 116.700 120.559 -3.859 1 1 1184 . 2 1 1 A 123 123 THR H H 123 9.580 8.745 0.835 1 1 1185 . 2 1 1 A 123 123 THR HA H 123 3.670 3.873 -0.203 1 1 1191 . 2 1 1 A 123 123 THR C C 123 174.400 176.292 -1.892 1 1 1192 . 2 1 1 A 123 123 THR CA C 123 68.700 66.721 1.979 1 1 1193 . 2 1 1 A 123 123 THR CB C 123 68.800 68.783 0.017 1 1 1195 . 2 1 1 A 123 123 THR N N 123 119.600 117.216 2.384 1 1 1196 . 2 1 1 A 124 124 GLN H H 124 8.580 7.743 0.837 1 1 1197 . 2 1 1 A 124 124 GLN HA H 124 3.240 3.815 -0.575 1 1 1202 . 2 1 1 A 124 124 GLN C C 124 177.700 178.073 -0.373 1 1 1203 . 2 1 1 A 124 124 GLN CA C 124 60.100 58.434 1.666 1 1 1204 . 2 1 1 A 124 124 GLN CB C 124 27.400 28.026 -0.626 1 1 1206 . 2 1 1 A 124 124 GLN N N 124 121.500 118.663 2.837 1 1 1207 . 2 1 1 A 125 125 ALA H H 125 8.210 7.994 0.216 1 1 1208 . 2 1 1 A 125 125 ALA HA H 125 3.960 4.165 -0.205 1 1 1212 . 2 1 1 A 125 125 ALA C C 125 167.800 179.960 -12.160 1 1 1213 . 2 1 1 A 125 125 ALA CA C 125 54.800 54.904 -0.104 1 1 1214 . 2 1 1 A 125 125 ALA CB C 125 18.700 18.018 0.682 1 1 1215 . 2 1 1 A 125 125 ALA N N 125 122.600 122.443 0.157 1 1 1216 . 2 1 1 A 126 126 ALA H H 126 8.900 8.506 0.394 1 1 1217 . 2 1 1 A 126 126 ALA HA H 126 4.110 4.077 0.033 1 1 1221 . 2 1 1 A 126 126 ALA C C 126 178.500 179.304 -0.804 1 1 1222 . 2 1 1 A 126 126 ALA CA C 126 55.300 54.883 0.417 1 1 1223 . 2 1 1 A 126 126 ALA CB C 126 18.100 18.739 -0.639 1 1 1224 . 2 1 1 A 126 126 ALA N N 126 124.600 120.056 4.544 1 1 1225 . 2 1 1 A 127 127 ALA H H 127 8.440 8.149 0.291 1 1 1226 . 2 1 1 A 127 127 ALA HA H 127 3.850 4.106 -0.256 1 1 1230 . 2 1 1 A 127 127 ALA C C 127 178.400 179.655 -1.255 1 1 1231 . 2 1 1 A 127 127 ALA CA C 127 55.500 55.303 0.197 1 1 1232 . 2 1 1 A 127 127 ALA CB C 127 18.500 18.098 0.402 1 1 1233 . 2 1 1 A 127 127 ALA N N 127 120.200 119.615 0.585 1 1 1234 . 2 1 1 A 128 128 ARG H H 128 7.790 8.054 -0.264 1 1 1235 . 2 1 1 A 128 128 ARG HA H 128 4.020 4.119 -0.099 1 1 1240 . 2 1 1 A 128 128 ARG C C 128 179.400 179.078 0.322 1 1 1241 . 2 1 1 A 128 128 ARG CA C 128 59.600 59.586 0.014 1 1 1242 . 2 1 1 A 128 128 ARG CB C 128 30.800 29.773 1.027 1 1 1244 . 2 1 1 A 128 128 ARG N N 128 115.900 119.429 -3.529 1 1 1245 . 2 1 1 A 129 129 THR H H 129 8.440 8.115 0.325 1 1 1246 . 2 1 1 A 129 129 THR HA H 129 3.770 3.979 -0.209 1 1 1251 . 2 1 1 A 129 129 THR C C 129 175.300 176.024 -0.724 1 1 1252 . 2 1 1 A 129 129 THR CA C 129 67.300 66.338 0.962 1 1 1253 . 2 1 1 A 129 129 THR CB C 129 68.300 68.574 -0.274 1 1 1255 . 2 1 1 A 129 129 THR N N 129 116.400 115.175 1.225 1 1 1256 . 2 1 1 A 130 130 TYR H H 130 8.790 8.493 0.297 1 1 1257 . 2 1 1 A 130 130 TYR HA H 130 3.600 4.146 -0.546 1 1 1262 . 2 1 1 A 130 130 TYR C C 130 175.500 177.366 -1.866 1 1 1263 . 2 1 1 A 130 130 TYR CA C 130 62.600 62.099 0.501 1 1 1264 . 2 1 1 A 130 130 TYR CB C 130 37.500 38.568 -1.068 1 1 1265 . 2 1 1 A 130 130 TYR N N 130 123.500 122.711 0.789 1 1 1266 . 2 1 1 A 131 131 ASN H H 131 7.800 8.404 -0.604 1 1 1267 . 2 1 1 A 131 131 ASN HA H 131 4.220 4.159 0.061 1 1 1270 . 2 1 1 A 131 131 ASN C C 131 179.200 178.136 1.064 1 1 1271 . 2 1 1 A 131 131 ASN CA C 131 55.500 56.494 -0.994 1 1 1272 . 2 1 1 A 131 131 ASN CB C 131 37.100 38.835 -1.735 1 1 1273 . 2 1 1 A 131 131 ASN N N 131 117.700 117.370 0.330 1 1 1274 . 2 1 1 A 132 132 ILE H H 132 7.520 7.709 -0.189 1 1 1275 . 2 1 1 A 132 132 ILE HA H 132 3.710 3.606 0.104 1 1 1285 . 2 1 1 A 132 132 ILE C C 132 178.100 178.187 -0.087 1 1 1286 . 2 1 1 A 132 132 ILE CA C 132 64.900 65.584 -0.684 1 1 1287 . 2 1 1 A 132 132 ILE CB C 132 38.500 38.150 0.350 1 1 1291 . 2 1 1 A 132 132 ILE N N 132 121.000 119.697 1.303 1 1 1292 . 2 1 1 A 133 133 LEU H H 133 8.420 8.460 -0.040 1 1 1293 . 2 1 1 A 133 133 LEU HA H 133 3.910 4.002 -0.092 1 1 1303 . 2 1 1 A 133 133 LEU C C 133 179.600 179.463 0.137 1 1 1304 . 2 1 1 A 133 133 LEU CA C 133 57.900 57.622 0.278 1 1 1305 . 2 1 1 A 133 133 LEU CB C 133 41.700 40.924 0.776 1 1 1309 . 2 1 1 A 133 133 LEU N N 133 120.500 118.382 2.118 1 1 1310 . 2 1 1 A 134 134 MET H H 134 8.990 8.169 0.821 1 1 1311 . 2 1 1 A 134 134 MET HA H 134 3.870 4.042 -0.172 1 1 1319 . 2 1 1 A 134 134 MET C C 134 167.400 177.711 -10.311 1 1 1320 . 2 1 1 A 134 134 MET CA C 134 58.400 58.438 -0.038 1 1 1321 . 2 1 1 A 134 134 MET CB C 134 30.700 32.075 -1.375 1 1 1324 . 2 1 1 A 134 134 MET N N 134 119.900 119.144 0.756 1 1 1325 . 2 1 1 A 135 135 ALA H H 135 7.490 7.596 -0.106 1 1 1326 . 2 1 1 A 135 135 ALA HA H 135 4.060 3.873 0.187 1 1 1330 . 2 1 1 A 135 135 ALA C C 135 179.100 178.936 0.164 1 1 1331 . 2 1 1 A 135 135 ALA CA C 135 54.700 55.467 -0.767 1 1 1332 . 2 1 1 A 135 135 ALA CB C 135 18.000 17.610 0.390 1 1 1333 . 2 1 1 A 135 135 ALA N N 135 124.600 121.250 3.350 1 1 1334 . 2 1 1 A 136 136 GLU H H 136 7.540 8.149 -0.609 1 1 1335 . 2 1 1 A 136 136 GLU HA H 136 4.230 4.181 0.049 1 1 1340 . 2 1 1 A 136 136 GLU C C 136 176.900 176.594 0.306 1 1 1341 . 2 1 1 A 136 136 GLU CA C 136 56.400 58.015 -1.615 1 1 1342 . 2 1 1 A 136 136 GLU CB C 136 30.300 29.813 0.487 1 1 1344 . 2 1 1 A 136 136 GLU N N 136 116.500 117.234 -0.734 1 1 1345 . 2 1 1 A 137 137 GLY H H 137 7.870 8.221 -0.351 1 1 1346 . 2 1 1 A 137 137 GLY HA2 H 137 3.760 3.963 -0.203 1 1 1347 . 2 1 1 A 137 137 GLY HA3 H 137 4.140 3.972 0.168 1 1 1348 . 2 1 1 A 137 137 GLY C C 137 175.100 174.346 0.754 1 1 1349 . 2 1 1 A 137 137 GLY CA C 137 45.600 45.491 0.109 1 1 1350 . 2 1 1 A 137 137 GLY N N 137 107.100 107.592 -0.492 1 1 1351 . 2 1 1 A 138 138 ARG H H 138 7.580 7.939 -0.359 1 1 1352 . 2 1 1 A 138 138 ARG HA H 138 4.270 4.615 -0.345 1 1 1357 . 2 1 1 A 138 138 ARG C C 138 176.900 175.410 1.490 1 1 1358 . 2 1 1 A 138 138 ARG CA C 138 54.500 54.441 0.059 1 1 1359 . 2 1 1 A 138 138 ARG CB C 138 30.100 32.201 -2.101 1 1 1361 . 2 1 1 A 138 138 ARG N N 138 118.100 121.282 -3.182 1 1 1362 . 2 1 1 A 139 139 ARG H H 139 9.240 8.502 0.738 1 1 1363 . 2 1 1 A 139 139 ARG HA H 139 4.470 4.398 0.072 1 1 1370 . 2 1 1 A 139 139 ARG C C 139 174.400 175.129 -0.729 1 1 1371 . 2 1 1 A 139 139 ARG CA C 139 55.700 55.952 -0.252 1 1 1372 . 2 1 1 A 139 139 ARG CB C 139 28.000 28.998 -0.998 1 1 1375 . 2 1 1 A 139 139 ARG N N 139 124.400 124.618 -0.218 1 1 1376 . 2 1 1 A 140 140 VAL H H 140 7.250 8.729 -1.479 1 1 1377 . 2 1 1 A 140 140 VAL HA H 140 5.180 5.110 0.070 1 1 1385 . 2 1 1 A 140 140 VAL C C 140 172.800 174.157 -1.357 1 1 1386 . 2 1 1 A 140 140 VAL CA C 140 57.700 60.299 -2.599 1 1 1387 . 2 1 1 A 140 140 VAL CB C 140 34.700 34.116 0.584 1 1 1390 . 2 1 1 A 140 140 VAL N N 140 121.900 124.700 -2.800 1 1 1391 . 2 1 1 A 141 141 VAL H H 141 8.180 8.993 -0.813 1 1 1392 . 2 1 1 A 141 141 VAL HA H 141 4.510 4.705 -0.195 1 1 1400 . 2 1 1 A 141 141 VAL C C 141 172.600 173.891 -1.291 1 1 1401 . 2 1 1 A 141 141 VAL CA C 141 60.300 60.819 -0.519 1 1 1402 . 2 1 1 A 141 141 VAL CB C 141 35.600 33.964 1.636 1 1 1405 . 2 1 1 A 141 141 VAL N N 141 123.900 129.291 -5.391 1 1 1406 . 2 1 1 A 142 142 VAL H H 142 8.430 8.782 -0.352 1 1 1407 . 2 1 1 A 142 142 VAL HA H 142 5.220 4.922 0.298 1 1 1415 . 2 1 1 A 142 142 VAL C C 142 170.000 172.756 -2.756 1 1 1416 . 2 1 1 A 142 142 VAL CA C 142 57.600 59.018 -1.418 1 1 1417 . 2 1 1 A 142 142 VAL CB C 142 35.500 33.528 1.972 1 1 1420 . 2 1 1 A 142 142 VAL N N 142 124.600 128.283 -3.683 1 1 1421 . 2 1 1 A 143 143 ALA H H 143 8.220 8.999 -0.779 1 1 1422 . 2 1 1 A 143 143 ALA HA H 143 4.680 4.863 -0.183 1 1 1426 . 2 1 1 A 143 143 ALA C C 143 175.400 175.307 0.093 1 1 1427 . 2 1 1 A 143 143 ALA CA C 143 49.900 49.899 0.001 1 1 1428 . 2 1 1 A 143 143 ALA CB C 143 19.600 20.543 -0.943 1 1 1429 . 2 1 1 A 143 143 ALA N N 143 129.100 130.630 -1.530 1 1 1430 . 2 1 1 A 144 144 LEU H H 144 9.070 9.320 -0.250 1 1 1431 . 2 1 1 A 144 144 LEU HA H 144 4.840 4.969 -0.129 1 1 1441 . 2 1 1 A 144 144 LEU CA C 144 53.400 53.443 -0.043 1 1 1442 . 2 1 1 A 144 144 LEU CB C 144 46.500 42.955 3.545 1 1 1445 . 2 1 1 A 144 144 LEU N N 144 119.600 124.046 -4.446 1 1 1446 . 2 1 1 A 145 145 LEU HA H 145 4.830 4.895 -0.065 1 1 1456 . 2 1 1 A 145 145 LEU CA C 145 51.800 51.531 0.269 1 1 1457 . 2 1 1 A 145 145 LEU CB C 145 41.700 42.013 -0.313 1 1 1461 . 2 1 1 A 146 146 PRO HA H 146 4.330 4.857 -0.527 1 1 1466 . 2 1 1 A 146 146 PRO C C 146 175.700 176.359 -0.659 1 1 1467 . 2 1 1 A 146 146 PRO CA C 146 62.800 62.539 0.261 1 1 1468 . 2 1 1 A 146 146 PRO CB C 146 31.500 31.791 -0.291 1 1 1470 . 2 1 1 A 147 147 ASP H H 147 8.660 8.548 0.112 1 1 1471 . 2 1 1 A 147 147 ASP HA H 147 4.510 4.551 -0.041 1 1 1474 . 2 1 1 A 147 147 ASP C C 147 176.300 176.500 -0.200 1 1 1475 . 2 1 1 A 147 147 ASP CA C 147 54.300 55.412 -1.112 1 1 1476 . 2 1 1 A 147 147 ASP CB C 147 42.100 41.054 1.046 1 1 1477 . 2 1 1 A 147 147 ASP N N 147 120.700 123.079 -2.379 1 1 1478 . 2 1 1 A 148 148 GLY H H 148 8.310 8.391 -0.081 1 1 1479 . 2 1 1 A 148 148 GLY HA2 H 148 4.020 3.940 0.080 1 1 1480 . 2 1 1 A 148 148 GLY HA3 H 148 4.050 3.959 0.091 1 1 1481 . 2 1 1 A 148 148 GLY C C 148 173.600 174.347 -0.747 1 1 1482 . 2 1 1 A 148 148 GLY CA C 148 45.200 45.417 -0.217 1 1 1483 . 2 1 1 A 148 148 GLY N N 148 109.400 113.154 -3.754 1 1 1484 . 2 1 1 A 149 149 ASP H H 149 8.550 8.331 0.219 1 1 1485 . 2 1 1 A 149 149 ASP HA H 149 4.650 4.658 -0.008 1 1 1488 . 2 1 1 A 149 149 ASP C C 149 176.700 175.805 0.895 1 1 1489 . 2 1 1 A 149 149 ASP CA C 149 54.500 54.616 -0.116 1 1 1490 . 2 1 1 A 149 149 ASP CB C 149 41.600 40.803 0.797 1 1 1491 . 2 1 1 A 149 149 ASP N N 149 120.800 120.652 0.148 1 1 1492 . 2 1 1 A 150 150 SER H H 150 8.600 8.796 -0.196 1 1 1493 . 2 1 1 A 150 150 SER HA H 150 4.350 4.833 -0.483 1 1 1496 . 2 1 1 A 150 150 SER C C 150 175.000 175.005 -0.005 1 1 1497 . 2 1 1 A 150 150 SER CA C 150 58.900 58.687 0.213 1 1 1498 . 2 1 1 A 150 150 SER CB C 150 63.500 65.668 -2.168 1 1 1499 . 2 1 1 A 150 150 SER N N 150 116.400 116.206 0.194 1 1 1500 . 2 1 1 A 151 151 LEU H H 151 8.290 8.389 -0.099 1 1 1501 . 2 1 1 A 151 151 LEU CA C 151 55.500 57.082 -1.582 1 1 1502 . 2 1 1 A 151 151 LEU CB C 151 41.900 42.565 -0.665 1 1 5 . 3 1 1 A 4 4 HIS C C 4 174.800 175.337 -0.537 1 1 6 . 3 1 1 A 4 4 HIS CA C 4 55.900 60.314 -4.414 1 1 7 . 3 1 1 A 4 4 HIS CB C 4 30.000 30.637 -0.637 1 1 8 . 3 1 1 A 5 5 THR H H 5 7.990 8.093 -0.103 1 1 9 . 3 1 1 A 5 5 THR C C 5 173.800 173.634 0.166 1 1 10 . 3 1 1 A 5 5 THR CA C 5 61.500 62.484 -0.984 1 1 11 . 3 1 1 A 5 5 THR CB C 5 69.900 69.508 0.392 1 1 12 . 3 1 1 A 5 5 THR N N 5 115.300 112.180 3.120 1 1 13 . 3 1 1 A 6 6 ASP H H 6 8.370 8.758 -0.388 1 1 14 . 3 1 1 A 6 6 ASP HA H 6 4.860 5.048 -0.188 1 1 17 . 3 1 1 A 6 6 ASP CA C 6 52.500 50.750 1.750 1 1 18 . 3 1 1 A 6 6 ASP CB C 6 41.100 41.232 -0.132 1 1 19 . 3 1 1 A 6 6 ASP N N 6 124.400 128.186 -3.786 1 1 20 . 3 1 1 A 7 7 PRO HA H 7 4.350 4.845 -0.495 1 1 26 . 3 1 1 A 7 7 PRO C C 7 176.900 175.736 1.164 1 1 27 . 3 1 1 A 7 7 PRO CA C 7 63.500 62.165 1.335 1 1 28 . 3 1 1 A 7 7 PRO CB C 7 32.100 32.638 -0.538 1 1 31 . 3 1 1 A 8 8 ALA H H 8 8.420 8.539 -0.119 1 1 32 . 3 1 1 A 8 8 ALA HA H 8 4.260 4.413 -0.153 1 1 36 . 3 1 1 A 8 8 ALA C C 8 178.100 178.141 -0.041 1 1 37 . 3 1 1 A 8 8 ALA CA C 8 52.900 51.090 1.810 1 1 38 . 3 1 1 A 8 8 ALA CB C 8 19.200 19.261 -0.061 1 1 39 . 3 1 1 A 8 8 ALA N N 8 122.700 123.540 -0.840 1 1 40 . 3 1 1 A 9 9 THR H H 9 7.880 8.278 -0.398 1 1 41 . 3 1 1 A 9 9 THR HA H 9 4.230 4.286 -0.056 1 1 46 . 3 1 1 A 9 9 THR C C 9 173.800 175.976 -2.176 1 1 47 . 3 1 1 A 9 9 THR CA C 9 61.700 64.510 -2.810 1 1 48 . 3 1 1 A 9 9 THR CB C 9 69.700 68.578 1.122 1 1 50 . 3 1 1 A 9 9 THR N N 9 112.900 117.524 -4.624 1 1 51 . 3 1 1 A 10 10 ALA H H 10 8.160 7.519 0.641 1 1 52 . 3 1 1 A 10 10 ALA HA H 10 4.340 4.222 0.118 1 1 56 . 3 1 1 A 10 10 ALA C C 10 177.000 177.055 -0.055 1 1 57 . 3 1 1 A 10 10 ALA CA C 10 52.300 53.442 -1.142 1 1 58 . 3 1 1 A 10 10 ALA CB C 10 19.400 19.105 0.295 1 1 59 . 3 1 1 A 10 10 ALA N N 10 127.000 123.183 3.817 1 1 60 . 3 1 1 A 11 11 LEU H H 11 8.040 7.734 0.306 1 1 61 . 3 1 1 A 11 11 LEU HA H 11 4.640 4.441 0.199 1 1 70 . 3 1 1 A 11 11 LEU C C 11 178.300 175.107 3.193 1 1 71 . 3 1 1 A 11 11 LEU CA C 11 54.000 54.054 -0.054 1 1 72 . 3 1 1 A 11 11 LEU CB C 11 42.900 41.704 1.196 1 1 75 . 3 1 1 A 11 11 LEU N N 11 121.500 119.317 2.183 1 1 76 . 3 1 1 A 12 12 ASN H H 12 9.700 9.036 0.664 1 1 77 . 3 1 1 A 12 12 ASN HA H 12 4.760 5.067 -0.307 1 1 80 . 3 1 1 A 12 12 ASN C C 12 174.700 174.438 0.262 1 1 81 . 3 1 1 A 12 12 ASN CA C 12 54.100 53.654 0.446 1 1 82 . 3 1 1 A 12 12 ASN CB C 12 38.100 39.783 -1.683 1 1 83 . 3 1 1 A 12 12 ASN N N 12 121.500 124.285 -2.785 1 1 84 . 3 1 1 A 13 13 THR H H 13 8.710 8.720 -0.010 1 1 85 . 3 1 1 A 13 13 THR HA H 13 4.760 4.810 -0.050 1 1 90 . 3 1 1 A 13 13 THR C C 13 173.600 173.431 0.169 1 1 91 . 3 1 1 A 13 13 THR CA C 13 61.900 61.233 0.667 1 1 92 . 3 1 1 A 13 13 THR CB C 13 71.500 72.475 -0.975 1 1 94 . 3 1 1 A 13 13 THR N N 13 121.800 121.958 -0.158 1 1 95 . 3 1 1 A 14 14 VAL H H 14 9.500 8.984 0.516 1 1 96 . 3 1 1 A 14 14 VAL HA H 14 4.660 4.104 0.556 1 1 104 . 3 1 1 A 14 14 VAL C C 14 177.000 177.482 -0.482 1 1 105 . 3 1 1 A 14 14 VAL CA C 14 63.800 63.550 0.250 1 1 106 . 3 1 1 A 14 14 VAL CB C 14 30.600 31.083 -0.483 1 1 109 . 3 1 1 A 14 14 VAL N N 14 126.700 126.036 0.664 1 1 110 . 3 1 1 A 15 15 THR H H 15 8.900 8.598 0.302 1 1 111 . 3 1 1 A 15 15 THR HA H 15 4.300 4.256 0.044 1 1 116 . 3 1 1 A 15 15 THR C C 15 174.900 174.886 0.014 1 1 117 . 3 1 1 A 15 15 THR CA C 15 62.800 64.014 -1.214 1 1 118 . 3 1 1 A 15 15 THR CB C 15 68.700 69.091 -0.391 1 1 120 . 3 1 1 A 15 15 THR N N 15 122.000 120.097 1.903 1 1 121 . 3 1 1 A 16 16 ALA H H 16 7.960 7.423 0.537 1 1 122 . 3 1 1 A 16 16 ALA HA H 16 4.360 4.619 -0.259 1 1 126 . 3 1 1 A 16 16 ALA C C 16 174.400 176.676 -2.276 1 1 127 . 3 1 1 A 16 16 ALA CA C 16 52.600 50.848 1.752 1 1 128 . 3 1 1 A 16 16 ALA CB C 16 21.900 19.483 2.417 1 1 129 . 3 1 1 A 16 16 ALA N N 16 120.900 124.490 -3.590 1 1 130 . 3 1 1 A 17 17 TYR H H 17 7.790 9.091 -1.301 1 1 131 . 3 1 1 A 17 17 TYR HA H 17 4.390 4.550 -0.160 1 1 136 . 3 1 1 A 17 17 TYR C C 17 173.000 177.335 -4.335 1 1 137 . 3 1 1 A 17 17 TYR CA C 17 56.400 59.318 -2.918 1 1 138 . 3 1 1 A 17 17 TYR CB C 17 39.700 39.302 0.398 1 1 141 . 3 1 1 A 17 17 TYR N N 17 114.800 125.499 -10.699 1 1 142 . 3 1 1 A 18 18 GLY H H 18 7.030 8.287 -1.257 1 1 143 . 3 1 1 A 18 18 GLY HA2 H 18 3.210 3.809 -0.599 1 1 144 . 3 1 1 A 18 18 GLY HA3 H 18 3.900 3.861 0.039 1 1 145 . 3 1 1 A 18 18 GLY C C 18 172.200 173.971 -1.771 1 1 146 . 3 1 1 A 18 18 GLY CA C 18 44.900 46.247 -1.347 1 1 147 . 3 1 1 A 18 18 GLY N N 18 108.600 107.156 1.444 1 1 148 . 3 1 1 A 19 19 ASP H H 19 8.410 7.590 0.820 1 1 149 . 3 1 1 A 19 19 ASP HA H 19 4.320 4.589 -0.269 1 1 152 . 3 1 1 A 19 19 ASP C C 19 176.500 176.330 0.170 1 1 153 . 3 1 1 A 19 19 ASP CA C 19 55.600 53.482 2.118 1 1 154 . 3 1 1 A 19 19 ASP CB C 19 39.500 41.892 -2.392 1 1 155 . 3 1 1 A 19 19 ASP N N 19 120.400 120.643 -0.243 1 1 156 . 3 1 1 A 20 20 GLY H H 20 8.670 8.126 0.544 1 1 157 . 3 1 1 A 20 20 GLY HA2 H 20 3.670 3.737 -0.067 1 1 158 . 3 1 1 A 20 20 GLY HA3 H 20 4.210 3.806 0.404 1 1 159 . 3 1 1 A 20 20 GLY C C 20 173.900 173.877 0.023 1 1 160 . 3 1 1 A 20 20 GLY CA C 20 45.800 45.270 0.530 1 1 161 . 3 1 1 A 20 20 GLY N N 20 113.500 109.589 3.911 1 1 162 . 3 1 1 A 21 21 TYR H H 21 7.530 7.115 0.415 1 1 163 . 3 1 1 A 21 21 TYR HA H 21 5.480 5.134 0.346 1 1 168 . 3 1 1 A 21 21 TYR C C 21 172.800 172.589 0.211 1 1 169 . 3 1 1 A 21 21 TYR CA C 21 56.700 55.840 0.860 1 1 170 . 3 1 1 A 21 21 TYR CB C 21 41.400 40.825 0.575 1 1 173 . 3 1 1 A 21 21 TYR N N 21 114.300 116.680 -2.380 1 1 174 . 3 1 1 A 22 22 ILE H H 22 8.780 8.761 0.019 1 1 175 . 3 1 1 A 22 22 ILE HA H 22 4.350 4.817 -0.467 1 1 185 . 3 1 1 A 22 22 ILE C C 22 173.800 174.526 -0.726 1 1 186 . 3 1 1 A 22 22 ILE CA C 22 60.200 60.509 -0.309 1 1 187 . 3 1 1 A 22 22 ILE CB C 22 41.700 38.772 2.928 1 1 191 . 3 1 1 A 22 22 ILE N N 22 119.300 120.262 -0.962 1 1 192 . 3 1 1 A 23 23 GLU H H 23 9.010 8.850 0.160 1 1 193 . 3 1 1 A 23 23 GLU HA H 23 5.680 4.885 0.795 1 1 198 . 3 1 1 A 23 23 GLU C C 23 175.000 175.558 -0.558 1 1 199 . 3 1 1 A 23 23 GLU CA C 23 54.300 55.745 -1.445 1 1 200 . 3 1 1 A 23 23 GLU CB C 23 33.500 30.672 2.828 1 1 202 . 3 1 1 A 23 23 GLU N N 23 127.800 128.739 -0.939 1 1 203 . 3 1 1 A 24 24 VAL H H 24 8.980 9.176 -0.196 1 1 204 . 3 1 1 A 24 24 VAL HA H 24 4.840 4.324 0.516 1 1 212 . 3 1 1 A 24 24 VAL C C 24 177.300 176.040 1.260 1 1 213 . 3 1 1 A 24 24 VAL CA C 24 60.600 60.997 -0.397 1 1 214 . 3 1 1 A 24 24 VAL CB C 24 33.600 31.430 2.170 1 1 217 . 3 1 1 A 24 24 VAL N N 24 125.400 128.342 -2.942 1 1 218 . 3 1 1 A 25 25 ASN H H 25 9.340 8.986 0.354 1 1 219 . 3 1 1 A 25 25 ASN HA H 25 4.340 4.323 0.017 1 1 222 . 3 1 1 A 25 25 ASN C C 25 173.800 175.424 -1.624 1 1 223 . 3 1 1 A 25 25 ASN CA C 25 54.600 55.550 -0.950 1 1 224 . 3 1 1 A 25 25 ASN CB C 25 36.600 37.154 -0.554 1 1 225 . 3 1 1 A 25 25 ASN N N 25 127.800 122.838 4.962 1 1 226 . 3 1 1 A 26 26 GLN H H 26 7.920 8.507 -0.587 1 1 227 . 3 1 1 A 26 26 GLN HA H 26 3.670 4.448 -0.778 1 1 232 . 3 1 1 A 26 26 GLN C C 26 174.400 175.124 -0.724 1 1 233 . 3 1 1 A 26 26 GLN CA C 26 58.100 56.405 1.695 1 1 234 . 3 1 1 A 26 26 GLN CB C 26 26.500 31.378 -4.878 1 1 236 . 3 1 1 A 26 26 GLN N N 26 104.100 116.905 -12.805 1 1 237 . 3 1 1 A 27 27 VAL H H 27 7.850 7.528 0.322 1 1 238 . 3 1 1 A 27 27 VAL HA H 27 3.900 3.990 -0.090 1 1 246 . 3 1 1 A 27 27 VAL C C 27 174.200 175.080 -0.880 1 1 247 . 3 1 1 A 27 27 VAL CA C 27 62.100 61.902 0.198 1 1 248 . 3 1 1 A 27 27 VAL CB C 27 32.500 32.466 0.034 1 1 251 . 3 1 1 A 27 27 VAL N N 27 123.100 119.472 3.628 1 1 252 . 3 1 1 A 28 28 ARG H H 28 8.430 8.530 -0.100 1 1 253 . 3 1 1 A 28 28 ARG HA H 28 4.320 4.714 -0.394 1 1 256 . 3 1 1 A 28 28 ARG C C 28 175.200 174.419 0.781 1 1 257 . 3 1 1 A 28 28 ARG CA C 28 57.100 55.016 2.084 1 1 258 . 3 1 1 A 28 28 ARG CB C 28 31.300 30.604 0.696 1 1 259 . 3 1 1 A 28 28 ARG N N 28 126.200 127.599 -1.399 1 1 260 . 3 1 1 A 29 29 PHE H H 29 9.290 9.459 -0.169 1 1 261 . 3 1 1 A 29 29 PHE HA H 29 4.580 4.617 -0.037 1 1 266 . 3 1 1 A 29 29 PHE C C 29 175.800 176.191 -0.391 1 1 267 . 3 1 1 A 29 29 PHE CA C 29 57.700 57.312 0.388 1 1 268 . 3 1 1 A 29 29 PHE CB C 29 42.000 40.442 1.558 1 1 271 . 3 1 1 A 29 29 PHE N N 29 123.900 125.244 -1.344 1 1 272 . 3 1 1 A 30 30 SER H H 30 8.950 8.655 0.295 1 1 273 . 3 1 1 A 30 30 SER HA H 30 5.130 4.576 0.554 1 1 276 . 3 1 1 A 30 30 SER C C 30 172.900 173.413 -0.513 1 1 277 . 3 1 1 A 30 30 SER CA C 30 57.000 58.096 -1.096 1 1 278 . 3 1 1 A 30 30 SER CB C 30 63.200 63.513 -0.313 1 1 279 . 3 1 1 A 30 30 SER N N 30 119.400 116.017 3.383 1 1 280 . 3 1 1 A 31 31 HIS H H 31 7.170 7.242 -0.072 1 1 281 . 3 1 1 A 31 31 HIS HA H 31 4.840 5.014 -0.174 1 1 284 . 3 1 1 A 31 31 HIS C C 31 171.900 172.841 -0.941 1 1 285 . 3 1 1 A 31 31 HIS CA C 31 53.200 54.190 -0.990 1 1 286 . 3 1 1 A 31 31 HIS CB C 31 31.100 31.724 -0.624 1 1 287 . 3 1 1 A 31 31 HIS N N 31 114.600 116.729 -2.129 1 1 288 . 3 1 1 A 32 32 ALA H H 32 8.930 8.431 0.499 1 1 289 . 3 1 1 A 32 32 ALA HA H 32 5.050 4.684 0.366 1 1 293 . 3 1 1 A 32 32 ALA C C 32 179.000 177.734 1.266 1 1 294 . 3 1 1 A 32 32 ALA CA C 32 53.700 52.675 1.025 1 1 295 . 3 1 1 A 32 32 ALA CB C 32 20.700 19.445 1.255 1 1 296 . 3 1 1 A 32 32 ALA N N 32 120.200 122.039 -1.839 1 1 297 . 3 1 1 A 33 33 ILE H H 33 8.280 8.703 -0.423 1 1 298 . 3 1 1 A 33 33 ILE HA H 33 5.520 5.108 0.412 1 1 308 . 3 1 1 A 33 33 ILE C C 33 173.400 174.422 -1.022 1 1 309 . 3 1 1 A 33 33 ILE CA C 33 59.500 59.386 0.114 1 1 310 . 3 1 1 A 33 33 ILE CB C 33 44.500 42.227 2.273 1 1 313 . 3 1 1 A 33 33 ILE N N 33 115.800 117.761 -1.961 1 1 314 . 3 1 1 A 34 34 ALA H H 34 8.900 9.176 -0.276 1 1 315 . 3 1 1 A 34 34 ALA HA H 34 5.290 5.234 0.056 1 1 319 . 3 1 1 A 34 34 ALA C C 34 176.100 175.997 0.103 1 1 320 . 3 1 1 A 34 34 ALA CA C 34 51.100 50.336 0.764 1 1 321 . 3 1 1 A 34 34 ALA CB C 34 21.900 21.683 0.217 1 1 322 . 3 1 1 A 34 34 ALA N N 34 121.600 124.305 -2.705 1 1 323 . 3 1 1 A 35 35 PHE H H 35 8.580 8.380 0.200 1 1 324 . 3 1 1 A 35 35 PHE HA H 35 4.740 5.171 -0.431 1 1 330 . 3 1 1 A 35 35 PHE C C 35 170.000 172.230 -2.230 1 1 331 . 3 1 1 A 35 35 PHE CA C 35 57.100 55.806 1.294 1 1 332 . 3 1 1 A 35 35 PHE CB C 35 39.700 41.739 -2.039 1 1 336 . 3 1 1 A 35 35 PHE N N 35 116.600 117.269 -0.669 1 1 337 . 3 1 1 A 36 36 ALA H H 36 8.730 8.677 0.053 1 1 338 . 3 1 1 A 36 36 ALA HA H 36 5.170 4.982 0.188 1 1 342 . 3 1 1 A 36 36 ALA CA C 36 49.100 49.403 -0.303 1 1 343 . 3 1 1 A 36 36 ALA CB C 36 20.500 20.977 -0.477 1 1 344 . 3 1 1 A 36 36 ALA N N 36 123.400 122.989 0.411 1 1 345 . 3 1 1 A 37 37 PRO HA H 37 4.740 4.611 0.129 1 1 350 . 3 1 1 A 37 37 PRO C C 37 176.500 176.562 -0.062 1 1 351 . 3 1 1 A 37 37 PRO CA C 37 66.200 65.038 1.162 1 1 352 . 3 1 1 A 37 37 PRO CB C 37 33.600 31.922 1.678 1 1 354 . 3 1 1 A 38 38 GLU H H 38 7.450 8.057 -0.607 1 1 355 . 3 1 1 A 38 38 GLU HA H 38 4.790 4.867 -0.077 1 1 360 . 3 1 1 A 38 38 GLU C C 38 177.300 175.351 1.949 1 1 361 . 3 1 1 A 38 38 GLU CA C 38 54.200 55.059 -0.859 1 1 362 . 3 1 1 A 38 38 GLU CB C 38 32.600 31.486 1.114 1 1 364 . 3 1 1 A 38 38 GLU N N 38 110.100 116.371 -6.271 1 1 365 . 3 1 1 A 39 39 GLY H H 39 8.600 8.413 0.187 1 1 366 . 3 1 1 A 39 39 GLY HA2 H 39 3.920 4.246 -0.326 1 1 367 . 3 1 1 A 39 39 GLY HA3 H 39 4.440 4.248 0.192 1 1 368 . 3 1 1 A 39 39 GLY CA C 39 44.400 44.842 -0.442 1 1 369 . 3 1 1 A 39 39 GLY N N 39 109.500 112.955 -3.455 1 1 370 . 3 1 1 A 40 40 PRO HA H 40 4.550 4.738 -0.188 1 1 375 . 3 1 1 A 40 40 PRO C C 40 177.100 175.175 1.925 1 1 376 . 3 1 1 A 40 40 PRO CA C 40 62.500 62.408 0.092 1 1 377 . 3 1 1 A 40 40 PRO CB C 40 32.700 32.746 -0.046 1 1 378 . 3 1 1 A 41 41 VAL H H 41 8.530 8.505 0.025 1 1 379 . 3 1 1 A 41 41 VAL HA H 41 3.900 4.517 -0.617 1 1 387 . 3 1 1 A 41 41 VAL C C 41 175.200 174.952 0.248 1 1 388 . 3 1 1 A 41 41 VAL CA C 41 63.000 61.043 1.957 1 1 389 . 3 1 1 A 41 41 VAL CB C 41 31.100 33.129 -2.029 1 1 392 . 3 1 1 A 41 41 VAL N N 41 123.000 120.579 2.421 1 1 393 . 3 1 1 A 42 42 ALA H H 42 8.320 9.260 -0.940 1 1 394 . 3 1 1 A 42 42 ALA HA H 42 4.750 5.173 -0.423 1 1 398 . 3 1 1 A 42 42 ALA C C 42 177.400 175.758 1.642 1 1 399 . 3 1 1 A 42 42 ALA CA C 42 50.800 50.074 0.726 1 1 400 . 3 1 1 A 42 42 ALA CB C 42 21.400 22.621 -1.221 1 1 401 . 3 1 1 A 42 42 ALA N N 42 131.300 130.396 0.904 1 1 402 . 3 1 1 A 43 43 SER H H 43 8.660 8.679 -0.019 1 1 403 . 3 1 1 A 43 43 SER HA H 43 4.690 4.722 -0.032 1 1 406 . 3 1 1 A 43 43 SER CA C 43 59.000 57.819 1.181 1 1 407 . 3 1 1 A 43 43 SER CB C 43 62.800 63.910 -1.110 1 1 408 . 3 1 1 A 43 43 SER N N 43 115.400 116.095 -0.695 1 1 409 . 3 1 1 A 44 44 TRP HA H 44 5.470 4.942 0.528 1 1 418 . 3 1 1 A 44 44 TRP CA C 44 52.200 55.544 -3.344 1 1 419 . 3 1 1 A 44 44 TRP CB C 44 31.000 30.966 0.034 1 1 426 . 3 1 1 A 45 45 PRO HA H 45 4.550 4.170 0.380 1 1 431 . 3 1 1 A 45 45 PRO C C 45 173.000 175.623 -2.623 1 1 432 . 3 1 1 A 45 45 PRO CA C 45 63.300 63.246 0.054 1 1 433 . 3 1 1 A 45 45 PRO CB C 45 27.800 30.488 -2.688 1 1 435 . 3 1 1 A 46 46 VAL H H 46 8.390 7.674 0.716 1 1 436 . 3 1 1 A 46 46 VAL HA H 46 3.770 3.937 -0.167 1 1 444 . 3 1 1 A 46 46 VAL C C 46 174.100 175.355 -1.255 1 1 445 . 3 1 1 A 46 46 VAL CA C 46 61.100 60.450 0.650 1 1 446 . 3 1 1 A 46 46 VAL CB C 46 35.200 32.949 2.251 1 1 449 . 3 1 1 A 46 46 VAL N N 46 124.300 120.732 3.568 1 1 450 . 3 1 1 A 47 47 GLN H H 47 8.970 8.424 0.546 1 1 451 . 3 1 1 A 47 47 GLN HA H 47 4.430 4.556 -0.126 1 1 456 . 3 1 1 A 47 47 GLN C C 47 175.100 176.005 -0.905 1 1 457 . 3 1 1 A 47 47 GLN CA C 47 56.400 57.248 -0.848 1 1 458 . 3 1 1 A 47 47 GLN CB C 47 30.900 30.394 0.506 1 1 459 . 3 1 1 A 47 47 GLN N N 47 122.000 125.645 -3.645 1 1 460 . 3 1 1 A 48 48 ARG H H 48 7.720 8.186 -0.466 1 1 461 . 3 1 1 A 48 48 ARG HA H 48 4.750 4.645 0.105 1 1 468 . 3 1 1 A 48 48 ARG CA C 48 52.800 52.790 0.010 1 1 469 . 3 1 1 A 48 48 ARG CB C 48 30.500 31.242 -0.742 1 1 471 . 3 1 1 A 48 48 ARG N N 48 116.600 118.598 -1.998 1 1 472 . 3 1 1 A 49 49 PRO HA H 49 3.750 4.277 -0.527 1 1 477 . 3 1 1 A 49 49 PRO C C 49 177.500 177.011 0.489 1 1 478 . 3 1 1 A 49 49 PRO CA C 49 65.400 64.480 0.920 1 1 479 . 3 1 1 A 49 49 PRO CB C 49 30.700 31.832 -1.132 1 1 481 . 3 1 1 A 50 50 ALA H H 50 7.960 8.111 -0.151 1 1 482 . 3 1 1 A 50 50 ALA HA H 50 4.010 3.946 0.064 1 1 486 . 3 1 1 A 50 50 ALA C C 50 177.300 178.768 -1.468 1 1 487 . 3 1 1 A 50 50 ALA CA C 50 53.800 53.945 -0.145 1 1 488 . 3 1 1 A 50 50 ALA CB C 50 18.500 18.486 0.014 1 1 489 . 3 1 1 A 50 50 ALA N N 50 117.200 119.467 -2.267 1 1 490 . 3 1 1 A 51 51 ASP H H 51 7.570 7.921 -0.351 1 1 491 . 3 1 1 A 51 51 ASP HA H 51 4.410 4.463 -0.053 1 1 494 . 3 1 1 A 51 51 ASP C C 51 176.000 177.227 -1.227 1 1 495 . 3 1 1 A 51 51 ASP CA C 51 54.200 56.632 -2.432 1 1 496 . 3 1 1 A 51 51 ASP CB C 51 41.900 40.335 1.565 1 1 497 . 3 1 1 A 51 51 ASP N N 51 114.800 115.747 -0.947 1 1 498 . 3 1 1 A 52 52 ILE H H 52 7.290 7.154 0.136 1 1 499 . 3 1 1 A 52 52 ILE HA H 52 3.100 3.841 -0.741 1 1 509 . 3 1 1 A 52 52 ILE C C 52 174.800 175.697 -0.897 1 1 510 . 3 1 1 A 52 52 ILE CA C 52 65.100 62.421 2.679 1 1 511 . 3 1 1 A 52 52 ILE CB C 52 37.100 37.852 -0.752 1 1 515 . 3 1 1 A 52 52 ILE N N 52 117.700 121.166 -3.466 1 1 516 . 3 1 1 A 53 53 THR H H 53 6.560 8.782 -2.222 1 1 517 . 3 1 1 A 53 53 THR HA H 53 4.720 4.774 -0.054 1 1 522 . 3 1 1 A 53 53 THR C C 53 174.600 175.219 -0.619 1 1 523 . 3 1 1 A 53 53 THR CA C 53 58.500 60.944 -2.444 1 1 524 . 3 1 1 A 53 53 THR CB C 53 72.900 72.368 0.532 1 1 526 . 3 1 1 A 53 53 THR N N 53 117.300 121.907 -4.607 1 1 527 . 3 1 1 A 54 54 ALA H H 54 9.340 9.240 0.100 1 1 528 . 3 1 1 A 54 54 ALA HA H 54 4.460 4.093 0.367 1 1 532 . 3 1 1 A 54 54 ALA C C 54 167.400 180.345 -12.945 1 1 533 . 3 1 1 A 54 54 ALA CA C 54 55.800 55.833 -0.033 1 1 534 . 3 1 1 A 54 54 ALA CB C 54 18.200 18.151 0.049 1 1 535 . 3 1 1 A 54 54 ALA N N 54 123.800 126.350 -2.550 1 1 536 . 3 1 1 A 55 55 SER H H 55 8.530 8.294 0.236 1 1 537 . 3 1 1 A 55 55 SER HA H 55 4.280 4.183 0.097 1 1 541 . 3 1 1 A 55 55 SER C C 55 177.700 177.685 0.015 1 1 542 . 3 1 1 A 55 55 SER CA C 55 61.600 61.655 -0.055 1 1 543 . 3 1 1 A 55 55 SER CB C 55 62.600 62.498 0.102 1 1 544 . 3 1 1 A 55 55 SER N N 55 112.600 113.365 -0.765 1 1 545 . 3 1 1 A 56 56 LEU H H 56 7.810 8.020 -0.210 1 1 546 . 3 1 1 A 56 56 LEU HA H 56 4.280 4.187 0.093 1 1 556 . 3 1 1 A 56 56 LEU C C 56 168.100 180.036 -11.936 1 1 557 . 3 1 1 A 56 56 LEU CA C 56 57.900 57.858 0.042 1 1 558 . 3 1 1 A 56 56 LEU CB C 56 42.100 41.278 0.822 1 1 562 . 3 1 1 A 56 56 LEU N N 56 122.500 123.183 -0.683 1 1 563 . 3 1 1 A 57 57 LEU H H 57 8.490 8.158 0.332 1 1 564 . 3 1 1 A 57 57 LEU HA H 57 4.180 4.054 0.126 1 1 574 . 3 1 1 A 57 57 LEU C C 57 178.000 179.457 -1.457 1 1 575 . 3 1 1 A 57 57 LEU CA C 57 58.300 58.126 0.174 1 1 576 . 3 1 1 A 57 57 LEU CB C 57 41.200 40.758 0.442 1 1 580 . 3 1 1 A 57 57 LEU N N 57 123.900 120.595 3.305 1 1 581 . 3 1 1 A 58 58 GLN H H 58 8.500 8.162 0.338 1 1 582 . 3 1 1 A 58 58 GLN HA H 58 3.680 4.039 -0.359 1 1 589 . 3 1 1 A 58 58 GLN C C 58 178.200 179.039 -0.839 1 1 590 . 3 1 1 A 58 58 GLN CA C 58 60.200 59.283 0.917 1 1 591 . 3 1 1 A 58 58 GLN CB C 58 28.500 28.042 0.458 1 1 593 . 3 1 1 A 58 58 GLN N N 58 118.800 119.122 -0.322 1 1 595 . 3 1 1 A 59 59 GLN H H 59 8.300 7.773 0.527 1 1 596 . 3 1 1 A 59 59 GLN HA H 59 4.090 4.071 0.019 1 1 601 . 3 1 1 A 59 59 GLN C C 59 179.900 178.400 1.500 1 1 602 . 3 1 1 A 59 59 GLN CA C 59 58.900 58.894 0.006 1 1 603 . 3 1 1 A 59 59 GLN CB C 59 28.800 28.464 0.336 1 1 605 . 3 1 1 A 59 59 GLN N N 59 118.600 119.943 -1.343 1 1 606 . 3 1 1 A 60 60 ALA H H 60 7.850 8.011 -0.161 1 1 607 . 3 1 1 A 60 60 ALA HA H 60 3.580 3.774 -0.194 1 1 611 . 3 1 1 A 60 60 ALA C C 60 176.700 179.091 -2.391 1 1 612 . 3 1 1 A 60 60 ALA CA C 60 54.700 53.926 0.774 1 1 613 . 3 1 1 A 60 60 ALA CB C 60 17.400 17.439 -0.039 1 1 614 . 3 1 1 A 60 60 ALA N N 60 122.500 121.620 0.880 1 1 615 . 3 1 1 A 61 61 ALA H H 61 7.540 7.344 0.196 1 1 616 . 3 1 1 A 61 61 ALA HA H 61 3.970 4.268 -0.298 1 1 620 . 3 1 1 A 61 61 ALA C C 61 176.300 177.809 -1.509 1 1 621 . 3 1 1 A 61 61 ALA CA C 61 52.400 51.977 0.423 1 1 622 . 3 1 1 A 61 61 ALA CB C 61 19.100 19.476 -0.376 1 1 623 . 3 1 1 A 61 61 ALA N N 61 113.700 117.747 -4.047 1 1 624 . 3 1 1 A 62 62 GLY H H 62 7.600 7.710 -0.110 1 1 625 . 3 1 1 A 62 62 GLY HA2 H 62 3.890 3.919 -0.029 1 1 626 . 3 1 1 A 62 62 GLY HA3 H 62 3.980 3.930 0.050 1 1 627 . 3 1 1 A 62 62 GLY C C 62 175.400 175.398 0.002 1 1 628 . 3 1 1 A 62 62 GLY CA C 62 45.800 46.561 -0.761 1 1 629 . 3 1 1 A 62 62 GLY N N 62 104.800 106.904 -2.104 1 1 630 . 3 1 1 A 63 63 LEU H H 63 7.770 7.790 -0.020 1 1 631 . 3 1 1 A 63 63 LEU HA H 63 4.430 4.347 0.083 1 1 640 . 3 1 1 A 63 63 LEU C C 63 176.400 176.364 0.036 1 1 641 . 3 1 1 A 63 63 LEU CA C 63 54.000 55.045 -1.045 1 1 642 . 3 1 1 A 63 63 LEU CB C 63 42.500 41.191 1.309 1 1 645 . 3 1 1 A 63 63 LEU N N 63 119.100 117.313 1.787 1 1 646 . 3 1 1 A 64 64 ALA H H 64 8.060 7.769 0.291 1 1 647 . 3 1 1 A 64 64 ALA HA H 64 4.160 4.403 -0.243 1 1 651 . 3 1 1 A 64 64 ALA C C 64 177.300 176.301 0.999 1 1 652 . 3 1 1 A 64 64 ALA CA C 64 52.700 51.444 1.256 1 1 653 . 3 1 1 A 64 64 ALA CB C 64 19.700 18.241 1.459 1 1 654 . 3 1 1 A 64 64 ALA N N 64 122.900 124.124 -1.224 1 1 655 . 3 1 1 A 65 65 GLU H H 65 8.260 8.474 -0.214 1 1 656 . 3 1 1 A 65 65 GLU C C 65 176.300 175.448 0.852 1 1 657 . 3 1 1 A 65 65 GLU CA C 65 56.400 56.388 0.012 1 1 658 . 3 1 1 A 65 65 GLU CB C 65 30.100 30.625 -0.525 1 1 659 . 3 1 1 A 65 65 GLU N N 65 118.900 125.618 -6.718 1 1 660 . 3 1 1 A 66 66 VAL H H 66 7.960 8.785 -0.825 1 1 661 . 3 1 1 A 66 66 VAL HA H 66 4.020 4.571 -0.551 1 1 663 . 3 1 1 A 66 66 VAL C C 66 175.900 176.104 -0.204 1 1 664 . 3 1 1 A 66 66 VAL CA C 66 62.300 60.138 2.162 1 1 665 . 3 1 1 A 66 66 VAL CB C 66 32.800 36.042 -3.242 1 1 666 . 3 1 1 A 66 66 VAL N N 66 121.500 125.554 -4.054 1 1 667 . 3 1 1 A 67 67 VAL H H 67 8.210 9.089 -0.879 1 1 668 . 3 1 1 A 67 67 VAL C C 67 175.800 176.309 -0.509 1 1 669 . 3 1 1 A 67 67 VAL CA C 67 62.200 66.134 -3.934 1 1 670 . 3 1 1 A 67 67 VAL CB C 67 32.600 31.599 1.001 1 1 671 . 3 1 1 A 67 67 VAL N N 67 124.900 124.362 0.538 1 1 672 . 3 1 1 A 68 68 ARG H H 68 8.380 7.964 0.416 1 1 673 . 3 1 1 A 68 68 ARG HA H 68 4.270 3.902 0.368 1 1 674 . 3 1 1 A 68 68 ARG C C 68 175.400 174.830 0.570 1 1 675 . 3 1 1 A 68 68 ARG CA C 68 55.700 59.090 -3.390 1 1 676 . 3 1 1 A 68 68 ARG CB C 68 31.100 28.604 2.496 1 1 677 . 3 1 1 A 68 68 ARG N N 68 125.900 118.855 7.045 1 1 678 . 3 1 1 A 69 69 ASP H H 69 8.390 8.430 -0.040 1 1 679 . 3 1 1 A 69 69 ASP HA H 69 4.800 4.928 -0.128 1 1 682 . 3 1 1 A 69 69 ASP CA C 69 51.700 55.589 -3.889 1 1 683 . 3 1 1 A 69 69 ASP CB C 69 41.700 43.045 -1.345 1 1 684 . 3 1 1 A 69 69 ASP N N 69 123.600 115.649 7.951 1 1 685 . 3 1 1 A 70 70 PRO HA H 70 4.290 4.512 -0.222 1 1 688 . 3 1 1 A 70 70 PRO C C 70 177.500 176.772 0.728 1 1 689 . 3 1 1 A 70 70 PRO CA C 70 64.100 61.884 2.216 1 1 690 . 3 1 1 A 70 70 PRO CB C 70 32.300 32.421 -0.121 1 1 691 . 3 1 1 A 71 71 LEU H H 71 8.280 8.722 -0.442 1 1 692 . 3 1 1 A 71 71 LEU HA H 71 4.260 3.881 0.379 1 1 698 . 3 1 1 A 71 71 LEU C C 71 177.600 176.788 0.812 1 1 699 . 3 1 1 A 71 71 LEU CA C 71 55.100 56.609 -1.509 1 1 700 . 3 1 1 A 71 71 LEU CB C 71 41.200 42.030 -0.830 1 1 702 . 3 1 1 A 71 71 LEU N N 71 118.400 121.195 -2.795 1 1 703 . 3 1 1 A 72 72 ALA H H 72 7.660 7.486 0.174 1 1 704 . 3 1 1 A 72 72 ALA HA H 72 4.170 4.474 -0.304 1 1 708 . 3 1 1 A 72 72 ALA C C 72 177.400 175.849 1.551 1 1 709 . 3 1 1 A 72 72 ALA CA C 72 52.600 50.064 2.536 1 1 710 . 3 1 1 A 72 72 ALA CB C 72 19.200 19.866 -0.666 1 1 711 . 3 1 1 A 72 72 ALA N N 72 122.900 121.435 1.465 1 1 712 . 3 1 1 A 73 73 PHE H H 73 7.940 8.908 -0.968 1 1 713 . 3 1 1 A 73 73 PHE HA H 73 4.510 4.537 -0.027 1 1 717 . 3 1 1 A 73 73 PHE C C 73 175.600 175.435 0.165 1 1 718 . 3 1 1 A 73 73 PHE CA C 73 57.800 59.008 -1.208 1 1 719 . 3 1 1 A 73 73 PHE CB C 73 39.100 39.618 -0.518 1 1 720 . 3 1 1 A 73 73 PHE N N 73 118.200 122.581 -4.381 1 1 721 . 3 1 1 A 74 74 LEU H H 74 7.890 8.472 -0.582 1 1 722 . 3 1 1 A 74 74 LEU CA C 74 55.200 56.248 -1.048 1 1 723 . 3 1 1 A 74 74 LEU CB C 74 42.400 42.525 -0.125 1 1 724 . 3 1 1 A 74 74 LEU N N 74 122.600 124.944 -2.344 1 1 725 . 3 1 1 A 78 78 GLU C C 78 176.600 175.878 0.722 1 1 726 . 3 1 1 A 78 78 GLU CA C 78 57.500 54.870 2.630 1 1 727 . 3 1 1 A 78 78 GLU CB C 78 30.100 34.505 -4.405 1 1 728 . 3 1 1 A 79 79 ALA H H 79 8.460 8.157 0.303 1 1 729 . 3 1 1 A 79 79 ALA C C 79 178.300 178.108 0.192 1 1 730 . 3 1 1 A 79 79 ALA CA C 79 52.900 51.649 1.251 1 1 731 . 3 1 1 A 79 79 ALA CB C 79 19.200 19.851 -0.651 1 1 732 . 3 1 1 A 79 79 ALA N N 79 124.700 122.199 2.501 1 1 733 . 3 1 1 A 80 80 GLY H H 80 8.330 8.250 0.080 1 1 734 . 3 1 1 A 80 80 GLY C C 80 174.100 174.821 -0.721 1 1 735 . 3 1 1 A 80 80 GLY CA C 80 45.100 46.676 -1.576 1 1 736 . 3 1 1 A 80 80 GLY N N 80 108.200 107.698 0.502 1 1 737 . 3 1 1 A 81 81 ALA H H 81 8.140 8.517 -0.377 1 1 738 . 3 1 1 A 81 81 ALA HA H 81 4.170 4.404 -0.234 1 1 739 . 3 1 1 A 81 81 ALA C C 81 178.400 177.269 1.131 1 1 740 . 3 1 1 A 81 81 ALA CA C 81 52.800 51.947 0.853 1 1 741 . 3 1 1 A 81 81 ALA CB C 81 19.200 19.233 -0.033 1 1 742 . 3 1 1 A 81 81 ALA N N 81 123.600 129.239 -5.639 1 1 743 . 3 1 1 A 82 82 GLY H H 82 8.400 7.429 0.971 1 1 744 . 3 1 1 A 82 82 GLY HA2 H 82 3.860 4.143 -0.283 1 1 745 . 3 1 1 A 82 82 GLY HA3 H 82 2.880 4.147 -1.267 1 1 746 . 3 1 1 A 82 82 GLY C C 82 173.600 173.424 0.176 1 1 747 . 3 1 1 A 82 82 GLY CA C 82 45.200 45.140 0.060 1 1 748 . 3 1 1 A 82 82 GLY N N 82 108.000 107.821 0.179 1 1 749 . 3 1 1 A 83 83 ALA H H 83 7.980 8.085 -0.105 1 1 750 . 3 1 1 A 83 83 ALA HA H 83 4.280 4.523 -0.243 1 1 754 . 3 1 1 A 83 83 ALA C C 83 177.200 176.420 0.780 1 1 755 . 3 1 1 A 83 83 ALA CA C 83 52.100 51.337 0.763 1 1 756 . 3 1 1 A 83 83 ALA CB C 83 19.500 19.875 -0.375 1 1 757 . 3 1 1 A 83 83 ALA N N 83 123.300 121.104 2.196 1 1 758 . 3 1 1 A 84 84 ARG H H 84 8.240 7.721 0.519 1 1 759 . 3 1 1 A 84 84 ARG HA H 84 4.610 4.906 -0.296 1 1 762 . 3 1 1 A 84 84 ARG CA C 84 54.000 53.868 0.132 1 1 763 . 3 1 1 A 84 84 ARG CB C 84 30.500 32.389 -1.889 1 1 764 . 3 1 1 A 84 84 ARG N N 84 121.700 116.675 5.025 1 1 765 . 3 1 1 A 85 85 PRO HA H 85 4.390 4.735 -0.345 1 1 770 . 3 1 1 A 85 85 PRO C C 85 177.000 175.578 1.422 1 1 771 . 3 1 1 A 85 85 PRO CA C 85 62.900 62.228 0.672 1 1 772 . 3 1 1 A 85 85 PRO CB C 85 32.200 33.307 -1.107 1 1 773 . 3 1 1 A 86 86 ALA H H 86 8.600 8.742 -0.142 1 1 774 . 3 1 1 A 86 86 ALA HA H 86 4.150 4.497 -0.347 1 1 778 . 3 1 1 A 86 86 ALA C C 86 177.800 178.017 -0.217 1 1 779 . 3 1 1 A 86 86 ALA CA C 86 53.400 51.580 1.820 1 1 780 . 3 1 1 A 86 86 ALA CB C 86 18.900 19.347 -0.447 1 1 781 . 3 1 1 A 86 86 ALA N N 86 124.900 122.366 2.534 1 1 782 . 3 1 1 A 87 87 ASN H H 87 8.380 8.291 0.089 1 1 783 . 3 1 1 A 87 87 ASN HA H 87 4.590 4.530 0.060 1 1 786 . 3 1 1 A 87 87 ASN C C 87 174.400 175.607 -1.207 1 1 787 . 3 1 1 A 87 87 ASN CA C 87 52.600 54.309 -1.709 1 1 788 . 3 1 1 A 87 87 ASN CB C 87 38.300 37.355 0.945 1 1 789 . 3 1 1 A 87 87 ASN N N 87 114.900 115.616 -0.716 1 1 790 . 3 1 1 A 88 88 ALA H H 88 7.800 7.573 0.227 1 1 791 . 3 1 1 A 88 88 ALA HA H 88 4.400 4.433 -0.033 1 1 795 . 3 1 1 A 88 88 ALA CA C 88 50.400 50.582 -0.182 1 1 796 . 3 1 1 A 88 88 ALA CB C 88 17.900 18.807 -0.907 1 1 797 . 3 1 1 A 88 88 ALA N N 88 123.600 124.432 -0.832 1 1 798 . 3 1 1 A 89 89 PRO HA H 89 4.390 4.502 -0.112 1 1 805 . 3 1 1 A 89 89 PRO C C 89 175.000 177.810 -2.810 1 1 806 . 3 1 1 A 89 89 PRO CA C 89 62.400 63.345 -0.945 1 1 807 . 3 1 1 A 89 89 PRO CB C 89 31.700 31.868 -0.168 1 1 810 . 3 1 1 A 90 90 GLU H H 90 9.000 8.444 0.556 1 1 811 . 3 1 1 A 90 90 GLU HA H 90 4.310 4.139 0.171 1 1 814 . 3 1 1 A 90 90 GLU C C 90 177.300 175.868 1.432 1 1 815 . 3 1 1 A 90 90 GLU CA C 90 58.000 59.512 -1.512 1 1 816 . 3 1 1 A 90 90 GLU CB C 90 31.400 30.375 1.025 1 1 817 . 3 1 1 A 90 90 GLU N N 90 117.700 123.675 -5.975 1 1 818 . 3 1 1 A 91 91 VAL H H 91 7.310 7.587 -0.277 1 1 819 . 3 1 1 A 91 91 VAL HA H 91 4.570 4.843 -0.273 1 1 827 . 3 1 1 A 91 91 VAL C C 91 171.000 173.244 -2.244 1 1 828 . 3 1 1 A 91 91 VAL CA C 91 59.700 59.999 -0.299 1 1 829 . 3 1 1 A 91 91 VAL CB C 91 35.600 35.414 0.186 1 1 832 . 3 1 1 A 91 91 VAL N N 91 115.900 117.671 -1.771 1 1 833 . 3 1 1 A 92 92 LEU H H 92 8.700 9.143 -0.443 1 1 834 . 3 1 1 A 92 92 LEU HA H 92 4.950 5.402 -0.452 1 1 844 . 3 1 1 A 92 92 LEU C C 92 174.300 174.494 -0.194 1 1 845 . 3 1 1 A 92 92 LEU CA C 92 52.700 53.274 -0.574 1 1 846 . 3 1 1 A 92 92 LEU CB C 92 44.100 44.984 -0.884 1 1 850 . 3 1 1 A 92 92 LEU N N 92 128.500 129.971 -1.471 1 1 851 . 3 1 1 A 93 93 LEU H H 93 8.770 9.511 -0.741 1 1 852 . 3 1 1 A 93 93 LEU HA H 93 4.910 5.209 -0.299 1 1 862 . 3 1 1 A 93 93 LEU C C 93 174.900 175.175 -0.275 1 1 863 . 3 1 1 A 93 93 LEU CA C 93 52.600 53.333 -0.733 1 1 864 . 3 1 1 A 93 93 LEU CB C 93 44.300 42.718 1.582 1 1 868 . 3 1 1 A 93 93 LEU N N 93 127.300 128.598 -1.298 1 1 869 . 3 1 1 A 94 94 VAL H H 94 8.800 9.306 -0.506 1 1 870 . 3 1 1 A 94 94 VAL HA H 94 4.880 4.567 0.313 1 1 878 . 3 1 1 A 94 94 VAL C C 94 175.000 175.136 -0.136 1 1 879 . 3 1 1 A 94 94 VAL CA C 94 60.000 61.159 -1.159 1 1 880 . 3 1 1 A 94 94 VAL CB C 94 33.900 32.590 1.310 1 1 883 . 3 1 1 A 94 94 VAL N N 94 122.000 126.415 -4.415 1 1 884 . 3 1 1 A 95 95 GLY H H 95 9.730 9.364 0.366 1 1 885 . 3 1 1 A 95 95 GLY HA2 H 95 3.240 4.064 -0.824 1 1 886 . 3 1 1 A 95 95 GLY HA3 H 95 4.940 4.075 0.865 1 1 887 . 3 1 1 A 95 95 GLY C C 95 175.000 175.246 -0.246 1 1 888 . 3 1 1 A 95 95 GLY CA C 95 45.500 45.841 -0.341 1 1 889 . 3 1 1 A 95 95 GLY N N 95 114.000 116.402 -2.402 1 1 890 . 3 1 1 A 96 96 THR H H 96 9.320 8.713 0.607 1 1 891 . 3 1 1 A 96 96 THR HA H 96 4.210 4.499 -0.289 1 1 896 . 3 1 1 A 96 96 THR C C 96 173.000 175.186 -2.186 1 1 897 . 3 1 1 A 96 96 THR CA C 96 61.800 63.359 -1.559 1 1 898 . 3 1 1 A 96 96 THR CB C 96 67.600 70.379 -2.779 1 1 900 . 3 1 1 A 96 96 THR N N 96 113.800 116.771 -2.971 1 1 901 . 3 1 1 A 97 97 GLY H H 97 8.600 8.155 0.445 1 1 902 . 3 1 1 A 97 97 GLY HA2 H 97 3.580 3.910 -0.330 1 1 903 . 3 1 1 A 97 97 GLY HA3 H 97 4.500 3.911 0.589 1 1 904 . 3 1 1 A 97 97 GLY C C 97 174.800 175.221 -0.421 1 1 905 . 3 1 1 A 97 97 GLY CA C 97 44.000 47.280 -3.280 1 1 906 . 3 1 1 A 97 97 GLY N N 97 110.900 111.207 -0.307 1 1 907 . 3 1 1 A 98 98 ARG H H 98 9.400 8.415 0.985 1 1 908 . 3 1 1 A 98 98 ARG HA H 98 4.110 4.112 -0.002 1 1 911 . 3 1 1 A 98 98 ARG C C 98 175.700 175.807 -0.107 1 1 912 . 3 1 1 A 98 98 ARG CA C 98 58.800 58.747 0.053 1 1 913 . 3 1 1 A 98 98 ARG CB C 98 30.700 30.586 0.114 1 1 914 . 3 1 1 A 98 98 ARG N N 98 125.500 126.630 -1.130 1 1 915 . 3 1 1 A 99 99 ARG H H 99 8.180 8.176 0.004 1 1 916 . 3 1 1 A 99 99 ARG HA H 99 4.640 4.743 -0.103 1 1 919 . 3 1 1 A 99 99 ARG C C 99 175.000 174.915 0.085 1 1 920 . 3 1 1 A 99 99 ARG CA C 99 53.100 54.797 -1.697 1 1 921 . 3 1 1 A 99 99 ARG CB C 99 33.200 32.125 1.075 1 1 922 . 3 1 1 A 99 99 ARG N N 99 114.300 118.661 -4.361 1 1 923 . 3 1 1 A 100 100 GLN H H 100 8.710 8.744 -0.034 1 1 924 . 3 1 1 A 100 100 GLN HA H 100 3.620 5.298 -1.678 1 1 929 . 3 1 1 A 100 100 GLN C C 100 173.900 175.150 -1.250 1 1 930 . 3 1 1 A 100 100 GLN CA C 100 56.400 55.381 1.019 1 1 931 . 3 1 1 A 100 100 GLN CB C 100 29.600 28.560 1.040 1 1 933 . 3 1 1 A 100 100 GLN N N 100 121.700 125.414 -3.714 1 1 934 . 3 1 1 A 101 101 HIS H H 101 7.900 8.592 -0.692 1 1 935 . 3 1 1 A 101 101 HIS HA H 101 4.530 4.752 -0.222 1 1 939 . 3 1 1 A 101 101 HIS C C 101 173.100 174.546 -1.446 1 1 940 . 3 1 1 A 101 101 HIS CA C 101 55.100 54.865 0.235 1 1 941 . 3 1 1 A 101 101 HIS CB C 101 32.100 29.804 2.296 1 1 942 . 3 1 1 A 101 101 HIS N N 101 130.600 128.178 2.422 1 1 943 . 3 1 1 A 102 102 LEU H H 102 8.080 8.428 -0.348 1 1 944 . 3 1 1 A 102 102 LEU HA H 102 4.060 4.132 -0.072 1 1 948 . 3 1 1 A 102 102 LEU C C 102 177.200 176.661 0.539 1 1 949 . 3 1 1 A 102 102 LEU CA C 102 54.900 55.281 -0.381 1 1 950 . 3 1 1 A 102 102 LEU CB C 102 41.600 41.962 -0.362 1 1 951 . 3 1 1 A 102 102 LEU N N 102 121.400 128.851 -7.451 1 1 952 . 3 1 1 A 103 103 LEU H H 103 8.260 8.445 -0.185 1 1 953 . 3 1 1 A 103 103 LEU HA H 103 4.490 4.769 -0.279 1 1 963 . 3 1 1 A 103 103 LEU C C 103 177.100 176.777 0.323 1 1 964 . 3 1 1 A 103 103 LEU CA C 103 53.400 53.734 -0.334 1 1 965 . 3 1 1 A 103 103 LEU CB C 103 42.600 43.358 -0.758 1 1 969 . 3 1 1 A 103 103 LEU N N 103 123.000 123.766 -0.766 1 1 970 . 3 1 1 A 104 104 GLY H H 104 8.820 8.798 0.022 1 1 971 . 3 1 1 A 104 104 GLY HA2 H 104 3.930 4.200 -0.270 1 1 972 . 3 1 1 A 104 104 GLY HA3 H 104 4.440 4.214 0.226 1 1 973 . 3 1 1 A 104 104 GLY CA C 104 44.500 43.751 0.749 1 1 974 . 3 1 1 A 104 104 GLY N N 104 110.200 108.003 2.197 1 1 975 . 3 1 1 A 105 105 PRO HA H 105 4.230 4.247 -0.017 1 1 978 . 3 1 1 A 105 105 PRO C C 105 178.900 178.816 0.084 1 1 979 . 3 1 1 A 105 105 PRO CA C 105 65.200 65.370 -0.170 1 1 980 . 3 1 1 A 105 105 PRO CB C 105 31.900 31.721 0.179 1 1 981 . 3 1 1 A 106 106 GLU H H 106 9.150 8.667 0.483 1 1 982 . 3 1 1 A 106 106 GLU HA H 106 4.080 4.059 0.021 1 1 987 . 3 1 1 A 106 106 GLU C C 106 178.500 179.443 -0.943 1 1 988 . 3 1 1 A 106 106 GLU CA C 106 58.600 59.260 -0.660 1 1 989 . 3 1 1 A 106 106 GLU CB C 106 28.500 28.907 -0.407 1 1 991 . 3 1 1 A 106 106 GLU N N 106 115.400 117.460 -2.060 1 1 992 . 3 1 1 A 107 107 GLN H H 107 7.680 7.656 0.024 1 1 993 . 3 1 1 A 107 107 GLN HA H 107 4.160 4.203 -0.043 1 1 998 . 3 1 1 A 107 107 GLN C C 107 175.200 177.880 -2.680 1 1 999 . 3 1 1 A 107 107 GLN CA C 107 58.500 58.330 0.170 1 1 1000 . 3 1 1 A 107 107 GLN CB C 107 29.400 29.047 0.353 1 1 1002 . 3 1 1 A 107 107 GLN N N 107 116.100 119.014 -2.914 1 1 1003 . 3 1 1 A 108 108 VAL H H 108 7.080 7.410 -0.330 1 1 1004 . 3 1 1 A 108 108 VAL HA H 108 4.270 3.990 0.280 1 1 1012 . 3 1 1 A 108 108 VAL C C 108 177.500 177.665 -0.165 1 1 1013 . 3 1 1 A 108 108 VAL CA C 108 62.000 64.308 -2.308 1 1 1014 . 3 1 1 A 108 108 VAL CB C 108 33.000 31.846 1.154 1 1 1017 . 3 1 1 A 108 108 VAL N N 108 104.800 115.637 -10.837 1 1 1018 . 3 1 1 A 109 109 ARG H H 109 8.220 7.695 0.525 1 1 1019 . 3 1 1 A 109 109 ARG HA H 109 4.060 4.096 -0.036 1 1 1024 . 3 1 1 A 109 109 ARG CA C 109 61.700 61.163 0.537 1 1 1025 . 3 1 1 A 109 109 ARG CB C 109 27.600 28.932 -1.332 1 1 1027 . 3 1 1 A 109 109 ARG N N 109 123.100 122.948 0.152 1 1 1028 . 3 1 1 A 110 110 PRO HA H 110 4.290 4.392 -0.102 1 1 1035 . 3 1 1 A 110 110 PRO C C 110 173.000 178.883 -5.883 1 1 1036 . 3 1 1 A 110 110 PRO CA C 110 65.800 65.299 0.501 1 1 1037 . 3 1 1 A 110 110 PRO CB C 110 31.400 30.928 0.472 1 1 1040 . 3 1 1 A 111 111 LEU H H 111 7.080 7.570 -0.490 1 1 1041 . 3 1 1 A 111 111 LEU HA H 111 4.050 4.067 -0.017 1 1 1051 . 3 1 1 A 111 111 LEU C C 111 178.800 179.513 -0.713 1 1 1052 . 3 1 1 A 111 111 LEU CA C 111 57.400 57.472 -0.072 1 1 1053 . 3 1 1 A 111 111 LEU CB C 111 40.100 41.568 -1.468 1 1 1056 . 3 1 1 A 111 111 LEU N N 111 117.700 117.299 0.401 1 1 1057 . 3 1 1 A 112 112 LEU H H 112 7.950 8.375 -0.425 1 1 1058 . 3 1 1 A 112 112 LEU HA H 112 4.050 4.132 -0.082 1 1 1068 . 3 1 1 A 112 112 LEU C C 112 169.000 179.607 -10.607 1 1 1069 . 3 1 1 A 112 112 LEU CA C 112 58.000 57.317 0.683 1 1 1070 . 3 1 1 A 112 112 LEU CB C 112 41.100 41.100 0.000 1 1 1074 . 3 1 1 A 112 112 LEU N N 112 121.700 119.134 2.566 1 1 1075 . 3 1 1 A 113 113 ALA H H 113 8.230 7.844 0.386 1 1 1076 . 3 1 1 A 113 113 ALA HA H 113 4.110 4.101 0.009 1 1 1080 . 3 1 1 A 113 113 ALA C C 113 178.700 179.443 -0.743 1 1 1081 . 3 1 1 A 113 113 ALA CA C 113 54.400 54.959 -0.559 1 1 1082 . 3 1 1 A 113 113 ALA CB C 113 18.100 18.125 -0.025 1 1 1083 . 3 1 1 A 113 113 ALA N N 113 120.900 122.678 -1.778 1 1 1084 . 3 1 1 A 114 114 MET H H 114 7.270 7.568 -0.298 1 1 1085 . 3 1 1 A 114 114 MET HA H 114 4.490 4.449 0.041 1 1 1093 . 3 1 1 A 114 114 MET C C 114 175.100 176.298 -1.198 1 1 1094 . 3 1 1 A 114 114 MET CA C 114 55.100 56.215 -1.115 1 1 1095 . 3 1 1 A 114 114 MET CB C 114 33.700 33.193 0.507 1 1 1098 . 3 1 1 A 114 114 MET N N 114 115.100 115.460 -0.360 1 1 1099 . 3 1 1 A 115 115 GLY H H 115 7.830 8.109 -0.279 1 1 1100 . 3 1 1 A 115 115 GLY HA2 H 115 3.660 4.064 -0.404 1 1 1101 . 3 1 1 A 115 115 GLY HA3 H 115 4.060 4.066 -0.006 1 1 1102 . 3 1 1 A 115 115 GLY C C 115 173.700 174.398 -0.698 1 1 1103 . 3 1 1 A 115 115 GLY CA C 115 45.600 44.912 0.688 1 1 1104 . 3 1 1 A 115 115 GLY N N 115 106.300 105.974 0.326 1 1 1105 . 3 1 1 A 116 116 VAL H H 116 7.710 7.855 -0.145 1 1 1106 . 3 1 1 A 116 116 VAL HA H 116 3.820 4.209 -0.389 1 1 1114 . 3 1 1 A 116 116 VAL C C 116 174.800 175.704 -0.904 1 1 1115 . 3 1 1 A 116 116 VAL CA C 116 61.200 62.759 -1.559 1 1 1116 . 3 1 1 A 116 116 VAL CB C 116 32.800 31.490 1.310 1 1 1119 . 3 1 1 A 116 116 VAL N N 116 123.600 122.203 1.397 1 1 1120 . 3 1 1 A 117 117 GLY H H 117 7.730 8.894 -1.164 1 1 1121 . 3 1 1 A 117 117 GLY HA2 H 117 3.570 3.950 -0.380 1 1 1122 . 3 1 1 A 117 117 GLY HA3 H 117 4.040 3.952 0.088 1 1 1123 . 3 1 1 A 117 117 GLY C C 117 172.600 172.936 -0.336 1 1 1124 . 3 1 1 A 117 117 GLY CA C 117 45.500 46.071 -0.571 1 1 1125 . 3 1 1 A 117 117 GLY N N 117 111.400 114.904 -3.504 1 1 1126 . 3 1 1 A 118 118 VAL H H 118 7.740 8.188 -0.448 1 1 1127 . 3 1 1 A 118 118 VAL HA H 118 5.100 4.782 0.318 1 1 1135 . 3 1 1 A 118 118 VAL C C 118 175.500 175.511 -0.011 1 1 1136 . 3 1 1 A 118 118 VAL CA C 118 61.000 62.455 -1.455 1 1 1137 . 3 1 1 A 118 118 VAL CB C 118 34.300 32.337 1.963 1 1 1140 . 3 1 1 A 118 118 VAL N N 118 120.900 127.256 -6.356 1 1 1141 . 3 1 1 A 119 119 GLU H H 119 8.490 9.344 -0.854 1 1 1142 . 3 1 1 A 119 119 GLU HA H 119 4.630 5.054 -0.424 1 1 1147 . 3 1 1 A 119 119 GLU C C 119 173.500 175.051 -1.551 1 1 1148 . 3 1 1 A 119 119 GLU CA C 119 54.600 54.648 -0.048 1 1 1149 . 3 1 1 A 119 119 GLU CB C 119 32.300 33.442 -1.142 1 1 1151 . 3 1 1 A 119 119 GLU N N 119 127.000 126.317 0.683 1 1 1152 . 3 1 1 A 120 120 ALA H H 120 8.600 8.869 -0.269 1 1 1153 . 3 1 1 A 120 120 ALA HA H 120 5.530 5.340 0.190 1 1 1157 . 3 1 1 A 120 120 ALA C C 120 177.100 176.775 0.325 1 1 1158 . 3 1 1 A 120 120 ALA CA C 120 50.300 50.370 -0.070 1 1 1159 . 3 1 1 A 120 120 ALA CB C 120 20.800 21.020 -0.220 1 1 1160 . 3 1 1 A 120 120 ALA N N 120 126.500 125.556 0.944 1 1 1161 . 3 1 1 A 121 121 MET H H 121 9.430 9.301 0.129 1 1 1162 . 3 1 1 A 121 121 MET HA H 121 4.630 5.073 -0.443 1 1 1170 . 3 1 1 A 121 121 MET C C 121 173.300 175.034 -1.734 1 1 1171 . 3 1 1 A 121 121 MET CA C 121 54.600 54.117 0.483 1 1 1172 . 3 1 1 A 121 121 MET CB C 121 36.800 37.788 -0.988 1 1 1175 . 3 1 1 A 121 121 MET N N 121 120.400 120.309 0.091 1 1 1176 . 3 1 1 A 122 122 ASP H H 122 8.460 8.862 -0.402 1 1 1177 . 3 1 1 A 122 122 ASP HA H 122 4.170 4.949 -0.779 1 1 1180 . 3 1 1 A 122 122 ASP C C 122 175.200 177.469 -2.269 1 1 1181 . 3 1 1 A 122 122 ASP CA C 122 55.000 52.754 2.246 1 1 1182 . 3 1 1 A 122 122 ASP CB C 122 41.000 41.309 -0.309 1 1 1183 . 3 1 1 A 122 122 ASP N N 122 116.700 119.873 -3.173 1 1 1184 . 3 1 1 A 123 123 THR H H 123 9.580 8.922 0.658 1 1 1185 . 3 1 1 A 123 123 THR HA H 123 3.670 3.953 -0.283 1 1 1191 . 3 1 1 A 123 123 THR C C 123 174.400 176.349 -1.949 1 1 1192 . 3 1 1 A 123 123 THR CA C 123 68.700 66.279 2.421 1 1 1193 . 3 1 1 A 123 123 THR CB C 123 68.800 68.762 0.038 1 1 1195 . 3 1 1 A 123 123 THR N N 123 119.600 114.768 4.832 1 1 1196 . 3 1 1 A 124 124 GLN H H 124 8.580 7.837 0.743 1 1 1197 . 3 1 1 A 124 124 GLN HA H 124 3.240 4.056 -0.816 1 1 1202 . 3 1 1 A 124 124 GLN C C 124 177.700 177.893 -0.193 1 1 1203 . 3 1 1 A 124 124 GLN CA C 124 60.100 58.796 1.304 1 1 1204 . 3 1 1 A 124 124 GLN CB C 124 27.400 28.843 -1.443 1 1 1206 . 3 1 1 A 124 124 GLN N N 124 121.500 120.415 1.085 1 1 1207 . 3 1 1 A 125 125 ALA H H 125 8.210 8.614 -0.404 1 1 1208 . 3 1 1 A 125 125 ALA HA H 125 3.960 4.136 -0.176 1 1 1212 . 3 1 1 A 125 125 ALA C C 125 167.800 180.218 -12.418 1 1 1213 . 3 1 1 A 125 125 ALA CA C 125 54.800 55.061 -0.261 1 1 1214 . 3 1 1 A 125 125 ALA CB C 125 18.700 18.051 0.649 1 1 1215 . 3 1 1 A 125 125 ALA N N 125 122.600 121.604 0.996 1 1 1216 . 3 1 1 A 126 126 ALA H H 126 8.900 8.306 0.594 1 1 1217 . 3 1 1 A 126 126 ALA HA H 126 4.110 3.999 0.111 1 1 1221 . 3 1 1 A 126 126 ALA C C 126 178.500 179.360 -0.860 1 1 1222 . 3 1 1 A 126 126 ALA CA C 126 55.300 54.959 0.341 1 1 1223 . 3 1 1 A 126 126 ALA CB C 126 18.100 18.643 -0.543 1 1 1224 . 3 1 1 A 126 126 ALA N N 126 124.600 119.883 4.717 1 1 1225 . 3 1 1 A 127 127 ALA H H 127 8.440 7.731 0.709 1 1 1226 . 3 1 1 A 127 127 ALA HA H 127 3.850 3.994 -0.144 1 1 1230 . 3 1 1 A 127 127 ALA C C 127 178.400 179.483 -1.083 1 1 1231 . 3 1 1 A 127 127 ALA CA C 127 55.500 55.095 0.405 1 1 1232 . 3 1 1 A 127 127 ALA CB C 127 18.500 17.807 0.693 1 1 1233 . 3 1 1 A 127 127 ALA N N 127 120.200 119.409 0.791 1 1 1234 . 3 1 1 A 128 128 ARG H H 128 7.790 7.809 -0.019 1 1 1235 . 3 1 1 A 128 128 ARG HA H 128 4.020 4.134 -0.114 1 1 1240 . 3 1 1 A 128 128 ARG C C 128 179.400 178.918 0.482 1 1 1241 . 3 1 1 A 128 128 ARG CA C 128 59.600 58.961 0.639 1 1 1242 . 3 1 1 A 128 128 ARG CB C 128 30.800 30.143 0.657 1 1 1244 . 3 1 1 A 128 128 ARG N N 128 115.900 119.009 -3.109 1 1 1245 . 3 1 1 A 129 129 THR H H 129 8.440 8.446 -0.006 1 1 1246 . 3 1 1 A 129 129 THR HA H 129 3.770 3.948 -0.178 1 1 1251 . 3 1 1 A 129 129 THR C C 129 175.300 176.068 -0.768 1 1 1252 . 3 1 1 A 129 129 THR CA C 129 67.300 66.308 0.992 1 1 1253 . 3 1 1 A 129 129 THR CB C 129 68.300 68.494 -0.194 1 1 1255 . 3 1 1 A 129 129 THR N N 129 116.400 115.722 0.678 1 1 1256 . 3 1 1 A 130 130 TYR H H 130 8.790 8.321 0.469 1 1 1257 . 3 1 1 A 130 130 TYR HA H 130 3.600 4.044 -0.444 1 1 1262 . 3 1 1 A 130 130 TYR C C 130 175.500 177.484 -1.984 1 1 1263 . 3 1 1 A 130 130 TYR CA C 130 62.600 62.362 0.238 1 1 1264 . 3 1 1 A 130 130 TYR CB C 130 37.500 38.533 -1.033 1 1 1265 . 3 1 1 A 130 130 TYR N N 130 123.500 122.459 1.041 1 1 1266 . 3 1 1 A 131 131 ASN H H 131 7.800 7.969 -0.169 1 1 1267 . 3 1 1 A 131 131 ASN HA H 131 4.220 4.215 0.005 1 1 1270 . 3 1 1 A 131 131 ASN C C 131 179.200 178.116 1.084 1 1 1271 . 3 1 1 A 131 131 ASN CA C 131 55.500 56.215 -0.715 1 1 1272 . 3 1 1 A 131 131 ASN CB C 131 37.100 37.709 -0.609 1 1 1273 . 3 1 1 A 131 131 ASN N N 131 117.700 118.023 -0.323 1 1 1274 . 3 1 1 A 132 132 ILE H H 132 7.520 7.689 -0.169 1 1 1275 . 3 1 1 A 132 132 ILE HA H 132 3.710 3.617 0.093 1 1 1285 . 3 1 1 A 132 132 ILE C C 132 178.100 178.271 -0.171 1 1 1286 . 3 1 1 A 132 132 ILE CA C 132 64.900 65.507 -0.607 1 1 1287 . 3 1 1 A 132 132 ILE CB C 132 38.500 37.885 0.615 1 1 1291 . 3 1 1 A 132 132 ILE N N 132 121.000 120.253 0.747 1 1 1292 . 3 1 1 A 133 133 LEU H H 133 8.420 8.690 -0.270 1 1 1293 . 3 1 1 A 133 133 LEU HA H 133 3.910 3.990 -0.080 1 1 1303 . 3 1 1 A 133 133 LEU C C 133 179.600 179.322 0.278 1 1 1304 . 3 1 1 A 133 133 LEU CA C 133 57.900 57.705 0.195 1 1 1305 . 3 1 1 A 133 133 LEU CB C 133 41.700 40.723 0.977 1 1 1309 . 3 1 1 A 133 133 LEU N N 133 120.500 118.762 1.738 1 1 1310 . 3 1 1 A 134 134 MET H H 134 8.990 8.134 0.856 1 1 1311 . 3 1 1 A 134 134 MET HA H 134 3.870 4.081 -0.211 1 1 1319 . 3 1 1 A 134 134 MET C C 134 167.400 177.956 -10.556 1 1 1320 . 3 1 1 A 134 134 MET CA C 134 58.400 58.225 0.175 1 1 1321 . 3 1 1 A 134 134 MET CB C 134 30.700 31.926 -1.226 1 1 1324 . 3 1 1 A 134 134 MET N N 134 119.900 118.706 1.194 1 1 1325 . 3 1 1 A 135 135 ALA H H 135 7.490 7.709 -0.219 1 1 1326 . 3 1 1 A 135 135 ALA HA H 135 4.060 4.061 -0.001 1 1 1330 . 3 1 1 A 135 135 ALA C C 135 179.100 179.672 -0.572 1 1 1331 . 3 1 1 A 135 135 ALA CA C 135 54.700 54.588 0.112 1 1 1332 . 3 1 1 A 135 135 ALA CB C 135 18.000 18.234 -0.234 1 1 1333 . 3 1 1 A 135 135 ALA N N 135 124.600 120.645 3.955 1 1 1334 . 3 1 1 A 136 136 GLU H H 136 7.540 7.629 -0.089 1 1 1335 . 3 1 1 A 136 136 GLU HA H 136 4.230 4.193 0.037 1 1 1340 . 3 1 1 A 136 136 GLU C C 136 176.900 177.011 -0.111 1 1 1341 . 3 1 1 A 136 136 GLU CA C 136 56.400 56.669 -0.269 1 1 1342 . 3 1 1 A 136 136 GLU CB C 136 30.300 29.681 0.619 1 1 1344 . 3 1 1 A 136 136 GLU N N 136 116.500 115.789 0.711 1 1 1345 . 3 1 1 A 137 137 GLY H H 137 7.870 7.876 -0.006 1 1 1346 . 3 1 1 A 137 137 GLY HA2 H 137 3.760 3.865 -0.105 1 1 1347 . 3 1 1 A 137 137 GLY HA3 H 137 4.140 3.873 0.267 1 1 1348 . 3 1 1 A 137 137 GLY C C 137 175.100 174.222 0.878 1 1 1349 . 3 1 1 A 137 137 GLY CA C 137 45.600 45.474 0.126 1 1 1350 . 3 1 1 A 137 137 GLY N N 137 107.100 108.131 -1.031 1 1 1351 . 3 1 1 A 138 138 ARG H H 138 7.580 7.143 0.437 1 1 1352 . 3 1 1 A 138 138 ARG HA H 138 4.270 4.452 -0.182 1 1 1357 . 3 1 1 A 138 138 ARG C C 138 176.900 175.912 0.988 1 1 1358 . 3 1 1 A 138 138 ARG CA C 138 54.500 55.184 -0.684 1 1 1359 . 3 1 1 A 138 138 ARG CB C 138 30.100 31.419 -1.319 1 1 1361 . 3 1 1 A 138 138 ARG N N 138 118.100 119.819 -1.719 1 1 1362 . 3 1 1 A 139 139 ARG H H 139 9.240 8.415 0.825 1 1 1363 . 3 1 1 A 139 139 ARG HA H 139 4.470 4.511 -0.041 1 1 1370 . 3 1 1 A 139 139 ARG C C 139 174.400 175.136 -0.736 1 1 1371 . 3 1 1 A 139 139 ARG CA C 139 55.700 55.727 -0.027 1 1 1372 . 3 1 1 A 139 139 ARG CB C 139 28.000 29.403 -1.403 1 1 1375 . 3 1 1 A 139 139 ARG N N 139 124.400 121.723 2.677 1 1 1376 . 3 1 1 A 140 140 VAL H H 140 7.250 8.536 -1.286 1 1 1377 . 3 1 1 A 140 140 VAL HA H 140 5.180 5.081 0.099 1 1 1385 . 3 1 1 A 140 140 VAL C C 140 172.800 174.207 -1.407 1 1 1386 . 3 1 1 A 140 140 VAL CA C 140 57.700 60.343 -2.643 1 1 1387 . 3 1 1 A 140 140 VAL CB C 140 34.700 34.132 0.568 1 1 1390 . 3 1 1 A 140 140 VAL N N 140 121.900 125.014 -3.114 1 1 1391 . 3 1 1 A 141 141 VAL H H 141 8.180 8.926 -0.746 1 1 1392 . 3 1 1 A 141 141 VAL HA H 141 4.510 4.977 -0.467 1 1 1400 . 3 1 1 A 141 141 VAL C C 141 172.600 174.130 -1.530 1 1 1401 . 3 1 1 A 141 141 VAL CA C 141 60.300 60.539 -0.239 1 1 1402 . 3 1 1 A 141 141 VAL CB C 141 35.600 34.423 1.177 1 1 1405 . 3 1 1 A 141 141 VAL N N 141 123.900 128.250 -4.350 1 1 1406 . 3 1 1 A 142 142 VAL H H 142 8.430 8.554 -0.124 1 1 1407 . 3 1 1 A 142 142 VAL HA H 142 5.220 4.939 0.281 1 1 1415 . 3 1 1 A 142 142 VAL C C 142 170.000 172.643 -2.643 1 1 1416 . 3 1 1 A 142 142 VAL CA C 142 57.600 58.938 -1.338 1 1 1417 . 3 1 1 A 142 142 VAL CB C 142 35.500 34.187 1.313 1 1 1420 . 3 1 1 A 142 142 VAL N N 142 124.600 127.885 -3.285 1 1 1421 . 3 1 1 A 143 143 ALA H H 143 8.220 8.912 -0.692 1 1 1422 . 3 1 1 A 143 143 ALA HA H 143 4.680 5.072 -0.392 1 1 1426 . 3 1 1 A 143 143 ALA C C 143 175.400 175.555 -0.155 1 1 1427 . 3 1 1 A 143 143 ALA CA C 143 49.900 49.833 0.067 1 1 1428 . 3 1 1 A 143 143 ALA CB C 143 19.600 20.811 -1.211 1 1 1429 . 3 1 1 A 143 143 ALA N N 143 129.100 130.037 -0.937 1 1 1430 . 3 1 1 A 144 144 LEU H H 144 9.070 9.311 -0.241 1 1 1431 . 3 1 1 A 144 144 LEU HA H 144 4.840 5.189 -0.349 1 1 1441 . 3 1 1 A 144 144 LEU CA C 144 53.400 53.557 -0.157 1 1 1442 . 3 1 1 A 144 144 LEU CB C 144 46.500 43.374 3.126 1 1 1445 . 3 1 1 A 144 144 LEU N N 144 119.600 123.655 -4.055 1 1 1446 . 3 1 1 A 145 145 LEU HA H 145 4.830 4.892 -0.062 1 1 1456 . 3 1 1 A 145 145 LEU CA C 145 51.800 52.379 -0.579 1 1 1457 . 3 1 1 A 145 145 LEU CB C 145 41.700 42.870 -1.170 1 1 1461 . 3 1 1 A 146 146 PRO HA H 146 4.330 4.753 -0.423 1 1 1466 . 3 1 1 A 146 146 PRO C C 146 175.700 176.560 -0.860 1 1 1467 . 3 1 1 A 146 146 PRO CA C 146 62.800 62.134 0.666 1 1 1468 . 3 1 1 A 146 146 PRO CB C 146 31.500 33.125 -1.625 1 1 1470 . 3 1 1 A 147 147 ASP H H 147 8.660 8.821 -0.161 1 1 1471 . 3 1 1 A 147 147 ASP HA H 147 4.510 4.537 -0.027 1 1 1474 . 3 1 1 A 147 147 ASP C C 147 176.300 176.312 -0.012 1 1 1475 . 3 1 1 A 147 147 ASP CA C 147 54.300 55.667 -1.367 1 1 1476 . 3 1 1 A 147 147 ASP CB C 147 42.100 41.680 0.420 1 1 1477 . 3 1 1 A 147 147 ASP N N 147 120.700 121.515 -0.815 1 1 1478 . 3 1 1 A 148 148 GLY H H 148 8.310 7.735 0.575 1 1 1479 . 3 1 1 A 148 148 GLY HA2 H 148 4.020 4.086 -0.066 1 1 1480 . 3 1 1 A 148 148 GLY HA3 H 148 4.050 4.090 -0.040 1 1 1481 . 3 1 1 A 148 148 GLY C C 148 173.600 174.365 -0.765 1 1 1482 . 3 1 1 A 148 148 GLY CA C 148 45.200 45.519 -0.319 1 1 1483 . 3 1 1 A 148 148 GLY N N 148 109.400 106.957 2.443 1 1 1484 . 3 1 1 A 149 149 ASP H H 149 8.550 8.023 0.527 1 1 1485 . 3 1 1 A 149 149 ASP HA H 149 4.650 4.827 -0.177 1 1 1488 . 3 1 1 A 149 149 ASP C C 149 176.700 175.465 1.235 1 1 1489 . 3 1 1 A 149 149 ASP CA C 149 54.500 54.271 0.229 1 1 1490 . 3 1 1 A 149 149 ASP CB C 149 41.600 42.053 -0.453 1 1 1491 . 3 1 1 A 149 149 ASP N N 149 120.800 122.691 -1.891 1 1 1492 . 3 1 1 A 150 150 SER H H 150 8.600 8.811 -0.211 1 1 1493 . 3 1 1 A 150 150 SER HA H 150 4.350 4.997 -0.647 1 1 1496 . 3 1 1 A 150 150 SER C C 150 175.000 173.900 1.100 1 1 1497 . 3 1 1 A 150 150 SER CA C 150 58.900 57.304 1.596 1 1 1498 . 3 1 1 A 150 150 SER CB C 150 63.500 67.412 -3.912 1 1 1499 . 3 1 1 A 150 150 SER N N 150 116.400 122.034 -5.634 1 1 1500 . 3 1 1 A 151 151 LEU H H 151 8.290 8.465 -0.175 1 1 1501 . 3 1 1 A 151 151 LEU CA C 151 55.500 57.280 -1.780 1 1 1502 . 3 1 1 A 151 151 LEU CB C 151 41.900 41.510 0.390 1 1 5 . 4 1 1 A 4 4 HIS C C 4 174.800 174.410 0.390 1 1 6 . 4 1 1 A 4 4 HIS CA C 4 55.900 54.224 1.676 1 1 7 . 4 1 1 A 4 4 HIS CB C 4 30.000 31.133 -1.133 1 1 8 . 4 1 1 A 5 5 THR H H 5 7.990 8.691 -0.701 1 1 9 . 4 1 1 A 5 5 THR C C 5 173.800 174.029 -0.229 1 1 10 . 4 1 1 A 5 5 THR CA C 5 61.500 61.480 0.020 1 1 11 . 4 1 1 A 5 5 THR CB C 5 69.900 69.608 0.292 1 1 12 . 4 1 1 A 5 5 THR N N 5 115.300 116.565 -1.265 1 1 13 . 4 1 1 A 6 6 ASP H H 6 8.370 9.030 -0.660 1 1 14 . 4 1 1 A 6 6 ASP HA H 6 4.860 4.224 0.636 1 1 17 . 4 1 1 A 6 6 ASP CA C 6 52.500 54.785 -2.285 1 1 18 . 4 1 1 A 6 6 ASP CB C 6 41.100 39.279 1.821 1 1 19 . 4 1 1 A 6 6 ASP N N 6 124.400 119.352 5.048 1 1 20 . 4 1 1 A 7 7 PRO HA H 7 4.350 4.605 -0.255 1 1 26 . 4 1 1 A 7 7 PRO C C 7 176.900 176.144 0.756 1 1 27 . 4 1 1 A 7 7 PRO CA C 7 63.500 63.962 -0.462 1 1 28 . 4 1 1 A 7 7 PRO CB C 7 32.100 32.905 -0.805 1 1 31 . 4 1 1 A 8 8 ALA H H 8 8.420 8.019 0.401 1 1 32 . 4 1 1 A 8 8 ALA HA H 8 4.260 4.406 -0.146 1 1 36 . 4 1 1 A 8 8 ALA C C 8 178.100 177.056 1.044 1 1 37 . 4 1 1 A 8 8 ALA CA C 8 52.900 51.587 1.313 1 1 38 . 4 1 1 A 8 8 ALA CB C 8 19.200 18.702 0.498 1 1 39 . 4 1 1 A 8 8 ALA N N 8 122.700 121.859 0.841 1 1 40 . 4 1 1 A 9 9 THR H H 9 7.880 8.135 -0.255 1 1 41 . 4 1 1 A 9 9 THR HA H 9 4.230 4.639 -0.409 1 1 46 . 4 1 1 A 9 9 THR C C 9 173.800 175.206 -1.406 1 1 47 . 4 1 1 A 9 9 THR CA C 9 61.700 61.009 0.691 1 1 48 . 4 1 1 A 9 9 THR CB C 9 69.700 70.752 -1.052 1 1 50 . 4 1 1 A 9 9 THR N N 9 112.900 115.296 -2.396 1 1 51 . 4 1 1 A 10 10 ALA H H 10 8.160 8.674 -0.514 1 1 52 . 4 1 1 A 10 10 ALA HA H 10 4.340 4.357 -0.017 1 1 56 . 4 1 1 A 10 10 ALA C C 10 177.000 175.818 1.182 1 1 57 . 4 1 1 A 10 10 ALA CA C 10 52.300 52.146 0.154 1 1 58 . 4 1 1 A 10 10 ALA CB C 10 19.400 17.439 1.961 1 1 59 . 4 1 1 A 10 10 ALA N N 10 127.000 123.648 3.352 1 1 60 . 4 1 1 A 11 11 LEU H H 11 8.040 7.896 0.144 1 1 61 . 4 1 1 A 11 11 LEU HA H 11 4.640 4.781 -0.141 1 1 70 . 4 1 1 A 11 11 LEU C C 11 178.300 175.552 2.748 1 1 71 . 4 1 1 A 11 11 LEU CA C 11 54.000 54.221 -0.221 1 1 72 . 4 1 1 A 11 11 LEU CB C 11 42.900 43.162 -0.262 1 1 75 . 4 1 1 A 11 11 LEU N N 11 121.500 119.085 2.415 1 1 76 . 4 1 1 A 12 12 ASN H H 12 9.700 8.619 1.081 1 1 77 . 4 1 1 A 12 12 ASN HA H 12 4.760 4.999 -0.239 1 1 80 . 4 1 1 A 12 12 ASN C C 12 174.700 175.170 -0.470 1 1 81 . 4 1 1 A 12 12 ASN CA C 12 54.100 53.495 0.605 1 1 82 . 4 1 1 A 12 12 ASN CB C 12 38.100 38.307 -0.207 1 1 83 . 4 1 1 A 12 12 ASN N N 12 121.500 123.037 -1.537 1 1 84 . 4 1 1 A 13 13 THR H H 13 8.710 8.869 -0.159 1 1 85 . 4 1 1 A 13 13 THR HA H 13 4.760 5.037 -0.277 1 1 90 . 4 1 1 A 13 13 THR C C 13 173.600 174.169 -0.569 1 1 91 . 4 1 1 A 13 13 THR CA C 13 61.900 61.858 0.042 1 1 92 . 4 1 1 A 13 13 THR CB C 13 71.500 71.257 0.243 1 1 94 . 4 1 1 A 13 13 THR N N 13 121.800 121.242 0.558 1 1 95 . 4 1 1 A 14 14 VAL H H 14 9.500 9.067 0.433 1 1 96 . 4 1 1 A 14 14 VAL HA H 14 4.660 4.072 0.588 1 1 104 . 4 1 1 A 14 14 VAL C C 14 177.000 176.515 0.485 1 1 105 . 4 1 1 A 14 14 VAL CA C 14 63.800 63.530 0.270 1 1 106 . 4 1 1 A 14 14 VAL CB C 14 30.600 31.065 -0.465 1 1 109 . 4 1 1 A 14 14 VAL N N 14 126.700 126.129 0.571 1 1 110 . 4 1 1 A 15 15 THR H H 15 8.900 8.474 0.426 1 1 111 . 4 1 1 A 15 15 THR HA H 15 4.300 4.200 0.100 1 1 116 . 4 1 1 A 15 15 THR C C 15 174.900 174.813 0.087 1 1 117 . 4 1 1 A 15 15 THR CA C 15 62.800 64.607 -1.807 1 1 118 . 4 1 1 A 15 15 THR CB C 15 68.700 69.095 -0.395 1 1 120 . 4 1 1 A 15 15 THR N N 15 122.000 121.119 0.881 1 1 121 . 4 1 1 A 16 16 ALA H H 16 7.960 7.756 0.204 1 1 122 . 4 1 1 A 16 16 ALA HA H 16 4.360 4.799 -0.439 1 1 126 . 4 1 1 A 16 16 ALA C C 16 174.400 174.762 -0.362 1 1 127 . 4 1 1 A 16 16 ALA CA C 16 52.600 51.303 1.297 1 1 128 . 4 1 1 A 16 16 ALA CB C 16 21.900 21.579 0.321 1 1 129 . 4 1 1 A 16 16 ALA N N 16 120.900 119.858 1.042 1 1 130 . 4 1 1 A 17 17 TYR H H 17 7.790 8.825 -1.035 1 1 131 . 4 1 1 A 17 17 TYR HA H 17 4.390 5.270 -0.880 1 1 136 . 4 1 1 A 17 17 TYR C C 17 173.000 174.722 -1.722 1 1 137 . 4 1 1 A 17 17 TYR CA C 17 56.400 55.893 0.507 1 1 138 . 4 1 1 A 17 17 TYR CB C 17 39.700 42.324 -2.624 1 1 141 . 4 1 1 A 17 17 TYR N N 17 114.800 124.630 -9.830 1 1 142 . 4 1 1 A 18 18 GLY H H 18 7.030 7.719 -0.689 1 1 143 . 4 1 1 A 18 18 GLY HA2 H 18 3.210 3.851 -0.641 1 1 144 . 4 1 1 A 18 18 GLY HA3 H 18 3.900 3.881 0.019 1 1 145 . 4 1 1 A 18 18 GLY C C 18 172.200 171.392 0.808 1 1 146 . 4 1 1 A 18 18 GLY CA C 18 44.900 45.563 -0.663 1 1 147 . 4 1 1 A 18 18 GLY N N 18 108.600 111.608 -3.008 1 1 148 . 4 1 1 A 19 19 ASP H H 19 8.410 8.006 0.404 1 1 149 . 4 1 1 A 19 19 ASP HA H 19 4.320 4.902 -0.582 1 1 152 . 4 1 1 A 19 19 ASP C C 19 176.500 175.571 0.929 1 1 153 . 4 1 1 A 19 19 ASP CA C 19 55.600 53.149 2.451 1 1 154 . 4 1 1 A 19 19 ASP CB C 19 39.500 44.137 -4.637 1 1 155 . 4 1 1 A 19 19 ASP N N 19 120.400 120.269 0.131 1 1 156 . 4 1 1 A 20 20 GLY H H 20 8.670 8.251 0.419 1 1 157 . 4 1 1 A 20 20 GLY HA2 H 20 3.670 3.919 -0.249 1 1 158 . 4 1 1 A 20 20 GLY HA3 H 20 4.210 3.939 0.271 1 1 159 . 4 1 1 A 20 20 GLY C C 20 173.900 173.346 0.554 1 1 160 . 4 1 1 A 20 20 GLY CA C 20 45.800 46.627 -0.827 1 1 161 . 4 1 1 A 20 20 GLY N N 20 113.500 112.877 0.623 1 1 162 . 4 1 1 A 21 21 TYR H H 21 7.530 7.998 -0.468 1 1 163 . 4 1 1 A 21 21 TYR HA H 21 5.480 5.378 0.102 1 1 168 . 4 1 1 A 21 21 TYR C C 21 172.800 174.267 -1.467 1 1 169 . 4 1 1 A 21 21 TYR CA C 21 56.700 55.608 1.092 1 1 170 . 4 1 1 A 21 21 TYR CB C 21 41.400 42.076 -0.676 1 1 173 . 4 1 1 A 21 21 TYR N N 21 114.300 120.959 -6.659 1 1 174 . 4 1 1 A 22 22 ILE H H 22 8.780 8.583 0.197 1 1 175 . 4 1 1 A 22 22 ILE HA H 22 4.350 5.061 -0.711 1 1 185 . 4 1 1 A 22 22 ILE C C 22 173.800 174.662 -0.862 1 1 186 . 4 1 1 A 22 22 ILE CA C 22 60.200 60.198 0.002 1 1 187 . 4 1 1 A 22 22 ILE CB C 22 41.700 41.656 0.044 1 1 191 . 4 1 1 A 22 22 ILE N N 22 119.300 120.005 -0.705 1 1 192 . 4 1 1 A 23 23 GLU H H 23 9.010 9.264 -0.254 1 1 193 . 4 1 1 A 23 23 GLU HA H 23 5.680 5.422 0.258 1 1 198 . 4 1 1 A 23 23 GLU C C 23 175.000 175.233 -0.233 1 1 199 . 4 1 1 A 23 23 GLU CA C 23 54.300 54.932 -0.632 1 1 200 . 4 1 1 A 23 23 GLU CB C 23 33.500 32.696 0.804 1 1 202 . 4 1 1 A 23 23 GLU N N 23 127.800 128.379 -0.579 1 1 203 . 4 1 1 A 24 24 VAL H H 24 8.980 8.900 0.080 1 1 204 . 4 1 1 A 24 24 VAL HA H 24 4.840 4.639 0.201 1 1 212 . 4 1 1 A 24 24 VAL C C 24 177.300 176.117 1.183 1 1 213 . 4 1 1 A 24 24 VAL CA C 24 60.600 61.243 -0.643 1 1 214 . 4 1 1 A 24 24 VAL CB C 24 33.600 34.197 -0.597 1 1 217 . 4 1 1 A 24 24 VAL N N 24 125.400 126.771 -1.371 1 1 218 . 4 1 1 A 25 25 ASN H H 25 9.340 9.561 -0.221 1 1 219 . 4 1 1 A 25 25 ASN HA H 25 4.340 4.352 -0.012 1 1 222 . 4 1 1 A 25 25 ASN C C 25 173.800 174.244 -0.444 1 1 223 . 4 1 1 A 25 25 ASN CA C 25 54.600 54.273 0.327 1 1 224 . 4 1 1 A 25 25 ASN CB C 25 36.600 37.182 -0.582 1 1 225 . 4 1 1 A 25 25 ASN N N 25 127.800 126.720 1.080 1 1 226 . 4 1 1 A 26 26 GLN H H 26 7.920 8.620 -0.700 1 1 227 . 4 1 1 A 26 26 GLN HA H 26 3.670 3.837 -0.167 1 1 232 . 4 1 1 A 26 26 GLN C C 26 174.400 174.216 0.184 1 1 233 . 4 1 1 A 26 26 GLN CA C 26 58.100 57.451 0.649 1 1 234 . 4 1 1 A 26 26 GLN CB C 26 26.500 26.676 -0.176 1 1 236 . 4 1 1 A 26 26 GLN N N 26 104.100 109.091 -4.991 1 1 237 . 4 1 1 A 27 27 VAL H H 27 7.850 7.510 0.340 1 1 238 . 4 1 1 A 27 27 VAL HA H 27 3.900 4.250 -0.350 1 1 246 . 4 1 1 A 27 27 VAL C C 27 174.200 174.415 -0.215 1 1 247 . 4 1 1 A 27 27 VAL CA C 27 62.100 60.743 1.357 1 1 248 . 4 1 1 A 27 27 VAL CB C 27 32.500 34.286 -1.786 1 1 251 . 4 1 1 A 27 27 VAL N N 27 123.100 118.850 4.250 1 1 252 . 4 1 1 A 28 28 ARG H H 28 8.430 8.674 -0.244 1 1 253 . 4 1 1 A 28 28 ARG HA H 28 4.320 4.707 -0.387 1 1 256 . 4 1 1 A 28 28 ARG C C 28 175.200 174.692 0.508 1 1 257 . 4 1 1 A 28 28 ARG CA C 28 57.100 55.286 1.814 1 1 258 . 4 1 1 A 28 28 ARG CB C 28 31.300 30.857 0.443 1 1 259 . 4 1 1 A 28 28 ARG N N 28 126.200 127.397 -1.197 1 1 260 . 4 1 1 A 29 29 PHE H H 29 9.290 9.539 -0.249 1 1 261 . 4 1 1 A 29 29 PHE HA H 29 4.580 4.694 -0.114 1 1 266 . 4 1 1 A 29 29 PHE C C 29 175.800 175.552 0.248 1 1 267 . 4 1 1 A 29 29 PHE CA C 29 57.700 57.142 0.558 1 1 268 . 4 1 1 A 29 29 PHE CB C 29 42.000 39.594 2.406 1 1 271 . 4 1 1 A 29 29 PHE N N 29 123.900 125.516 -1.616 1 1 272 . 4 1 1 A 30 30 SER H H 30 8.950 8.803 0.147 1 1 273 . 4 1 1 A 30 30 SER HA H 30 5.130 4.784 0.346 1 1 276 . 4 1 1 A 30 30 SER C C 30 172.900 173.448 -0.548 1 1 277 . 4 1 1 A 30 30 SER CA C 30 57.000 58.205 -1.205 1 1 278 . 4 1 1 A 30 30 SER CB C 30 63.200 63.332 -0.132 1 1 279 . 4 1 1 A 30 30 SER N N 30 119.400 120.052 -0.652 1 1 280 . 4 1 1 A 31 31 HIS H H 31 7.170 7.313 -0.143 1 1 281 . 4 1 1 A 31 31 HIS HA H 31 4.840 5.120 -0.280 1 1 284 . 4 1 1 A 31 31 HIS C C 31 171.900 172.967 -1.067 1 1 285 . 4 1 1 A 31 31 HIS CA C 31 53.200 54.191 -0.991 1 1 286 . 4 1 1 A 31 31 HIS CB C 31 31.100 31.506 -0.406 1 1 287 . 4 1 1 A 31 31 HIS N N 31 114.600 116.853 -2.253 1 1 288 . 4 1 1 A 32 32 ALA H H 32 8.930 8.441 0.489 1 1 289 . 4 1 1 A 32 32 ALA HA H 32 5.050 4.713 0.337 1 1 293 . 4 1 1 A 32 32 ALA C C 32 179.000 177.818 1.182 1 1 294 . 4 1 1 A 32 32 ALA CA C 32 53.700 52.637 1.063 1 1 295 . 4 1 1 A 32 32 ALA CB C 32 20.700 19.715 0.985 1 1 296 . 4 1 1 A 32 32 ALA N N 32 120.200 122.554 -2.354 1 1 297 . 4 1 1 A 33 33 ILE H H 33 8.280 8.674 -0.394 1 1 298 . 4 1 1 A 33 33 ILE HA H 33 5.520 5.150 0.370 1 1 308 . 4 1 1 A 33 33 ILE C C 33 173.400 174.549 -1.149 1 1 309 . 4 1 1 A 33 33 ILE CA C 33 59.500 59.446 0.054 1 1 310 . 4 1 1 A 33 33 ILE CB C 33 44.500 42.398 2.102 1 1 313 . 4 1 1 A 33 33 ILE N N 33 115.800 116.737 -0.937 1 1 314 . 4 1 1 A 34 34 ALA H H 34 8.900 9.225 -0.325 1 1 315 . 4 1 1 A 34 34 ALA HA H 34 5.290 5.579 -0.289 1 1 319 . 4 1 1 A 34 34 ALA C C 34 176.100 175.929 0.171 1 1 320 . 4 1 1 A 34 34 ALA CA C 34 51.100 50.693 0.407 1 1 321 . 4 1 1 A 34 34 ALA CB C 34 21.900 21.861 0.039 1 1 322 . 4 1 1 A 34 34 ALA N N 34 121.600 125.475 -3.875 1 1 323 . 4 1 1 A 35 35 PHE H H 35 8.580 8.361 0.219 1 1 324 . 4 1 1 A 35 35 PHE HA H 35 4.740 5.286 -0.546 1 1 330 . 4 1 1 A 35 35 PHE C C 35 170.000 172.455 -2.455 1 1 331 . 4 1 1 A 35 35 PHE CA C 35 57.100 55.813 1.287 1 1 332 . 4 1 1 A 35 35 PHE CB C 35 39.700 41.168 -1.468 1 1 336 . 4 1 1 A 35 35 PHE N N 35 116.600 117.794 -1.194 1 1 337 . 4 1 1 A 36 36 ALA H H 36 8.730 8.203 0.527 1 1 338 . 4 1 1 A 36 36 ALA HA H 36 5.170 5.202 -0.032 1 1 342 . 4 1 1 A 36 36 ALA CA C 36 49.100 48.946 0.154 1 1 343 . 4 1 1 A 36 36 ALA CB C 36 20.500 21.206 -0.706 1 1 344 . 4 1 1 A 36 36 ALA N N 36 123.400 122.871 0.529 1 1 345 . 4 1 1 A 37 37 PRO HA H 37 4.740 4.478 0.262 1 1 350 . 4 1 1 A 37 37 PRO C C 37 176.500 177.803 -1.303 1 1 351 . 4 1 1 A 37 37 PRO CA C 37 66.200 65.885 0.315 1 1 352 . 4 1 1 A 37 37 PRO CB C 37 33.600 31.629 1.971 1 1 354 . 4 1 1 A 38 38 GLU H H 38 7.450 8.651 -1.201 1 1 355 . 4 1 1 A 38 38 GLU HA H 38 4.790 4.515 0.275 1 1 360 . 4 1 1 A 38 38 GLU C C 38 177.300 176.020 1.280 1 1 361 . 4 1 1 A 38 38 GLU CA C 38 54.200 56.421 -2.221 1 1 362 . 4 1 1 A 38 38 GLU CB C 38 32.600 29.960 2.640 1 1 364 . 4 1 1 A 38 38 GLU N N 38 110.100 116.243 -6.143 1 1 365 . 4 1 1 A 39 39 GLY H H 39 8.600 7.815 0.785 1 1 366 . 4 1 1 A 39 39 GLY HA2 H 39 3.920 4.198 -0.278 1 1 367 . 4 1 1 A 39 39 GLY HA3 H 39 4.440 4.212 0.228 1 1 368 . 4 1 1 A 39 39 GLY CA C 39 44.400 44.474 -0.074 1 1 369 . 4 1 1 A 39 39 GLY N N 39 109.500 108.708 0.792 1 1 370 . 4 1 1 A 40 40 PRO HA H 40 4.550 4.639 -0.089 1 1 375 . 4 1 1 A 40 40 PRO C C 40 177.100 175.386 1.714 1 1 376 . 4 1 1 A 40 40 PRO CA C 40 62.500 62.466 0.034 1 1 377 . 4 1 1 A 40 40 PRO CB C 40 32.700 32.905 -0.205 1 1 378 . 4 1 1 A 41 41 VAL H H 41 8.530 8.467 0.063 1 1 379 . 4 1 1 A 41 41 VAL HA H 41 3.900 4.481 -0.581 1 1 387 . 4 1 1 A 41 41 VAL C C 41 175.200 174.937 0.263 1 1 388 . 4 1 1 A 41 41 VAL CA C 41 63.000 61.334 1.666 1 1 389 . 4 1 1 A 41 41 VAL CB C 41 31.100 32.855 -1.755 1 1 392 . 4 1 1 A 41 41 VAL N N 41 123.000 119.105 3.895 1 1 393 . 4 1 1 A 42 42 ALA H H 42 8.320 9.359 -1.039 1 1 394 . 4 1 1 A 42 42 ALA HA H 42 4.750 5.346 -0.596 1 1 398 . 4 1 1 A 42 42 ALA C C 42 177.400 176.549 0.851 1 1 399 . 4 1 1 A 42 42 ALA CA C 42 50.800 50.145 0.655 1 1 400 . 4 1 1 A 42 42 ALA CB C 42 21.400 20.873 0.527 1 1 401 . 4 1 1 A 42 42 ALA N N 42 131.300 131.080 0.220 1 1 402 . 4 1 1 A 43 43 SER H H 43 8.660 8.763 -0.103 1 1 403 . 4 1 1 A 43 43 SER HA H 43 4.690 4.771 -0.081 1 1 406 . 4 1 1 A 43 43 SER CA C 43 59.000 59.428 -0.428 1 1 407 . 4 1 1 A 43 43 SER CB C 43 62.800 63.606 -0.806 1 1 408 . 4 1 1 A 43 43 SER N N 43 115.400 119.770 -4.370 1 1 409 . 4 1 1 A 44 44 TRP HA H 44 5.470 5.006 0.464 1 1 418 . 4 1 1 A 44 44 TRP CA C 44 52.200 55.480 -3.280 1 1 419 . 4 1 1 A 44 44 TRP CB C 44 31.000 31.111 -0.111 1 1 426 . 4 1 1 A 45 45 PRO HA H 45 4.550 4.482 0.068 1 1 431 . 4 1 1 A 45 45 PRO C C 45 173.000 176.093 -3.093 1 1 432 . 4 1 1 A 45 45 PRO CA C 45 63.300 63.518 -0.218 1 1 433 . 4 1 1 A 45 45 PRO CB C 45 27.800 32.218 -4.418 1 1 435 . 4 1 1 A 46 46 VAL H H 46 8.390 7.251 1.139 1 1 436 . 4 1 1 A 46 46 VAL HA H 46 3.770 3.831 -0.061 1 1 444 . 4 1 1 A 46 46 VAL C C 46 174.100 175.417 -1.317 1 1 445 . 4 1 1 A 46 46 VAL CA C 46 61.100 61.579 -0.479 1 1 446 . 4 1 1 A 46 46 VAL CB C 46 35.200 31.802 3.398 1 1 449 . 4 1 1 A 46 46 VAL N N 46 124.300 120.262 4.038 1 1 450 . 4 1 1 A 47 47 GLN H H 47 8.970 8.816 0.154 1 1 451 . 4 1 1 A 47 47 GLN HA H 47 4.430 4.650 -0.220 1 1 456 . 4 1 1 A 47 47 GLN C C 47 175.100 175.518 -0.418 1 1 457 . 4 1 1 A 47 47 GLN CA C 47 56.400 56.563 -0.163 1 1 458 . 4 1 1 A 47 47 GLN CB C 47 30.900 31.277 -0.377 1 1 459 . 4 1 1 A 47 47 GLN N N 47 122.000 125.372 -3.372 1 1 460 . 4 1 1 A 48 48 ARG H H 48 7.720 7.512 0.208 1 1 461 . 4 1 1 A 48 48 ARG HA H 48 4.750 4.588 0.162 1 1 468 . 4 1 1 A 48 48 ARG CA C 48 52.800 52.999 -0.199 1 1 469 . 4 1 1 A 48 48 ARG CB C 48 30.500 30.506 -0.006 1 1 471 . 4 1 1 A 48 48 ARG N N 48 116.600 118.176 -1.576 1 1 472 . 4 1 1 A 49 49 PRO HA H 49 3.750 4.538 -0.788 1 1 477 . 4 1 1 A 49 49 PRO C C 49 177.500 177.307 0.193 1 1 478 . 4 1 1 A 49 49 PRO CA C 49 65.400 64.387 1.013 1 1 479 . 4 1 1 A 49 49 PRO CB C 49 30.700 31.909 -1.209 1 1 481 . 4 1 1 A 50 50 ALA H H 50 7.960 8.262 -0.302 1 1 482 . 4 1 1 A 50 50 ALA HA H 50 4.010 4.500 -0.490 1 1 486 . 4 1 1 A 50 50 ALA C C 50 177.300 177.697 -0.397 1 1 487 . 4 1 1 A 50 50 ALA CA C 50 53.800 53.016 0.784 1 1 488 . 4 1 1 A 50 50 ALA CB C 50 18.500 18.958 -0.458 1 1 489 . 4 1 1 A 50 50 ALA N N 50 117.200 120.433 -3.233 1 1 490 . 4 1 1 A 51 51 ASP H H 51 7.570 8.123 -0.553 1 1 491 . 4 1 1 A 51 51 ASP HA H 51 4.410 4.670 -0.260 1 1 494 . 4 1 1 A 51 51 ASP C C 51 176.000 176.038 -0.038 1 1 495 . 4 1 1 A 51 51 ASP CA C 51 54.200 53.789 0.411 1 1 496 . 4 1 1 A 51 51 ASP CB C 51 41.900 41.931 -0.031 1 1 497 . 4 1 1 A 51 51 ASP N N 51 114.800 117.098 -2.298 1 1 498 . 4 1 1 A 52 52 ILE H H 52 7.290 7.337 -0.047 1 1 499 . 4 1 1 A 52 52 ILE HA H 52 3.100 3.911 -0.811 1 1 509 . 4 1 1 A 52 52 ILE C C 52 174.800 175.558 -0.758 1 1 510 . 4 1 1 A 52 52 ILE CA C 52 65.100 61.951 3.149 1 1 511 . 4 1 1 A 52 52 ILE CB C 52 37.100 37.513 -0.413 1 1 515 . 4 1 1 A 52 52 ILE N N 52 117.700 121.488 -3.788 1 1 516 . 4 1 1 A 53 53 THR H H 53 6.560 8.567 -2.007 1 1 517 . 4 1 1 A 53 53 THR HA H 53 4.720 4.771 -0.051 1 1 522 . 4 1 1 A 53 53 THR C C 53 174.600 175.081 -0.481 1 1 523 . 4 1 1 A 53 53 THR CA C 53 58.500 60.900 -2.400 1 1 524 . 4 1 1 A 53 53 THR CB C 53 72.900 72.424 0.476 1 1 526 . 4 1 1 A 53 53 THR N N 53 117.300 121.994 -4.694 1 1 527 . 4 1 1 A 54 54 ALA H H 54 9.340 9.144 0.196 1 1 528 . 4 1 1 A 54 54 ALA HA H 54 4.460 4.062 0.398 1 1 532 . 4 1 1 A 54 54 ALA C C 54 167.400 179.789 -12.389 1 1 533 . 4 1 1 A 54 54 ALA CA C 54 55.800 55.861 -0.061 1 1 534 . 4 1 1 A 54 54 ALA CB C 54 18.200 18.168 0.032 1 1 535 . 4 1 1 A 54 54 ALA N N 54 123.800 126.353 -2.553 1 1 536 . 4 1 1 A 55 55 SER H H 55 8.530 8.164 0.366 1 1 537 . 4 1 1 A 55 55 SER HA H 55 4.280 4.293 -0.013 1 1 541 . 4 1 1 A 55 55 SER C C 55 177.700 176.581 1.119 1 1 542 . 4 1 1 A 55 55 SER CA C 55 61.600 61.981 -0.381 1 1 543 . 4 1 1 A 55 55 SER CB C 55 62.600 62.838 -0.238 1 1 544 . 4 1 1 A 55 55 SER N N 55 112.600 113.625 -1.025 1 1 545 . 4 1 1 A 56 56 LEU H H 56 7.810 8.017 -0.207 1 1 546 . 4 1 1 A 56 56 LEU HA H 56 4.280 4.162 0.118 1 1 556 . 4 1 1 A 56 56 LEU C C 56 168.100 180.329 -12.229 1 1 557 . 4 1 1 A 56 56 LEU CA C 56 57.900 57.912 -0.012 1 1 558 . 4 1 1 A 56 56 LEU CB C 56 42.100 41.263 0.837 1 1 562 . 4 1 1 A 56 56 LEU N N 56 122.500 121.047 1.453 1 1 563 . 4 1 1 A 57 57 LEU H H 57 8.490 8.016 0.474 1 1 564 . 4 1 1 A 57 57 LEU HA H 57 4.180 4.092 0.088 1 1 574 . 4 1 1 A 57 57 LEU C C 57 178.000 179.139 -1.139 1 1 575 . 4 1 1 A 57 57 LEU CA C 57 58.300 57.872 0.428 1 1 576 . 4 1 1 A 57 57 LEU CB C 57 41.200 41.238 -0.038 1 1 580 . 4 1 1 A 57 57 LEU N N 57 123.900 120.050 3.850 1 1 581 . 4 1 1 A 58 58 GLN H H 58 8.500 8.583 -0.083 1 1 582 . 4 1 1 A 58 58 GLN HA H 58 3.680 3.995 -0.315 1 1 589 . 4 1 1 A 58 58 GLN C C 58 178.200 179.026 -0.826 1 1 590 . 4 1 1 A 58 58 GLN CA C 58 60.200 59.292 0.908 1 1 591 . 4 1 1 A 58 58 GLN CB C 58 28.500 28.355 0.145 1 1 593 . 4 1 1 A 58 58 GLN N N 58 118.800 119.042 -0.242 1 1 595 . 4 1 1 A 59 59 GLN H H 59 8.300 7.962 0.338 1 1 596 . 4 1 1 A 59 59 GLN HA H 59 4.090 4.058 0.032 1 1 601 . 4 1 1 A 59 59 GLN C C 59 179.900 178.766 1.134 1 1 602 . 4 1 1 A 59 59 GLN CA C 59 58.900 58.766 0.134 1 1 603 . 4 1 1 A 59 59 GLN CB C 59 28.800 28.500 0.300 1 1 605 . 4 1 1 A 59 59 GLN N N 59 118.600 118.904 -0.304 1 1 606 . 4 1 1 A 60 60 ALA H H 60 7.850 7.933 -0.083 1 1 607 . 4 1 1 A 60 60 ALA HA H 60 3.580 4.010 -0.430 1 1 611 . 4 1 1 A 60 60 ALA C C 60 176.700 179.413 -2.713 1 1 612 . 4 1 1 A 60 60 ALA CA C 60 54.700 54.440 0.260 1 1 613 . 4 1 1 A 60 60 ALA CB C 60 17.400 17.560 -0.160 1 1 614 . 4 1 1 A 60 60 ALA N N 60 122.500 121.913 0.587 1 1 615 . 4 1 1 A 61 61 ALA H H 61 7.540 7.482 0.058 1 1 616 . 4 1 1 A 61 61 ALA HA H 61 3.970 4.289 -0.319 1 1 620 . 4 1 1 A 61 61 ALA C C 61 176.300 177.650 -1.350 1 1 621 . 4 1 1 A 61 61 ALA CA C 61 52.400 51.919 0.481 1 1 622 . 4 1 1 A 61 61 ALA CB C 61 19.100 19.364 -0.264 1 1 623 . 4 1 1 A 61 61 ALA N N 61 113.700 117.745 -4.045 1 1 624 . 4 1 1 A 62 62 GLY H H 62 7.600 7.770 -0.170 1 1 625 . 4 1 1 A 62 62 GLY HA2 H 62 3.890 3.931 -0.041 1 1 626 . 4 1 1 A 62 62 GLY HA3 H 62 3.980 3.939 0.041 1 1 627 . 4 1 1 A 62 62 GLY C C 62 175.400 175.256 0.144 1 1 628 . 4 1 1 A 62 62 GLY CA C 62 45.800 45.982 -0.182 1 1 629 . 4 1 1 A 62 62 GLY N N 62 104.800 106.232 -1.432 1 1 630 . 4 1 1 A 63 63 LEU H H 63 7.770 7.843 -0.073 1 1 631 . 4 1 1 A 63 63 LEU HA H 63 4.430 4.309 0.121 1 1 640 . 4 1 1 A 63 63 LEU C C 63 176.400 177.124 -0.724 1 1 641 . 4 1 1 A 63 63 LEU CA C 63 54.000 55.454 -1.454 1 1 642 . 4 1 1 A 63 63 LEU CB C 63 42.500 42.034 0.466 1 1 645 . 4 1 1 A 63 63 LEU N N 63 119.100 118.219 0.881 1 1 646 . 4 1 1 A 64 64 ALA H H 64 8.060 7.514 0.546 1 1 647 . 4 1 1 A 64 64 ALA HA H 64 4.160 4.486 -0.326 1 1 651 . 4 1 1 A 64 64 ALA C C 64 177.300 177.013 0.287 1 1 652 . 4 1 1 A 64 64 ALA CA C 64 52.700 51.108 1.592 1 1 653 . 4 1 1 A 64 64 ALA CB C 64 19.700 20.822 -1.122 1 1 654 . 4 1 1 A 64 64 ALA N N 64 122.900 121.904 0.996 1 1 655 . 4 1 1 A 65 65 GLU H H 65 8.260 8.489 -0.229 1 1 656 . 4 1 1 A 65 65 GLU C C 65 176.300 176.034 0.266 1 1 657 . 4 1 1 A 65 65 GLU CA C 65 56.400 56.409 -0.009 1 1 658 . 4 1 1 A 65 65 GLU CB C 65 30.100 30.162 -0.062 1 1 659 . 4 1 1 A 65 65 GLU N N 65 118.900 118.122 0.778 1 1 660 . 4 1 1 A 66 66 VAL H H 66 7.960 8.432 -0.472 1 1 661 . 4 1 1 A 66 66 VAL HA H 66 4.020 4.000 0.020 1 1 663 . 4 1 1 A 66 66 VAL C C 66 175.900 176.148 -0.248 1 1 664 . 4 1 1 A 66 66 VAL CA C 66 62.300 63.275 -0.975 1 1 665 . 4 1 1 A 66 66 VAL CB C 66 32.800 32.084 0.716 1 1 666 . 4 1 1 A 66 66 VAL N N 66 121.500 125.949 -4.449 1 1 667 . 4 1 1 A 67 67 VAL H H 67 8.210 8.657 -0.447 1 1 668 . 4 1 1 A 67 67 VAL C C 67 175.800 174.770 1.030 1 1 669 . 4 1 1 A 67 67 VAL CA C 67 62.200 61.693 0.507 1 1 670 . 4 1 1 A 67 67 VAL CB C 67 32.600 30.857 1.743 1 1 671 . 4 1 1 A 67 67 VAL N N 67 124.900 125.986 -1.086 1 1 672 . 4 1 1 A 68 68 ARG H H 68 8.380 8.848 -0.468 1 1 673 . 4 1 1 A 68 68 ARG HA H 68 4.270 4.548 -0.278 1 1 674 . 4 1 1 A 68 68 ARG C C 68 175.400 175.870 -0.470 1 1 675 . 4 1 1 A 68 68 ARG CA C 68 55.700 56.758 -1.058 1 1 676 . 4 1 1 A 68 68 ARG CB C 68 31.100 31.890 -0.790 1 1 677 . 4 1 1 A 68 68 ARG N N 68 125.900 124.992 0.908 1 1 678 . 4 1 1 A 69 69 ASP H H 69 8.390 7.773 0.617 1 1 679 . 4 1 1 A 69 69 ASP HA H 69 4.800 4.865 -0.065 1 1 682 . 4 1 1 A 69 69 ASP CA C 69 51.700 52.152 -0.452 1 1 683 . 4 1 1 A 69 69 ASP CB C 69 41.700 42.136 -0.436 1 1 684 . 4 1 1 A 69 69 ASP N N 69 123.600 115.201 8.399 1 1 685 . 4 1 1 A 70 70 PRO HA H 70 4.290 4.404 -0.114 1 1 688 . 4 1 1 A 70 70 PRO C C 70 177.500 176.704 0.796 1 1 689 . 4 1 1 A 70 70 PRO CA C 70 64.100 62.586 1.514 1 1 690 . 4 1 1 A 70 70 PRO CB C 70 32.300 31.132 1.168 1 1 691 . 4 1 1 A 71 71 LEU H H 71 8.280 8.055 0.225 1 1 692 . 4 1 1 A 71 71 LEU HA H 71 4.260 4.019 0.241 1 1 698 . 4 1 1 A 71 71 LEU C C 71 177.600 177.094 0.506 1 1 699 . 4 1 1 A 71 71 LEU CA C 71 55.100 56.070 -0.970 1 1 700 . 4 1 1 A 71 71 LEU CB C 71 41.200 42.524 -1.324 1 1 702 . 4 1 1 A 71 71 LEU N N 71 118.400 120.775 -2.375 1 1 703 . 4 1 1 A 72 72 ALA H H 72 7.660 7.358 0.302 1 1 704 . 4 1 1 A 72 72 ALA HA H 72 4.170 4.354 -0.184 1 1 708 . 4 1 1 A 72 72 ALA C C 72 177.400 175.940 1.460 1 1 709 . 4 1 1 A 72 72 ALA CA C 72 52.600 50.666 1.934 1 1 710 . 4 1 1 A 72 72 ALA CB C 72 19.200 19.206 -0.006 1 1 711 . 4 1 1 A 72 72 ALA N N 72 122.900 121.324 1.576 1 1 712 . 4 1 1 A 73 73 PHE H H 73 7.940 8.772 -0.832 1 1 713 . 4 1 1 A 73 73 PHE HA H 73 4.510 4.648 -0.138 1 1 717 . 4 1 1 A 73 73 PHE C C 73 175.600 176.039 -0.439 1 1 718 . 4 1 1 A 73 73 PHE CA C 73 57.800 58.152 -0.352 1 1 719 . 4 1 1 A 73 73 PHE CB C 73 39.100 40.096 -0.996 1 1 720 . 4 1 1 A 73 73 PHE N N 73 118.200 122.545 -4.345 1 1 721 . 4 1 1 A 74 74 LEU H H 74 7.890 8.874 -0.984 1 1 722 . 4 1 1 A 74 74 LEU CA C 74 55.200 55.853 -0.653 1 1 723 . 4 1 1 A 74 74 LEU CB C 74 42.400 41.097 1.303 1 1 724 . 4 1 1 A 74 74 LEU N N 74 122.600 124.352 -1.752 1 1 725 . 4 1 1 A 78 78 GLU C C 78 176.600 176.469 0.131 1 1 726 . 4 1 1 A 78 78 GLU CA C 78 57.500 56.052 1.448 1 1 727 . 4 1 1 A 78 78 GLU CB C 78 30.100 30.939 -0.839 1 1 728 . 4 1 1 A 79 79 ALA H H 79 8.460 8.531 -0.071 1 1 729 . 4 1 1 A 79 79 ALA C C 79 178.300 178.408 -0.108 1 1 730 . 4 1 1 A 79 79 ALA CA C 79 52.900 51.389 1.511 1 1 731 . 4 1 1 A 79 79 ALA CB C 79 19.200 19.938 -0.738 1 1 732 . 4 1 1 A 79 79 ALA N N 79 124.700 126.497 -1.797 1 1 733 . 4 1 1 A 80 80 GLY H H 80 8.330 8.646 -0.316 1 1 734 . 4 1 1 A 80 80 GLY C C 80 174.100 174.781 -0.681 1 1 735 . 4 1 1 A 80 80 GLY CA C 80 45.100 47.297 -2.197 1 1 736 . 4 1 1 A 80 80 GLY N N 80 108.200 106.269 1.931 1 1 737 . 4 1 1 A 81 81 ALA H H 81 8.140 8.328 -0.188 1 1 738 . 4 1 1 A 81 81 ALA HA H 81 4.170 4.498 -0.328 1 1 739 . 4 1 1 A 81 81 ALA C C 81 178.400 179.262 -0.862 1 1 740 . 4 1 1 A 81 81 ALA CA C 81 52.800 53.635 -0.835 1 1 741 . 4 1 1 A 81 81 ALA CB C 81 19.200 20.005 -0.805 1 1 742 . 4 1 1 A 81 81 ALA N N 81 123.600 122.968 0.632 1 1 743 . 4 1 1 A 82 82 GLY H H 82 8.400 8.228 0.172 1 1 744 . 4 1 1 A 82 82 GLY HA2 H 82 3.860 3.864 -0.004 1 1 745 . 4 1 1 A 82 82 GLY HA3 H 82 2.880 3.865 -0.985 1 1 746 . 4 1 1 A 82 82 GLY C C 82 173.600 174.740 -1.140 1 1 747 . 4 1 1 A 82 82 GLY CA C 82 45.200 46.769 -1.569 1 1 748 . 4 1 1 A 82 82 GLY N N 82 108.000 106.840 1.160 1 1 749 . 4 1 1 A 83 83 ALA H H 83 7.980 8.491 -0.511 1 1 750 . 4 1 1 A 83 83 ALA HA H 83 4.280 3.990 0.290 1 1 754 . 4 1 1 A 83 83 ALA C C 83 177.200 176.172 1.028 1 1 755 . 4 1 1 A 83 83 ALA CA C 83 52.100 54.327 -2.227 1 1 756 . 4 1 1 A 83 83 ALA CB C 83 19.500 17.544 1.956 1 1 757 . 4 1 1 A 83 83 ALA N N 83 123.300 119.644 3.656 1 1 758 . 4 1 1 A 84 84 ARG H H 84 8.240 7.726 0.514 1 1 759 . 4 1 1 A 84 84 ARG HA H 84 4.610 4.757 -0.147 1 1 762 . 4 1 1 A 84 84 ARG CA C 84 54.000 52.617 1.383 1 1 763 . 4 1 1 A 84 84 ARG CB C 84 30.500 31.804 -1.304 1 1 764 . 4 1 1 A 84 84 ARG N N 84 121.700 118.303 3.397 1 1 765 . 4 1 1 A 85 85 PRO HA H 85 4.390 4.523 -0.133 1 1 770 . 4 1 1 A 85 85 PRO C C 85 177.000 176.618 0.382 1 1 771 . 4 1 1 A 85 85 PRO CA C 85 62.900 64.182 -1.282 1 1 772 . 4 1 1 A 85 85 PRO CB C 85 32.200 31.799 0.401 1 1 773 . 4 1 1 A 86 86 ALA H H 86 8.600 8.204 0.396 1 1 774 . 4 1 1 A 86 86 ALA HA H 86 4.150 4.573 -0.423 1 1 778 . 4 1 1 A 86 86 ALA C C 86 177.800 175.810 1.990 1 1 779 . 4 1 1 A 86 86 ALA CA C 86 53.400 50.698 2.702 1 1 780 . 4 1 1 A 86 86 ALA CB C 86 18.900 19.015 -0.115 1 1 781 . 4 1 1 A 86 86 ALA N N 86 124.900 121.035 3.865 1 1 782 . 4 1 1 A 87 87 ASN H H 87 8.380 8.738 -0.358 1 1 783 . 4 1 1 A 87 87 ASN HA H 87 4.590 5.064 -0.474 1 1 786 . 4 1 1 A 87 87 ASN C C 87 174.400 174.455 -0.055 1 1 787 . 4 1 1 A 87 87 ASN CA C 87 52.600 52.061 0.539 1 1 788 . 4 1 1 A 87 87 ASN CB C 87 38.300 38.443 -0.143 1 1 789 . 4 1 1 A 87 87 ASN N N 87 114.900 120.839 -5.939 1 1 790 . 4 1 1 A 88 88 ALA H H 88 7.800 8.214 -0.414 1 1 791 . 4 1 1 A 88 88 ALA HA H 88 4.400 4.692 -0.292 1 1 795 . 4 1 1 A 88 88 ALA CA C 88 50.400 50.658 -0.258 1 1 796 . 4 1 1 A 88 88 ALA CB C 88 17.900 18.889 -0.989 1 1 797 . 4 1 1 A 88 88 ALA N N 88 123.600 124.754 -1.154 1 1 798 . 4 1 1 A 89 89 PRO HA H 89 4.390 4.472 -0.082 1 1 805 . 4 1 1 A 89 89 PRO C C 89 175.000 177.657 -2.657 1 1 806 . 4 1 1 A 89 89 PRO CA C 89 62.400 63.262 -0.862 1 1 807 . 4 1 1 A 89 89 PRO CB C 89 31.700 32.430 -0.730 1 1 810 . 4 1 1 A 90 90 GLU H H 90 9.000 8.714 0.286 1 1 811 . 4 1 1 A 90 90 GLU HA H 90 4.310 4.170 0.140 1 1 814 . 4 1 1 A 90 90 GLU C C 90 177.300 176.285 1.015 1 1 815 . 4 1 1 A 90 90 GLU CA C 90 58.000 59.200 -1.200 1 1 816 . 4 1 1 A 90 90 GLU CB C 90 31.400 31.436 -0.036 1 1 817 . 4 1 1 A 90 90 GLU N N 90 117.700 120.887 -3.187 1 1 818 . 4 1 1 A 91 91 VAL H H 91 7.310 7.399 -0.089 1 1 819 . 4 1 1 A 91 91 VAL HA H 91 4.570 4.665 -0.095 1 1 827 . 4 1 1 A 91 91 VAL C C 91 171.000 173.219 -2.219 1 1 828 . 4 1 1 A 91 91 VAL CA C 91 59.700 59.878 -0.178 1 1 829 . 4 1 1 A 91 91 VAL CB C 91 35.600 35.588 0.012 1 1 832 . 4 1 1 A 91 91 VAL N N 91 115.900 116.472 -0.572 1 1 833 . 4 1 1 A 92 92 LEU H H 92 8.700 9.450 -0.750 1 1 834 . 4 1 1 A 92 92 LEU HA H 92 4.950 5.229 -0.279 1 1 844 . 4 1 1 A 92 92 LEU C C 92 174.300 174.370 -0.070 1 1 845 . 4 1 1 A 92 92 LEU CA C 92 52.700 53.346 -0.646 1 1 846 . 4 1 1 A 92 92 LEU CB C 92 44.100 45.462 -1.362 1 1 850 . 4 1 1 A 92 92 LEU N N 92 128.500 129.403 -0.903 1 1 851 . 4 1 1 A 93 93 LEU H H 93 8.770 9.541 -0.771 1 1 852 . 4 1 1 A 93 93 LEU HA H 93 4.910 5.080 -0.170 1 1 862 . 4 1 1 A 93 93 LEU C C 93 174.900 175.439 -0.539 1 1 863 . 4 1 1 A 93 93 LEU CA C 93 52.600 53.236 -0.636 1 1 864 . 4 1 1 A 93 93 LEU CB C 93 44.300 42.397 1.903 1 1 868 . 4 1 1 A 93 93 LEU N N 93 127.300 128.246 -0.946 1 1 869 . 4 1 1 A 94 94 VAL H H 94 8.800 9.267 -0.467 1 1 870 . 4 1 1 A 94 94 VAL HA H 94 4.880 4.685 0.195 1 1 878 . 4 1 1 A 94 94 VAL C C 94 175.000 175.220 -0.220 1 1 879 . 4 1 1 A 94 94 VAL CA C 94 60.000 60.810 -0.810 1 1 880 . 4 1 1 A 94 94 VAL CB C 94 33.900 32.950 0.950 1 1 883 . 4 1 1 A 94 94 VAL N N 94 122.000 126.215 -4.215 1 1 884 . 4 1 1 A 95 95 GLY H H 95 9.730 9.365 0.365 1 1 885 . 4 1 1 A 95 95 GLY HA2 H 95 3.240 4.075 -0.835 1 1 886 . 4 1 1 A 95 95 GLY HA3 H 95 4.940 4.105 0.835 1 1 887 . 4 1 1 A 95 95 GLY C C 95 175.000 175.501 -0.501 1 1 888 . 4 1 1 A 95 95 GLY CA C 95 45.500 45.230 0.270 1 1 889 . 4 1 1 A 95 95 GLY N N 95 114.000 116.189 -2.189 1 1 890 . 4 1 1 A 96 96 THR H H 96 9.320 8.568 0.752 1 1 891 . 4 1 1 A 96 96 THR HA H 96 4.210 4.358 -0.148 1 1 896 . 4 1 1 A 96 96 THR C C 96 173.000 176.091 -3.091 1 1 897 . 4 1 1 A 96 96 THR CA C 96 61.800 63.328 -1.528 1 1 898 . 4 1 1 A 96 96 THR CB C 96 67.600 70.172 -2.572 1 1 900 . 4 1 1 A 96 96 THR N N 96 113.800 117.138 -3.338 1 1 901 . 4 1 1 A 97 97 GLY H H 97 8.600 7.789 0.811 1 1 902 . 4 1 1 A 97 97 GLY HA2 H 97 3.580 4.049 -0.469 1 1 903 . 4 1 1 A 97 97 GLY HA3 H 97 4.500 4.051 0.449 1 1 904 . 4 1 1 A 97 97 GLY C C 97 174.800 175.689 -0.889 1 1 905 . 4 1 1 A 97 97 GLY CA C 97 44.000 46.023 -2.023 1 1 906 . 4 1 1 A 97 97 GLY N N 97 110.900 110.691 0.209 1 1 907 . 4 1 1 A 98 98 ARG H H 98 9.400 8.815 0.585 1 1 908 . 4 1 1 A 98 98 ARG HA H 98 4.110 4.251 -0.141 1 1 911 . 4 1 1 A 98 98 ARG C C 98 175.700 176.085 -0.385 1 1 912 . 4 1 1 A 98 98 ARG CA C 98 58.800 58.717 0.083 1 1 913 . 4 1 1 A 98 98 ARG CB C 98 30.700 30.608 0.092 1 1 914 . 4 1 1 A 98 98 ARG N N 98 125.500 120.200 5.300 1 1 915 . 4 1 1 A 99 99 ARG H H 99 8.180 7.850 0.330 1 1 916 . 4 1 1 A 99 99 ARG HA H 99 4.640 4.723 -0.083 1 1 919 . 4 1 1 A 99 99 ARG C C 99 175.000 174.625 0.375 1 1 920 . 4 1 1 A 99 99 ARG CA C 99 53.100 54.779 -1.679 1 1 921 . 4 1 1 A 99 99 ARG CB C 99 33.200 33.543 -0.343 1 1 922 . 4 1 1 A 99 99 ARG N N 99 114.300 117.420 -3.120 1 1 923 . 4 1 1 A 100 100 GLN H H 100 8.710 8.506 0.204 1 1 924 . 4 1 1 A 100 100 GLN HA H 100 3.620 4.894 -1.274 1 1 929 . 4 1 1 A 100 100 GLN C C 100 173.900 175.482 -1.582 1 1 930 . 4 1 1 A 100 100 GLN CA C 100 56.400 55.402 0.998 1 1 931 . 4 1 1 A 100 100 GLN CB C 100 29.600 29.135 0.465 1 1 933 . 4 1 1 A 100 100 GLN N N 100 121.700 123.562 -1.862 1 1 934 . 4 1 1 A 101 101 HIS H H 101 7.900 8.905 -1.005 1 1 935 . 4 1 1 A 101 101 HIS HA H 101 4.530 4.693 -0.163 1 1 939 . 4 1 1 A 101 101 HIS C C 101 173.100 174.064 -0.964 1 1 940 . 4 1 1 A 101 101 HIS CA C 101 55.100 55.122 -0.022 1 1 941 . 4 1 1 A 101 101 HIS CB C 101 32.100 29.933 2.167 1 1 942 . 4 1 1 A 101 101 HIS N N 101 130.600 127.619 2.981 1 1 943 . 4 1 1 A 102 102 LEU H H 102 8.080 8.451 -0.371 1 1 944 . 4 1 1 A 102 102 LEU HA H 102 4.060 4.362 -0.302 1 1 948 . 4 1 1 A 102 102 LEU C C 102 177.200 176.907 0.293 1 1 949 . 4 1 1 A 102 102 LEU CA C 102 54.900 54.879 0.021 1 1 950 . 4 1 1 A 102 102 LEU CB C 102 41.600 41.087 0.513 1 1 951 . 4 1 1 A 102 102 LEU N N 102 121.400 129.092 -7.692 1 1 952 . 4 1 1 A 103 103 LEU H H 103 8.260 8.622 -0.362 1 1 953 . 4 1 1 A 103 103 LEU HA H 103 4.490 4.435 0.055 1 1 963 . 4 1 1 A 103 103 LEU C C 103 177.100 177.140 -0.040 1 1 964 . 4 1 1 A 103 103 LEU CA C 103 53.400 55.173 -1.773 1 1 965 . 4 1 1 A 103 103 LEU CB C 103 42.600 42.215 0.385 1 1 969 . 4 1 1 A 103 103 LEU N N 103 123.000 126.158 -3.158 1 1 970 . 4 1 1 A 104 104 GLY H H 104 8.820 8.527 0.293 1 1 971 . 4 1 1 A 104 104 GLY HA2 H 104 3.930 4.265 -0.335 1 1 972 . 4 1 1 A 104 104 GLY HA3 H 104 4.440 4.275 0.165 1 1 973 . 4 1 1 A 104 104 GLY CA C 104 44.500 43.779 0.721 1 1 974 . 4 1 1 A 104 104 GLY N N 104 110.200 110.480 -0.280 1 1 975 . 4 1 1 A 105 105 PRO HA H 105 4.230 4.351 -0.121 1 1 978 . 4 1 1 A 105 105 PRO C C 105 178.900 177.383 1.517 1 1 979 . 4 1 1 A 105 105 PRO CA C 105 65.200 64.686 0.514 1 1 980 . 4 1 1 A 105 105 PRO CB C 105 31.900 31.923 -0.023 1 1 981 . 4 1 1 A 106 106 GLU H H 106 9.150 8.494 0.656 1 1 982 . 4 1 1 A 106 106 GLU HA H 106 4.080 4.269 -0.189 1 1 987 . 4 1 1 A 106 106 GLU C C 106 178.500 178.289 0.211 1 1 988 . 4 1 1 A 106 106 GLU CA C 106 58.600 57.579 1.021 1 1 989 . 4 1 1 A 106 106 GLU CB C 106 28.500 29.924 -1.424 1 1 991 . 4 1 1 A 106 106 GLU N N 106 115.400 117.146 -1.746 1 1 992 . 4 1 1 A 107 107 GLN H H 107 7.680 7.861 -0.181 1 1 993 . 4 1 1 A 107 107 GLN HA H 107 4.160 4.265 -0.105 1 1 998 . 4 1 1 A 107 107 GLN C C 107 175.200 177.566 -2.366 1 1 999 . 4 1 1 A 107 107 GLN CA C 107 58.500 57.800 0.700 1 1 1000 . 4 1 1 A 107 107 GLN CB C 107 29.400 29.582 -0.182 1 1 1002 . 4 1 1 A 107 107 GLN N N 107 116.100 118.529 -2.429 1 1 1003 . 4 1 1 A 108 108 VAL H H 108 7.080 7.640 -0.560 1 1 1004 . 4 1 1 A 108 108 VAL HA H 108 4.270 4.315 -0.045 1 1 1012 . 4 1 1 A 108 108 VAL C C 108 177.500 176.377 1.123 1 1 1013 . 4 1 1 A 108 108 VAL CA C 108 62.000 61.998 0.002 1 1 1014 . 4 1 1 A 108 108 VAL CB C 108 33.000 31.737 1.263 1 1 1017 . 4 1 1 A 108 108 VAL N N 108 104.800 119.675 -14.875 1 1 1018 . 4 1 1 A 109 109 ARG H H 109 8.220 7.900 0.320 1 1 1019 . 4 1 1 A 109 109 ARG HA H 109 4.060 4.123 -0.063 1 1 1024 . 4 1 1 A 109 109 ARG CA C 109 61.700 61.161 0.539 1 1 1025 . 4 1 1 A 109 109 ARG CB C 109 27.600 27.932 -0.332 1 1 1027 . 4 1 1 A 109 109 ARG N N 109 123.100 124.649 -1.549 1 1 1028 . 4 1 1 A 110 110 PRO HA H 110 4.290 4.409 -0.119 1 1 1035 . 4 1 1 A 110 110 PRO C C 110 173.000 179.168 -6.168 1 1 1036 . 4 1 1 A 110 110 PRO CA C 110 65.800 64.912 0.888 1 1 1037 . 4 1 1 A 110 110 PRO CB C 110 31.400 31.055 0.345 1 1 1040 . 4 1 1 A 111 111 LEU H H 111 7.080 7.531 -0.451 1 1 1041 . 4 1 1 A 111 111 LEU HA H 111 4.050 3.978 0.072 1 1 1051 . 4 1 1 A 111 111 LEU C C 111 178.800 179.338 -0.538 1 1 1052 . 4 1 1 A 111 111 LEU CA C 111 57.400 57.582 -0.182 1 1 1053 . 4 1 1 A 111 111 LEU CB C 111 40.100 41.778 -1.678 1 1 1056 . 4 1 1 A 111 111 LEU N N 111 117.700 117.379 0.321 1 1 1057 . 4 1 1 A 112 112 LEU H H 112 7.950 8.702 -0.752 1 1 1058 . 4 1 1 A 112 112 LEU HA H 112 4.050 3.970 0.080 1 1 1068 . 4 1 1 A 112 112 LEU C C 112 169.000 179.705 -10.705 1 1 1069 . 4 1 1 A 112 112 LEU CA C 112 58.000 57.832 0.168 1 1 1070 . 4 1 1 A 112 112 LEU CB C 112 41.100 40.325 0.775 1 1 1074 . 4 1 1 A 112 112 LEU N N 112 121.700 119.262 2.438 1 1 1075 . 4 1 1 A 113 113 ALA H H 113 8.230 7.932 0.298 1 1 1076 . 4 1 1 A 113 113 ALA HA H 113 4.110 4.088 0.022 1 1 1080 . 4 1 1 A 113 113 ALA C C 113 178.700 179.885 -1.185 1 1 1081 . 4 1 1 A 113 113 ALA CA C 113 54.400 55.044 -0.644 1 1 1082 . 4 1 1 A 113 113 ALA CB C 113 18.100 18.255 -0.155 1 1 1083 . 4 1 1 A 113 113 ALA N N 113 120.900 122.483 -1.583 1 1 1084 . 4 1 1 A 114 114 MET H H 114 7.270 7.447 -0.177 1 1 1085 . 4 1 1 A 114 114 MET HA H 114 4.490 4.480 0.010 1 1 1093 . 4 1 1 A 114 114 MET C C 114 175.100 176.287 -1.187 1 1 1094 . 4 1 1 A 114 114 MET CA C 114 55.100 55.951 -0.851 1 1 1095 . 4 1 1 A 114 114 MET CB C 114 33.700 32.918 0.782 1 1 1098 . 4 1 1 A 114 114 MET N N 114 115.100 115.520 -0.420 1 1 1099 . 4 1 1 A 115 115 GLY H H 115 7.830 7.734 0.096 1 1 1100 . 4 1 1 A 115 115 GLY HA2 H 115 3.660 4.040 -0.380 1 1 1101 . 4 1 1 A 115 115 GLY HA3 H 115 4.060 4.041 0.019 1 1 1102 . 4 1 1 A 115 115 GLY C C 115 173.700 174.611 -0.911 1 1 1103 . 4 1 1 A 115 115 GLY CA C 115 45.600 44.889 0.711 1 1 1104 . 4 1 1 A 115 115 GLY N N 115 106.300 105.806 0.494 1 1 1105 . 4 1 1 A 116 116 VAL H H 116 7.710 7.526 0.184 1 1 1106 . 4 1 1 A 116 116 VAL HA H 116 3.820 4.019 -0.199 1 1 1114 . 4 1 1 A 116 116 VAL C C 116 174.800 175.626 -0.826 1 1 1115 . 4 1 1 A 116 116 VAL CA C 116 61.200 62.859 -1.659 1 1 1116 . 4 1 1 A 116 116 VAL CB C 116 32.800 31.424 1.376 1 1 1119 . 4 1 1 A 116 116 VAL N N 116 123.600 122.220 1.380 1 1 1120 . 4 1 1 A 117 117 GLY H H 117 7.730 8.838 -1.108 1 1 1121 . 4 1 1 A 117 117 GLY HA2 H 117 3.570 3.940 -0.370 1 1 1122 . 4 1 1 A 117 117 GLY HA3 H 117 4.040 3.942 0.098 1 1 1123 . 4 1 1 A 117 117 GLY C C 117 172.600 172.941 -0.341 1 1 1124 . 4 1 1 A 117 117 GLY CA C 117 45.500 46.036 -0.536 1 1 1125 . 4 1 1 A 117 117 GLY N N 117 111.400 114.912 -3.512 1 1 1126 . 4 1 1 A 118 118 VAL H H 118 7.740 8.445 -0.705 1 1 1127 . 4 1 1 A 118 118 VAL HA H 118 5.100 4.820 0.280 1 1 1135 . 4 1 1 A 118 118 VAL C C 118 175.500 175.362 0.138 1 1 1136 . 4 1 1 A 118 118 VAL CA C 118 61.000 62.590 -1.590 1 1 1137 . 4 1 1 A 118 118 VAL CB C 118 34.300 31.917 2.383 1 1 1140 . 4 1 1 A 118 118 VAL N N 118 120.900 127.023 -6.123 1 1 1141 . 4 1 1 A 119 119 GLU H H 119 8.490 9.323 -0.833 1 1 1142 . 4 1 1 A 119 119 GLU HA H 119 4.630 4.840 -0.210 1 1 1147 . 4 1 1 A 119 119 GLU C C 119 173.500 175.270 -1.770 1 1 1148 . 4 1 1 A 119 119 GLU CA C 119 54.600 55.189 -0.589 1 1 1149 . 4 1 1 A 119 119 GLU CB C 119 32.300 30.783 1.517 1 1 1151 . 4 1 1 A 119 119 GLU N N 119 127.000 127.632 -0.632 1 1 1152 . 4 1 1 A 120 120 ALA H H 120 8.600 8.788 -0.188 1 1 1153 . 4 1 1 A 120 120 ALA HA H 120 5.530 4.844 0.686 1 1 1157 . 4 1 1 A 120 120 ALA C C 120 177.100 176.689 0.411 1 1 1158 . 4 1 1 A 120 120 ALA CA C 120 50.300 51.325 -1.025 1 1 1159 . 4 1 1 A 120 120 ALA CB C 120 20.800 19.827 0.973 1 1 1160 . 4 1 1 A 120 120 ALA N N 120 126.500 129.374 -2.874 1 1 1161 . 4 1 1 A 121 121 MET H H 121 9.430 9.156 0.274 1 1 1162 . 4 1 1 A 121 121 MET HA H 121 4.630 5.033 -0.403 1 1 1170 . 4 1 1 A 121 121 MET C C 121 173.300 175.153 -1.853 1 1 1171 . 4 1 1 A 121 121 MET CA C 121 54.600 54.011 0.589 1 1 1172 . 4 1 1 A 121 121 MET CB C 121 36.800 36.947 -0.147 1 1 1175 . 4 1 1 A 121 121 MET N N 121 120.400 121.823 -1.423 1 1 1176 . 4 1 1 A 122 122 ASP H H 122 8.460 8.765 -0.305 1 1 1177 . 4 1 1 A 122 122 ASP HA H 122 4.170 4.694 -0.524 1 1 1180 . 4 1 1 A 122 122 ASP C C 122 175.200 177.745 -2.545 1 1 1181 . 4 1 1 A 122 122 ASP CA C 122 55.000 54.687 0.313 1 1 1182 . 4 1 1 A 122 122 ASP CB C 122 41.000 41.806 -0.806 1 1 1183 . 4 1 1 A 122 122 ASP N N 122 116.700 120.511 -3.811 1 1 1184 . 4 1 1 A 123 123 THR H H 123 9.580 8.962 0.618 1 1 1185 . 4 1 1 A 123 123 THR HA H 123 3.670 3.825 -0.155 1 1 1191 . 4 1 1 A 123 123 THR C C 123 174.400 176.701 -2.301 1 1 1192 . 4 1 1 A 123 123 THR CA C 123 68.700 66.259 2.441 1 1 1193 . 4 1 1 A 123 123 THR CB C 123 68.800 68.440 0.360 1 1 1195 . 4 1 1 A 123 123 THR N N 123 119.600 117.501 2.099 1 1 1196 . 4 1 1 A 124 124 GLN H H 124 8.580 8.056 0.524 1 1 1197 . 4 1 1 A 124 124 GLN HA H 124 3.240 3.830 -0.590 1 1 1202 . 4 1 1 A 124 124 GLN C C 124 177.700 177.654 0.046 1 1 1203 . 4 1 1 A 124 124 GLN CA C 124 60.100 58.446 1.654 1 1 1204 . 4 1 1 A 124 124 GLN CB C 124 27.400 28.858 -1.458 1 1 1206 . 4 1 1 A 124 124 GLN N N 124 121.500 121.571 -0.071 1 1 1207 . 4 1 1 A 125 125 ALA H H 125 8.210 8.040 0.170 1 1 1208 . 4 1 1 A 125 125 ALA HA H 125 3.960 4.166 -0.206 1 1 1212 . 4 1 1 A 125 125 ALA C C 125 167.800 179.831 -12.031 1 1 1213 . 4 1 1 A 125 125 ALA CA C 125 54.800 54.976 -0.176 1 1 1214 . 4 1 1 A 125 125 ALA CB C 125 18.700 18.014 0.686 1 1 1215 . 4 1 1 A 125 125 ALA N N 125 122.600 121.209 1.391 1 1 1216 . 4 1 1 A 126 126 ALA H H 126 8.900 8.338 0.562 1 1 1217 . 4 1 1 A 126 126 ALA HA H 126 4.110 4.028 0.082 1 1 1221 . 4 1 1 A 126 126 ALA C C 126 178.500 179.265 -0.765 1 1 1222 . 4 1 1 A 126 126 ALA CA C 126 55.300 54.944 0.356 1 1 1223 . 4 1 1 A 126 126 ALA CB C 126 18.100 18.330 -0.230 1 1 1224 . 4 1 1 A 126 126 ALA N N 126 124.600 119.261 5.339 1 1 1225 . 4 1 1 A 127 127 ALA H H 127 8.440 8.022 0.418 1 1 1226 . 4 1 1 A 127 127 ALA HA H 127 3.850 3.932 -0.082 1 1 1230 . 4 1 1 A 127 127 ALA C C 127 178.400 180.345 -1.945 1 1 1231 . 4 1 1 A 127 127 ALA CA C 127 55.500 55.135 0.365 1 1 1232 . 4 1 1 A 127 127 ALA CB C 127 18.500 18.090 0.410 1 1 1233 . 4 1 1 A 127 127 ALA N N 127 120.200 120.249 -0.049 1 1 1234 . 4 1 1 A 128 128 ARG H H 128 7.790 7.923 -0.133 1 1 1235 . 4 1 1 A 128 128 ARG HA H 128 4.020 4.020 0.000 1 1 1240 . 4 1 1 A 128 128 ARG C C 128 179.400 178.799 0.601 1 1 1241 . 4 1 1 A 128 128 ARG CA C 128 59.600 59.647 -0.047 1 1 1242 . 4 1 1 A 128 128 ARG CB C 128 30.800 29.927 0.873 1 1 1244 . 4 1 1 A 128 128 ARG N N 128 115.900 118.250 -2.350 1 1 1245 . 4 1 1 A 129 129 THR H H 129 8.440 8.084 0.356 1 1 1246 . 4 1 1 A 129 129 THR HA H 129 3.770 3.937 -0.167 1 1 1251 . 4 1 1 A 129 129 THR C C 129 175.300 175.984 -0.684 1 1 1252 . 4 1 1 A 129 129 THR CA C 129 67.300 66.295 1.005 1 1 1253 . 4 1 1 A 129 129 THR CB C 129 68.300 68.338 -0.038 1 1 1255 . 4 1 1 A 129 129 THR N N 129 116.400 117.196 -0.796 1 1 1256 . 4 1 1 A 130 130 TYR H H 130 8.790 8.431 0.359 1 1 1257 . 4 1 1 A 130 130 TYR HA H 130 3.600 4.108 -0.508 1 1 1262 . 4 1 1 A 130 130 TYR C C 130 175.500 178.203 -2.703 1 1 1263 . 4 1 1 A 130 130 TYR CA C 130 62.600 61.895 0.705 1 1 1264 . 4 1 1 A 130 130 TYR CB C 130 37.500 38.603 -1.103 1 1 1265 . 4 1 1 A 130 130 TYR N N 130 123.500 122.700 0.800 1 1 1266 . 4 1 1 A 131 131 ASN H H 131 7.800 7.913 -0.113 1 1 1267 . 4 1 1 A 131 131 ASN HA H 131 4.220 4.370 -0.150 1 1 1270 . 4 1 1 A 131 131 ASN C C 131 179.200 177.829 1.371 1 1 1271 . 4 1 1 A 131 131 ASN CA C 131 55.500 56.275 -0.775 1 1 1272 . 4 1 1 A 131 131 ASN CB C 131 37.100 38.011 -0.911 1 1 1273 . 4 1 1 A 131 131 ASN N N 131 117.700 117.551 0.149 1 1 1274 . 4 1 1 A 132 132 ILE H H 132 7.520 7.542 -0.022 1 1 1275 . 4 1 1 A 132 132 ILE HA H 132 3.710 3.665 0.045 1 1 1285 . 4 1 1 A 132 132 ILE C C 132 178.100 178.492 -0.392 1 1 1286 . 4 1 1 A 132 132 ILE CA C 132 64.900 64.891 0.009 1 1 1287 . 4 1 1 A 132 132 ILE CB C 132 38.500 38.244 0.256 1 1 1291 . 4 1 1 A 132 132 ILE N N 132 121.000 120.789 0.211 1 1 1292 . 4 1 1 A 133 133 LEU H H 133 8.420 8.447 -0.027 1 1 1293 . 4 1 1 A 133 133 LEU HA H 133 3.910 3.971 -0.061 1 1 1303 . 4 1 1 A 133 133 LEU C C 133 179.600 179.445 0.155 1 1 1304 . 4 1 1 A 133 133 LEU CA C 133 57.900 57.922 -0.022 1 1 1305 . 4 1 1 A 133 133 LEU CB C 133 41.700 40.593 1.107 1 1 1309 . 4 1 1 A 133 133 LEU N N 133 120.500 118.312 2.188 1 1 1310 . 4 1 1 A 134 134 MET H H 134 8.990 8.147 0.843 1 1 1311 . 4 1 1 A 134 134 MET HA H 134 3.870 4.012 -0.142 1 1 1319 . 4 1 1 A 134 134 MET C C 134 167.400 178.035 -10.635 1 1 1320 . 4 1 1 A 134 134 MET CA C 134 58.400 58.112 0.288 1 1 1321 . 4 1 1 A 134 134 MET CB C 134 30.700 32.204 -1.504 1 1 1324 . 4 1 1 A 134 134 MET N N 134 119.900 117.801 2.099 1 1 1325 . 4 1 1 A 135 135 ALA H H 135 7.490 7.908 -0.418 1 1 1326 . 4 1 1 A 135 135 ALA HA H 135 4.060 4.156 -0.096 1 1 1330 . 4 1 1 A 135 135 ALA C C 135 179.100 179.624 -0.524 1 1 1331 . 4 1 1 A 135 135 ALA CA C 135 54.700 54.039 0.661 1 1 1332 . 4 1 1 A 135 135 ALA CB C 135 18.000 18.482 -0.482 1 1 1333 . 4 1 1 A 135 135 ALA N N 135 124.600 122.158 2.442 1 1 1334 . 4 1 1 A 136 136 GLU H H 136 7.540 7.724 -0.184 1 1 1335 . 4 1 1 A 136 136 GLU HA H 136 4.230 4.281 -0.051 1 1 1340 . 4 1 1 A 136 136 GLU C C 136 176.900 176.569 0.331 1 1 1341 . 4 1 1 A 136 136 GLU CA C 136 56.400 57.793 -1.393 1 1 1342 . 4 1 1 A 136 136 GLU CB C 136 30.300 30.221 0.079 1 1 1344 . 4 1 1 A 136 136 GLU N N 136 116.500 117.415 -0.915 1 1 1345 . 4 1 1 A 137 137 GLY H H 137 7.870 8.257 -0.387 1 1 1346 . 4 1 1 A 137 137 GLY HA2 H 137 3.760 3.922 -0.162 1 1 1347 . 4 1 1 A 137 137 GLY HA3 H 137 4.140 3.934 0.206 1 1 1348 . 4 1 1 A 137 137 GLY C C 137 175.100 174.267 0.833 1 1 1349 . 4 1 1 A 137 137 GLY CA C 137 45.600 45.576 0.024 1 1 1350 . 4 1 1 A 137 137 GLY N N 137 107.100 107.662 -0.562 1 1 1351 . 4 1 1 A 138 138 ARG H H 138 7.580 7.459 0.121 1 1 1352 . 4 1 1 A 138 138 ARG HA H 138 4.270 4.603 -0.333 1 1 1357 . 4 1 1 A 138 138 ARG C C 138 176.900 175.293 1.607 1 1 1358 . 4 1 1 A 138 138 ARG CA C 138 54.500 54.449 0.051 1 1 1359 . 4 1 1 A 138 138 ARG CB C 138 30.100 32.187 -2.087 1 1 1361 . 4 1 1 A 138 138 ARG N N 138 118.100 121.275 -3.175 1 1 1362 . 4 1 1 A 139 139 ARG H H 139 9.240 8.934 0.306 1 1 1363 . 4 1 1 A 139 139 ARG HA H 139 4.470 4.515 -0.045 1 1 1370 . 4 1 1 A 139 139 ARG C C 139 174.400 175.232 -0.832 1 1 1371 . 4 1 1 A 139 139 ARG CA C 139 55.700 56.129 -0.429 1 1 1372 . 4 1 1 A 139 139 ARG CB C 139 28.000 30.459 -2.459 1 1 1375 . 4 1 1 A 139 139 ARG N N 139 124.400 124.462 -0.062 1 1 1376 . 4 1 1 A 140 140 VAL H H 140 7.250 8.709 -1.459 1 1 1377 . 4 1 1 A 140 140 VAL HA H 140 5.180 5.350 -0.170 1 1 1385 . 4 1 1 A 140 140 VAL C C 140 172.800 173.966 -1.166 1 1 1386 . 4 1 1 A 140 140 VAL CA C 140 57.700 59.798 -2.098 1 1 1387 . 4 1 1 A 140 140 VAL CB C 140 34.700 34.880 -0.180 1 1 1390 . 4 1 1 A 140 140 VAL N N 140 121.900 123.699 -1.799 1 1 1391 . 4 1 1 A 141 141 VAL H H 141 8.180 8.673 -0.493 1 1 1392 . 4 1 1 A 141 141 VAL HA H 141 4.510 4.967 -0.457 1 1 1400 . 4 1 1 A 141 141 VAL C C 141 172.600 174.019 -1.419 1 1 1401 . 4 1 1 A 141 141 VAL CA C 141 60.300 60.792 -0.492 1 1 1402 . 4 1 1 A 141 141 VAL CB C 141 35.600 34.893 0.707 1 1 1405 . 4 1 1 A 141 141 VAL N N 141 123.900 127.566 -3.666 1 1 1406 . 4 1 1 A 142 142 VAL H H 142 8.430 8.576 -0.146 1 1 1407 . 4 1 1 A 142 142 VAL HA H 142 5.220 4.895 0.325 1 1 1415 . 4 1 1 A 142 142 VAL C C 142 170.000 172.663 -2.663 1 1 1416 . 4 1 1 A 142 142 VAL CA C 142 57.600 58.904 -1.304 1 1 1417 . 4 1 1 A 142 142 VAL CB C 142 35.500 34.148 1.352 1 1 1420 . 4 1 1 A 142 142 VAL N N 142 124.600 126.887 -2.287 1 1 1421 . 4 1 1 A 143 143 ALA H H 143 8.220 9.053 -0.833 1 1 1422 . 4 1 1 A 143 143 ALA HA H 143 4.680 5.103 -0.423 1 1 1426 . 4 1 1 A 143 143 ALA C C 143 175.400 175.640 -0.240 1 1 1427 . 4 1 1 A 143 143 ALA CA C 143 49.900 50.087 -0.187 1 1 1428 . 4 1 1 A 143 143 ALA CB C 143 19.600 20.713 -1.113 1 1 1429 . 4 1 1 A 143 143 ALA N N 143 129.100 129.679 -0.579 1 1 1430 . 4 1 1 A 144 144 LEU H H 144 9.070 9.198 -0.128 1 1 1431 . 4 1 1 A 144 144 LEU HA H 144 4.840 5.187 -0.347 1 1 1441 . 4 1 1 A 144 144 LEU CA C 144 53.400 53.383 0.017 1 1 1442 . 4 1 1 A 144 144 LEU CB C 144 46.500 44.625 1.875 1 1 1445 . 4 1 1 A 144 144 LEU N N 144 119.600 124.026 -4.426 1 1 1446 . 4 1 1 A 145 145 LEU HA H 145 4.830 4.991 -0.161 1 1 1456 . 4 1 1 A 145 145 LEU CA C 145 51.800 51.569 0.231 1 1 1457 . 4 1 1 A 145 145 LEU CB C 145 41.700 42.667 -0.967 1 1 1461 . 4 1 1 A 146 146 PRO HA H 146 4.330 4.803 -0.473 1 1 1466 . 4 1 1 A 146 146 PRO C C 146 175.700 176.107 -0.407 1 1 1467 . 4 1 1 A 146 146 PRO CA C 146 62.800 62.868 -0.068 1 1 1468 . 4 1 1 A 146 146 PRO CB C 146 31.500 32.627 -1.127 1 1 1470 . 4 1 1 A 147 147 ASP H H 147 8.660 8.539 0.121 1 1 1471 . 4 1 1 A 147 147 ASP HA H 147 4.510 4.879 -0.369 1 1 1474 . 4 1 1 A 147 147 ASP C C 147 176.300 176.325 -0.025 1 1 1475 . 4 1 1 A 147 147 ASP CA C 147 54.300 54.378 -0.078 1 1 1476 . 4 1 1 A 147 147 ASP CB C 147 42.100 42.061 0.039 1 1 1477 . 4 1 1 A 147 147 ASP N N 147 120.700 122.225 -1.525 1 1 1478 . 4 1 1 A 148 148 GLY H H 148 8.310 8.432 -0.122 1 1 1479 . 4 1 1 A 148 148 GLY HA2 H 148 4.020 4.040 -0.020 1 1 1480 . 4 1 1 A 148 148 GLY HA3 H 148 4.050 4.049 0.001 1 1 1481 . 4 1 1 A 148 148 GLY C C 148 173.600 174.285 -0.685 1 1 1482 . 4 1 1 A 148 148 GLY CA C 148 45.200 45.504 -0.304 1 1 1483 . 4 1 1 A 148 148 GLY N N 148 109.400 112.983 -3.583 1 1 1484 . 4 1 1 A 149 149 ASP H H 149 8.550 8.104 0.446 1 1 1485 . 4 1 1 A 149 149 ASP HA H 149 4.650 4.609 0.041 1 1 1488 . 4 1 1 A 149 149 ASP C C 149 176.700 175.915 0.785 1 1 1489 . 4 1 1 A 149 149 ASP CA C 149 54.500 54.785 -0.285 1 1 1490 . 4 1 1 A 149 149 ASP CB C 149 41.600 41.136 0.464 1 1 1491 . 4 1 1 A 149 149 ASP N N 149 120.800 122.530 -1.730 1 1 1492 . 4 1 1 A 150 150 SER H H 150 8.600 8.675 -0.075 1 1 1493 . 4 1 1 A 150 150 SER HA H 150 4.350 4.801 -0.451 1 1 1496 . 4 1 1 A 150 150 SER C C 150 175.000 173.332 1.668 1 1 1497 . 4 1 1 A 150 150 SER CA C 150 58.900 57.681 1.219 1 1 1498 . 4 1 1 A 150 150 SER CB C 150 63.500 62.808 0.692 1 1 1499 . 4 1 1 A 150 150 SER N N 150 116.400 119.247 -2.847 1 1 1500 . 4 1 1 A 151 151 LEU H H 151 8.290 8.439 -0.149 1 1 1501 . 4 1 1 A 151 151 LEU CA C 151 55.500 54.832 0.668 1 1 1502 . 4 1 1 A 151 151 LEU CB C 151 41.900 42.821 -0.921 1 1 5 . 5 1 1 A 4 4 HIS C C 4 174.800 174.725 0.075 1 1 6 . 5 1 1 A 4 4 HIS CA C 4 55.900 56.843 -0.943 1 1 7 . 5 1 1 A 4 4 HIS CB C 4 30.000 29.587 0.413 1 1 8 . 5 1 1 A 5 5 THR H H 5 7.990 8.739 -0.749 1 1 9 . 5 1 1 A 5 5 THR C C 5 173.800 174.417 -0.617 1 1 10 . 5 1 1 A 5 5 THR CA C 5 61.500 62.246 -0.746 1 1 11 . 5 1 1 A 5 5 THR CB C 5 69.900 68.167 1.733 1 1 12 . 5 1 1 A 5 5 THR N N 5 115.300 119.547 -4.247 1 1 13 . 5 1 1 A 6 6 ASP H H 6 8.370 8.964 -0.594 1 1 14 . 5 1 1 A 6 6 ASP HA H 6 4.860 4.258 0.602 1 1 17 . 5 1 1 A 6 6 ASP CA C 6 52.500 54.628 -2.128 1 1 18 . 5 1 1 A 6 6 ASP CB C 6 41.100 39.346 1.754 1 1 19 . 5 1 1 A 6 6 ASP N N 6 124.400 125.022 -0.622 1 1 20 . 5 1 1 A 7 7 PRO HA H 7 4.350 4.455 -0.105 1 1 26 . 5 1 1 A 7 7 PRO C C 7 176.900 176.866 0.034 1 1 27 . 5 1 1 A 7 7 PRO CA C 7 63.500 63.975 -0.475 1 1 28 . 5 1 1 A 7 7 PRO CB C 7 32.100 32.196 -0.096 1 1 31 . 5 1 1 A 8 8 ALA H H 8 8.420 8.268 0.152 1 1 32 . 5 1 1 A 8 8 ALA HA H 8 4.260 4.139 0.121 1 1 36 . 5 1 1 A 8 8 ALA C C 8 178.100 177.708 0.392 1 1 37 . 5 1 1 A 8 8 ALA CA C 8 52.900 54.668 -1.768 1 1 38 . 5 1 1 A 8 8 ALA CB C 8 19.200 19.869 -0.669 1 1 39 . 5 1 1 A 8 8 ALA N N 8 122.700 120.557 2.143 1 1 40 . 5 1 1 A 9 9 THR H H 9 7.880 7.894 -0.014 1 1 41 . 5 1 1 A 9 9 THR HA H 9 4.230 4.834 -0.604 1 1 46 . 5 1 1 A 9 9 THR C C 9 173.800 172.713 1.087 1 1 47 . 5 1 1 A 9 9 THR CA C 9 61.700 59.463 2.237 1 1 48 . 5 1 1 A 9 9 THR CB C 9 69.700 71.967 -2.267 1 1 50 . 5 1 1 A 9 9 THR N N 9 112.900 109.820 3.080 1 1 51 . 5 1 1 A 10 10 ALA H H 10 8.160 8.534 -0.374 1 1 52 . 5 1 1 A 10 10 ALA HA H 10 4.340 4.593 -0.253 1 1 56 . 5 1 1 A 10 10 ALA C C 10 177.000 176.885 0.115 1 1 57 . 5 1 1 A 10 10 ALA CA C 10 52.300 51.659 0.641 1 1 58 . 5 1 1 A 10 10 ALA CB C 10 19.400 18.973 0.427 1 1 59 . 5 1 1 A 10 10 ALA N N 10 127.000 124.708 2.292 1 1 60 . 5 1 1 A 11 11 LEU H H 11 8.040 8.706 -0.666 1 1 61 . 5 1 1 A 11 11 LEU HA H 11 4.640 4.489 0.151 1 1 70 . 5 1 1 A 11 11 LEU C C 11 178.300 176.483 1.817 1 1 71 . 5 1 1 A 11 11 LEU CA C 11 54.000 54.920 -0.920 1 1 72 . 5 1 1 A 11 11 LEU CB C 11 42.900 41.442 1.458 1 1 75 . 5 1 1 A 11 11 LEU N N 11 121.500 124.756 -3.256 1 1 76 . 5 1 1 A 12 12 ASN H H 12 9.700 8.806 0.894 1 1 77 . 5 1 1 A 12 12 ASN HA H 12 4.760 5.135 -0.375 1 1 80 . 5 1 1 A 12 12 ASN C C 12 174.700 174.492 0.208 1 1 81 . 5 1 1 A 12 12 ASN CA C 12 54.100 53.080 1.020 1 1 82 . 5 1 1 A 12 12 ASN CB C 12 38.100 39.530 -1.430 1 1 83 . 5 1 1 A 12 12 ASN N N 12 121.500 123.698 -2.198 1 1 84 . 5 1 1 A 13 13 THR H H 13 8.710 8.870 -0.160 1 1 85 . 5 1 1 A 13 13 THR HA H 13 4.760 5.005 -0.245 1 1 90 . 5 1 1 A 13 13 THR C C 13 173.600 174.252 -0.652 1 1 91 . 5 1 1 A 13 13 THR CA C 13 61.900 61.770 0.130 1 1 92 . 5 1 1 A 13 13 THR CB C 13 71.500 71.469 0.031 1 1 94 . 5 1 1 A 13 13 THR N N 13 121.800 119.152 2.648 1 1 95 . 5 1 1 A 14 14 VAL H H 14 9.500 9.197 0.303 1 1 96 . 5 1 1 A 14 14 VAL HA H 14 4.660 4.136 0.524 1 1 104 . 5 1 1 A 14 14 VAL C C 14 177.000 175.946 1.054 1 1 105 . 5 1 1 A 14 14 VAL CA C 14 63.800 63.861 -0.061 1 1 106 . 5 1 1 A 14 14 VAL CB C 14 30.600 31.355 -0.755 1 1 109 . 5 1 1 A 14 14 VAL N N 14 126.700 126.254 0.446 1 1 110 . 5 1 1 A 15 15 THR H H 15 8.900 9.275 -0.375 1 1 111 . 5 1 1 A 15 15 THR HA H 15 4.300 4.404 -0.104 1 1 116 . 5 1 1 A 15 15 THR C C 15 174.900 175.119 -0.219 1 1 117 . 5 1 1 A 15 15 THR CA C 15 62.800 63.806 -1.006 1 1 118 . 5 1 1 A 15 15 THR CB C 15 68.700 69.403 -0.703 1 1 120 . 5 1 1 A 15 15 THR N N 15 122.000 123.035 -1.035 1 1 121 . 5 1 1 A 16 16 ALA H H 16 7.960 7.547 0.413 1 1 122 . 5 1 1 A 16 16 ALA HA H 16 4.360 4.754 -0.394 1 1 126 . 5 1 1 A 16 16 ALA C C 16 174.400 174.928 -0.528 1 1 127 . 5 1 1 A 16 16 ALA CA C 16 52.600 51.658 0.942 1 1 128 . 5 1 1 A 16 16 ALA CB C 16 21.900 22.319 -0.419 1 1 129 . 5 1 1 A 16 16 ALA N N 16 120.900 119.994 0.906 1 1 130 . 5 1 1 A 17 17 TYR H H 17 7.790 8.659 -0.869 1 1 131 . 5 1 1 A 17 17 TYR HA H 17 4.390 4.959 -0.569 1 1 136 . 5 1 1 A 17 17 TYR C C 17 173.000 175.346 -2.346 1 1 137 . 5 1 1 A 17 17 TYR CA C 17 56.400 57.527 -1.127 1 1 138 . 5 1 1 A 17 17 TYR CB C 17 39.700 41.003 -1.303 1 1 141 . 5 1 1 A 17 17 TYR N N 17 114.800 122.579 -7.779 1 1 142 . 5 1 1 A 18 18 GLY H H 18 7.030 7.921 -0.891 1 1 143 . 5 1 1 A 18 18 GLY HA2 H 18 3.210 3.685 -0.475 1 1 144 . 5 1 1 A 18 18 GLY HA3 H 18 3.900 3.868 0.032 1 1 145 . 5 1 1 A 18 18 GLY C C 18 172.200 174.936 -2.736 1 1 146 . 5 1 1 A 18 18 GLY CA C 18 44.900 45.403 -0.503 1 1 147 . 5 1 1 A 18 18 GLY N N 18 108.600 113.136 -4.536 1 1 148 . 5 1 1 A 19 19 ASP H H 19 8.410 7.638 0.772 1 1 149 . 5 1 1 A 19 19 ASP HA H 19 4.320 4.504 -0.184 1 1 152 . 5 1 1 A 19 19 ASP C C 19 176.500 175.921 0.579 1 1 153 . 5 1 1 A 19 19 ASP CA C 19 55.600 54.270 1.330 1 1 154 . 5 1 1 A 19 19 ASP CB C 19 39.500 40.929 -1.429 1 1 155 . 5 1 1 A 19 19 ASP N N 19 120.400 119.276 1.124 1 1 156 . 5 1 1 A 20 20 GLY H H 20 8.670 7.583 1.087 1 1 157 . 5 1 1 A 20 20 GLY HA2 H 20 3.670 4.021 -0.351 1 1 158 . 5 1 1 A 20 20 GLY HA3 H 20 4.210 4.059 0.151 1 1 159 . 5 1 1 A 20 20 GLY C C 20 173.900 173.966 -0.066 1 1 160 . 5 1 1 A 20 20 GLY CA C 20 45.800 45.189 0.611 1 1 161 . 5 1 1 A 20 20 GLY N N 20 113.500 105.660 7.840 1 1 162 . 5 1 1 A 21 21 TYR H H 21 7.530 7.427 0.103 1 1 163 . 5 1 1 A 21 21 TYR HA H 21 5.480 5.311 0.169 1 1 168 . 5 1 1 A 21 21 TYR C C 21 172.800 174.299 -1.499 1 1 169 . 5 1 1 A 21 21 TYR CA C 21 56.700 55.516 1.184 1 1 170 . 5 1 1 A 21 21 TYR CB C 21 41.400 42.149 -0.749 1 1 173 . 5 1 1 A 21 21 TYR N N 21 114.300 118.142 -3.842 1 1 174 . 5 1 1 A 22 22 ILE H H 22 8.780 9.425 -0.645 1 1 175 . 5 1 1 A 22 22 ILE HA H 22 4.350 4.795 -0.445 1 1 185 . 5 1 1 A 22 22 ILE C C 22 173.800 174.601 -0.801 1 1 186 . 5 1 1 A 22 22 ILE CA C 22 60.200 60.465 -0.265 1 1 187 . 5 1 1 A 22 22 ILE CB C 22 41.700 39.027 2.673 1 1 191 . 5 1 1 A 22 22 ILE N N 22 119.300 121.376 -2.076 1 1 192 . 5 1 1 A 23 23 GLU H H 23 9.010 9.553 -0.543 1 1 193 . 5 1 1 A 23 23 GLU HA H 23 5.680 5.250 0.430 1 1 198 . 5 1 1 A 23 23 GLU C C 23 175.000 175.606 -0.606 1 1 199 . 5 1 1 A 23 23 GLU CA C 23 54.300 55.780 -1.480 1 1 200 . 5 1 1 A 23 23 GLU CB C 23 33.500 31.029 2.471 1 1 202 . 5 1 1 A 23 23 GLU N N 23 127.800 128.834 -1.034 1 1 203 . 5 1 1 A 24 24 VAL H H 24 8.980 9.035 -0.055 1 1 204 . 5 1 1 A 24 24 VAL HA H 24 4.840 4.534 0.306 1 1 212 . 5 1 1 A 24 24 VAL C C 24 177.300 176.250 1.050 1 1 213 . 5 1 1 A 24 24 VAL CA C 24 60.600 61.190 -0.590 1 1 214 . 5 1 1 A 24 24 VAL CB C 24 33.600 33.746 -0.146 1 1 217 . 5 1 1 A 24 24 VAL N N 24 125.400 127.608 -2.208 1 1 218 . 5 1 1 A 25 25 ASN H H 25 9.340 9.527 -0.187 1 1 219 . 5 1 1 A 25 25 ASN HA H 25 4.340 4.359 -0.019 1 1 222 . 5 1 1 A 25 25 ASN C C 25 173.800 174.239 -0.439 1 1 223 . 5 1 1 A 25 25 ASN CA C 25 54.600 54.385 0.215 1 1 224 . 5 1 1 A 25 25 ASN CB C 25 36.600 37.189 -0.589 1 1 225 . 5 1 1 A 25 25 ASN N N 25 127.800 126.548 1.252 1 1 226 . 5 1 1 A 26 26 GLN H H 26 7.920 8.454 -0.534 1 1 227 . 5 1 1 A 26 26 GLN HA H 26 3.670 4.172 -0.502 1 1 232 . 5 1 1 A 26 26 GLN C C 26 174.400 174.894 -0.494 1 1 233 . 5 1 1 A 26 26 GLN CA C 26 58.100 57.645 0.455 1 1 234 . 5 1 1 A 26 26 GLN CB C 26 26.500 26.916 -0.416 1 1 236 . 5 1 1 A 26 26 GLN N N 26 104.100 110.087 -5.987 1 1 237 . 5 1 1 A 27 27 VAL H H 27 7.850 7.518 0.332 1 1 238 . 5 1 1 A 27 27 VAL HA H 27 3.900 3.860 0.040 1 1 246 . 5 1 1 A 27 27 VAL C C 27 174.200 174.870 -0.670 1 1 247 . 5 1 1 A 27 27 VAL CA C 27 62.100 62.238 -0.138 1 1 248 . 5 1 1 A 27 27 VAL CB C 27 32.500 31.625 0.875 1 1 251 . 5 1 1 A 27 27 VAL N N 27 123.100 120.745 2.355 1 1 252 . 5 1 1 A 28 28 ARG H H 28 8.430 8.476 -0.046 1 1 253 . 5 1 1 A 28 28 ARG HA H 28 4.320 4.670 -0.350 1 1 256 . 5 1 1 A 28 28 ARG C C 28 175.200 174.458 0.742 1 1 257 . 5 1 1 A 28 28 ARG CA C 28 57.100 55.167 1.933 1 1 258 . 5 1 1 A 28 28 ARG CB C 28 31.300 30.226 1.074 1 1 259 . 5 1 1 A 28 28 ARG N N 28 126.200 127.950 -1.750 1 1 260 . 5 1 1 A 29 29 PHE H H 29 9.290 9.370 -0.080 1 1 261 . 5 1 1 A 29 29 PHE HA H 29 4.580 4.620 -0.040 1 1 266 . 5 1 1 A 29 29 PHE C C 29 175.800 175.647 0.153 1 1 267 . 5 1 1 A 29 29 PHE CA C 29 57.700 57.601 0.099 1 1 268 . 5 1 1 A 29 29 PHE CB C 29 42.000 39.984 2.016 1 1 271 . 5 1 1 A 29 29 PHE N N 29 123.900 125.518 -1.618 1 1 272 . 5 1 1 A 30 30 SER H H 30 8.950 8.501 0.449 1 1 273 . 5 1 1 A 30 30 SER HA H 30 5.130 4.895 0.235 1 1 276 . 5 1 1 A 30 30 SER C C 30 172.900 173.053 -0.153 1 1 277 . 5 1 1 A 30 30 SER CA C 30 57.000 58.187 -1.187 1 1 278 . 5 1 1 A 30 30 SER CB C 30 63.200 63.195 0.005 1 1 279 . 5 1 1 A 30 30 SER N N 30 119.400 119.609 -0.209 1 1 280 . 5 1 1 A 31 31 HIS H H 31 7.170 7.452 -0.282 1 1 281 . 5 1 1 A 31 31 HIS HA H 31 4.840 4.947 -0.107 1 1 284 . 5 1 1 A 31 31 HIS C C 31 171.900 175.021 -3.121 1 1 285 . 5 1 1 A 31 31 HIS CA C 31 53.200 55.025 -1.825 1 1 286 . 5 1 1 A 31 31 HIS CB C 31 31.100 33.462 -2.362 1 1 287 . 5 1 1 A 31 31 HIS N N 31 114.600 120.110 -5.510 1 1 288 . 5 1 1 A 32 32 ALA H H 32 8.930 8.489 0.441 1 1 289 . 5 1 1 A 32 32 ALA HA H 32 5.050 4.586 0.464 1 1 293 . 5 1 1 A 32 32 ALA C C 32 179.000 177.910 1.090 1 1 294 . 5 1 1 A 32 32 ALA CA C 32 53.700 52.264 1.436 1 1 295 . 5 1 1 A 32 32 ALA CB C 32 20.700 19.376 1.324 1 1 296 . 5 1 1 A 32 32 ALA N N 32 120.200 123.933 -3.733 1 1 297 . 5 1 1 A 33 33 ILE H H 33 8.280 8.701 -0.421 1 1 298 . 5 1 1 A 33 33 ILE HA H 33 5.520 5.401 0.119 1 1 308 . 5 1 1 A 33 33 ILE C C 33 173.400 174.515 -1.115 1 1 309 . 5 1 1 A 33 33 ILE CA C 33 59.500 59.347 0.153 1 1 310 . 5 1 1 A 33 33 ILE CB C 33 44.500 42.281 2.219 1 1 313 . 5 1 1 A 33 33 ILE N N 33 115.800 117.889 -2.089 1 1 314 . 5 1 1 A 34 34 ALA H H 34 8.900 8.995 -0.095 1 1 315 . 5 1 1 A 34 34 ALA HA H 34 5.290 5.597 -0.307 1 1 319 . 5 1 1 A 34 34 ALA C C 34 176.100 175.908 0.192 1 1 320 . 5 1 1 A 34 34 ALA CA C 34 51.100 50.510 0.590 1 1 321 . 5 1 1 A 34 34 ALA CB C 34 21.900 21.740 0.160 1 1 322 . 5 1 1 A 34 34 ALA N N 34 121.600 125.558 -3.958 1 1 323 . 5 1 1 A 35 35 PHE H H 35 8.580 8.400 0.180 1 1 324 . 5 1 1 A 35 35 PHE HA H 35 4.740 5.300 -0.560 1 1 330 . 5 1 1 A 35 35 PHE C C 35 170.000 172.738 -2.738 1 1 331 . 5 1 1 A 35 35 PHE CA C 35 57.100 55.559 1.541 1 1 332 . 5 1 1 A 35 35 PHE CB C 35 39.700 41.779 -2.079 1 1 336 . 5 1 1 A 35 35 PHE N N 35 116.600 117.372 -0.772 1 1 337 . 5 1 1 A 36 36 ALA H H 36 8.730 8.600 0.130 1 1 338 . 5 1 1 A 36 36 ALA HA H 36 5.170 4.759 0.411 1 1 342 . 5 1 1 A 36 36 ALA CA C 36 49.100 49.972 -0.872 1 1 343 . 5 1 1 A 36 36 ALA CB C 36 20.500 21.703 -1.203 1 1 344 . 5 1 1 A 36 36 ALA N N 36 123.400 120.879 2.521 1 1 345 . 5 1 1 A 37 37 PRO HA H 37 4.740 4.472 0.268 1 1 350 . 5 1 1 A 37 37 PRO C C 37 176.500 177.084 -0.584 1 1 351 . 5 1 1 A 37 37 PRO CA C 37 66.200 65.308 0.892 1 1 352 . 5 1 1 A 37 37 PRO CB C 37 33.600 31.873 1.727 1 1 354 . 5 1 1 A 38 38 GLU H H 38 7.450 8.452 -1.002 1 1 355 . 5 1 1 A 38 38 GLU HA H 38 4.790 4.564 0.226 1 1 360 . 5 1 1 A 38 38 GLU C C 38 177.300 175.490 1.810 1 1 361 . 5 1 1 A 38 38 GLU CA C 38 54.200 56.142 -1.942 1 1 362 . 5 1 1 A 38 38 GLU CB C 38 32.600 30.194 2.406 1 1 364 . 5 1 1 A 38 38 GLU N N 38 110.100 116.664 -6.564 1 1 365 . 5 1 1 A 39 39 GLY H H 39 8.600 8.185 0.415 1 1 366 . 5 1 1 A 39 39 GLY HA2 H 39 3.920 4.247 -0.327 1 1 367 . 5 1 1 A 39 39 GLY HA3 H 39 4.440 4.253 0.187 1 1 368 . 5 1 1 A 39 39 GLY CA C 39 44.400 43.932 0.468 1 1 369 . 5 1 1 A 39 39 GLY N N 39 109.500 108.747 0.753 1 1 370 . 5 1 1 A 40 40 PRO HA H 40 4.550 4.538 0.012 1 1 375 . 5 1 1 A 40 40 PRO C C 40 177.100 176.196 0.904 1 1 376 . 5 1 1 A 40 40 PRO CA C 40 62.500 63.015 -0.515 1 1 377 . 5 1 1 A 40 40 PRO CB C 40 32.700 32.029 0.671 1 1 378 . 5 1 1 A 41 41 VAL H H 41 8.530 8.411 0.119 1 1 379 . 5 1 1 A 41 41 VAL HA H 41 3.900 4.246 -0.346 1 1 387 . 5 1 1 A 41 41 VAL C C 41 175.200 175.388 -0.188 1 1 388 . 5 1 1 A 41 41 VAL CA C 41 63.000 62.063 0.937 1 1 389 . 5 1 1 A 41 41 VAL CB C 41 31.100 30.509 0.591 1 1 392 . 5 1 1 A 41 41 VAL N N 41 123.000 122.827 0.173 1 1 393 . 5 1 1 A 42 42 ALA H H 42 8.320 8.823 -0.503 1 1 394 . 5 1 1 A 42 42 ALA HA H 42 4.750 4.705 0.045 1 1 398 . 5 1 1 A 42 42 ALA C C 42 177.400 177.231 0.169 1 1 399 . 5 1 1 A 42 42 ALA CA C 42 50.800 51.436 -0.636 1 1 400 . 5 1 1 A 42 42 ALA CB C 42 21.400 19.693 1.707 1 1 401 . 5 1 1 A 42 42 ALA N N 42 131.300 130.480 0.820 1 1 402 . 5 1 1 A 43 43 SER H H 43 8.660 8.723 -0.063 1 1 403 . 5 1 1 A 43 43 SER HA H 43 4.690 4.791 -0.101 1 1 406 . 5 1 1 A 43 43 SER CA C 43 59.000 58.898 0.102 1 1 407 . 5 1 1 A 43 43 SER CB C 43 62.800 63.781 -0.981 1 1 408 . 5 1 1 A 43 43 SER N N 43 115.400 119.693 -4.293 1 1 409 . 5 1 1 A 44 44 TRP HA H 44 5.470 5.053 0.417 1 1 418 . 5 1 1 A 44 44 TRP CA C 44 52.200 55.379 -3.179 1 1 419 . 5 1 1 A 44 44 TRP CB C 44 31.000 31.177 -0.177 1 1 426 . 5 1 1 A 45 45 PRO HA H 45 4.550 4.412 0.138 1 1 431 . 5 1 1 A 45 45 PRO C C 45 173.000 176.090 -3.090 1 1 432 . 5 1 1 A 45 45 PRO CA C 45 63.300 63.653 -0.353 1 1 433 . 5 1 1 A 45 45 PRO CB C 45 27.800 31.878 -4.078 1 1 435 . 5 1 1 A 46 46 VAL H H 46 8.390 7.470 0.920 1 1 436 . 5 1 1 A 46 46 VAL HA H 46 3.770 3.935 -0.165 1 1 444 . 5 1 1 A 46 46 VAL C C 46 174.100 175.574 -1.474 1 1 445 . 5 1 1 A 46 46 VAL CA C 46 61.100 61.292 -0.192 1 1 446 . 5 1 1 A 46 46 VAL CB C 46 35.200 31.286 3.914 1 1 449 . 5 1 1 A 46 46 VAL N N 46 124.300 120.509 3.791 1 1 450 . 5 1 1 A 47 47 GLN H H 47 8.970 8.639 0.331 1 1 451 . 5 1 1 A 47 47 GLN HA H 47 4.430 4.400 0.030 1 1 456 . 5 1 1 A 47 47 GLN C C 47 175.100 175.774 -0.674 1 1 457 . 5 1 1 A 47 47 GLN CA C 47 56.400 56.739 -0.339 1 1 458 . 5 1 1 A 47 47 GLN CB C 47 30.900 30.002 0.898 1 1 459 . 5 1 1 A 47 47 GLN N N 47 122.000 126.473 -4.473 1 1 460 . 5 1 1 A 48 48 ARG H H 48 7.720 7.476 0.244 1 1 461 . 5 1 1 A 48 48 ARG HA H 48 4.750 4.675 0.075 1 1 468 . 5 1 1 A 48 48 ARG CA C 48 52.800 52.115 0.685 1 1 469 . 5 1 1 A 48 48 ARG CB C 48 30.500 31.633 -1.133 1 1 471 . 5 1 1 A 48 48 ARG N N 48 116.600 118.304 -1.704 1 1 472 . 5 1 1 A 49 49 PRO HA H 49 3.750 4.325 -0.575 1 1 477 . 5 1 1 A 49 49 PRO C C 49 177.500 177.069 0.431 1 1 478 . 5 1 1 A 49 49 PRO CA C 49 65.400 63.974 1.426 1 1 479 . 5 1 1 A 49 49 PRO CB C 49 30.700 31.622 -0.922 1 1 481 . 5 1 1 A 50 50 ALA H H 50 7.960 8.095 -0.135 1 1 482 . 5 1 1 A 50 50 ALA HA H 50 4.010 4.133 -0.123 1 1 486 . 5 1 1 A 50 50 ALA C C 50 177.300 178.110 -0.810 1 1 487 . 5 1 1 A 50 50 ALA CA C 50 53.800 53.378 0.422 1 1 488 . 5 1 1 A 50 50 ALA CB C 50 18.500 19.210 -0.710 1 1 489 . 5 1 1 A 50 50 ALA N N 50 117.200 121.290 -4.090 1 1 490 . 5 1 1 A 51 51 ASP H H 51 7.570 7.733 -0.163 1 1 491 . 5 1 1 A 51 51 ASP HA H 51 4.410 4.624 -0.214 1 1 494 . 5 1 1 A 51 51 ASP C C 51 176.000 176.467 -0.467 1 1 495 . 5 1 1 A 51 51 ASP CA C 51 54.200 54.833 -0.633 1 1 496 . 5 1 1 A 51 51 ASP CB C 51 41.900 41.296 0.604 1 1 497 . 5 1 1 A 51 51 ASP N N 51 114.800 116.078 -1.278 1 1 498 . 5 1 1 A 52 52 ILE H H 52 7.290 7.268 0.022 1 1 499 . 5 1 1 A 52 52 ILE HA H 52 3.100 3.891 -0.791 1 1 509 . 5 1 1 A 52 52 ILE C C 52 174.800 175.022 -0.222 1 1 510 . 5 1 1 A 52 52 ILE CA C 52 65.100 62.184 2.916 1 1 511 . 5 1 1 A 52 52 ILE CB C 52 37.100 37.507 -0.407 1 1 515 . 5 1 1 A 52 52 ILE N N 52 117.700 121.556 -3.856 1 1 516 . 5 1 1 A 53 53 THR H H 53 6.560 8.265 -1.705 1 1 517 . 5 1 1 A 53 53 THR HA H 53 4.720 4.861 -0.141 1 1 522 . 5 1 1 A 53 53 THR C C 53 174.600 175.753 -1.153 1 1 523 . 5 1 1 A 53 53 THR CA C 53 58.500 59.846 -1.346 1 1 524 . 5 1 1 A 53 53 THR CB C 53 72.900 71.960 0.940 1 1 526 . 5 1 1 A 53 53 THR N N 53 117.300 117.864 -0.564 1 1 527 . 5 1 1 A 54 54 ALA H H 54 9.340 9.046 0.294 1 1 528 . 5 1 1 A 54 54 ALA HA H 54 4.460 4.064 0.396 1 1 532 . 5 1 1 A 54 54 ALA C C 54 167.400 179.904 -12.504 1 1 533 . 5 1 1 A 54 54 ALA CA C 54 55.800 55.400 0.400 1 1 534 . 5 1 1 A 54 54 ALA CB C 54 18.200 18.166 0.034 1 1 535 . 5 1 1 A 54 54 ALA N N 54 123.800 124.406 -0.606 1 1 536 . 5 1 1 A 55 55 SER H H 55 8.530 8.008 0.522 1 1 537 . 5 1 1 A 55 55 SER HA H 55 4.280 4.086 0.194 1 1 541 . 5 1 1 A 55 55 SER C C 55 177.700 176.256 1.444 1 1 542 . 5 1 1 A 55 55 SER CA C 55 61.600 62.214 -0.614 1 1 543 . 5 1 1 A 55 55 SER CB C 55 62.600 63.045 -0.445 1 1 544 . 5 1 1 A 55 55 SER N N 55 112.600 114.393 -1.793 1 1 545 . 5 1 1 A 56 56 LEU H H 56 7.810 8.271 -0.461 1 1 546 . 5 1 1 A 56 56 LEU HA H 56 4.280 4.212 0.068 1 1 556 . 5 1 1 A 56 56 LEU C C 56 168.100 179.331 -11.231 1 1 557 . 5 1 1 A 56 56 LEU CA C 56 57.900 57.973 -0.073 1 1 558 . 5 1 1 A 56 56 LEU CB C 56 42.100 41.547 0.553 1 1 562 . 5 1 1 A 56 56 LEU N N 56 122.500 120.974 1.526 1 1 563 . 5 1 1 A 57 57 LEU H H 57 8.490 8.252 0.238 1 1 564 . 5 1 1 A 57 57 LEU HA H 57 4.180 3.922 0.258 1 1 574 . 5 1 1 A 57 57 LEU C C 57 178.000 179.382 -1.382 1 1 575 . 5 1 1 A 57 57 LEU CA C 57 58.300 58.049 0.251 1 1 576 . 5 1 1 A 57 57 LEU CB C 57 41.200 40.836 0.364 1 1 580 . 5 1 1 A 57 57 LEU N N 57 123.900 119.593 4.307 1 1 581 . 5 1 1 A 58 58 GLN H H 58 8.500 8.086 0.414 1 1 582 . 5 1 1 A 58 58 GLN HA H 58 3.680 3.970 -0.290 1 1 589 . 5 1 1 A 58 58 GLN C C 58 178.200 178.944 -0.744 1 1 590 . 5 1 1 A 58 58 GLN CA C 58 60.200 59.242 0.958 1 1 591 . 5 1 1 A 58 58 GLN CB C 58 28.500 28.109 0.391 1 1 593 . 5 1 1 A 58 58 GLN N N 58 118.800 119.075 -0.275 1 1 595 . 5 1 1 A 59 59 GLN H H 59 8.300 7.832 0.468 1 1 596 . 5 1 1 A 59 59 GLN HA H 59 4.090 3.969 0.121 1 1 601 . 5 1 1 A 59 59 GLN C C 59 179.900 178.483 1.417 1 1 602 . 5 1 1 A 59 59 GLN CA C 59 58.900 58.635 0.265 1 1 603 . 5 1 1 A 59 59 GLN CB C 59 28.800 28.464 0.336 1 1 605 . 5 1 1 A 59 59 GLN N N 59 118.600 118.815 -0.215 1 1 606 . 5 1 1 A 60 60 ALA H H 60 7.850 7.949 -0.099 1 1 607 . 5 1 1 A 60 60 ALA HA H 60 3.580 3.573 0.007 1 1 611 . 5 1 1 A 60 60 ALA C C 60 176.700 178.984 -2.284 1 1 612 . 5 1 1 A 60 60 ALA CA C 60 54.700 53.981 0.719 1 1 613 . 5 1 1 A 60 60 ALA CB C 60 17.400 17.276 0.124 1 1 614 . 5 1 1 A 60 60 ALA N N 60 122.500 121.492 1.008 1 1 615 . 5 1 1 A 61 61 ALA H H 61 7.540 7.340 0.200 1 1 616 . 5 1 1 A 61 61 ALA HA H 61 3.970 4.239 -0.269 1 1 620 . 5 1 1 A 61 61 ALA C C 61 176.300 177.560 -1.260 1 1 621 . 5 1 1 A 61 61 ALA CA C 61 52.400 51.872 0.528 1 1 622 . 5 1 1 A 61 61 ALA CB C 61 19.100 19.462 -0.362 1 1 623 . 5 1 1 A 61 61 ALA N N 61 113.700 117.632 -3.932 1 1 624 . 5 1 1 A 62 62 GLY H H 62 7.600 7.580 0.020 1 1 625 . 5 1 1 A 62 62 GLY HA2 H 62 3.890 3.901 -0.011 1 1 626 . 5 1 1 A 62 62 GLY HA3 H 62 3.980 3.910 0.070 1 1 627 . 5 1 1 A 62 62 GLY C C 62 175.400 174.531 0.869 1 1 628 . 5 1 1 A 62 62 GLY CA C 62 45.800 46.271 -0.471 1 1 629 . 5 1 1 A 62 62 GLY N N 62 104.800 107.386 -2.586 1 1 630 . 5 1 1 A 63 63 LEU H H 63 7.770 8.045 -0.275 1 1 631 . 5 1 1 A 63 63 LEU HA H 63 4.430 4.356 0.074 1 1 640 . 5 1 1 A 63 63 LEU C C 63 176.400 175.069 1.331 1 1 641 . 5 1 1 A 63 63 LEU CA C 63 54.000 54.115 -0.115 1 1 642 . 5 1 1 A 63 63 LEU CB C 63 42.500 39.995 2.505 1 1 645 . 5 1 1 A 63 63 LEU N N 63 119.100 122.294 -3.194 1 1 646 . 5 1 1 A 64 64 ALA H H 64 8.060 7.735 0.325 1 1 647 . 5 1 1 A 64 64 ALA HA H 64 4.160 5.033 -0.873 1 1 651 . 5 1 1 A 64 64 ALA C C 64 177.300 175.752 1.548 1 1 652 . 5 1 1 A 64 64 ALA CA C 64 52.700 50.512 2.188 1 1 653 . 5 1 1 A 64 64 ALA CB C 64 19.700 22.456 -2.756 1 1 654 . 5 1 1 A 64 64 ALA N N 64 122.900 123.357 -0.457 1 1 655 . 5 1 1 A 65 65 GLU H H 65 8.260 8.757 -0.497 1 1 656 . 5 1 1 A 65 65 GLU C C 65 176.300 175.451 0.849 1 1 657 . 5 1 1 A 65 65 GLU CA C 65 56.400 56.580 -0.180 1 1 658 . 5 1 1 A 65 65 GLU CB C 65 30.100 30.165 -0.065 1 1 659 . 5 1 1 A 65 65 GLU N N 65 118.900 122.698 -3.798 1 1 660 . 5 1 1 A 66 66 VAL H H 66 7.960 8.726 -0.766 1 1 661 . 5 1 1 A 66 66 VAL HA H 66 4.020 4.565 -0.545 1 1 663 . 5 1 1 A 66 66 VAL C C 66 175.900 175.908 -0.008 1 1 664 . 5 1 1 A 66 66 VAL CA C 66 62.300 60.829 1.471 1 1 665 . 5 1 1 A 66 66 VAL CB C 66 32.800 33.673 -0.873 1 1 666 . 5 1 1 A 66 66 VAL N N 66 121.500 125.491 -3.991 1 1 667 . 5 1 1 A 67 67 VAL H H 67 8.210 8.297 -0.087 1 1 668 . 5 1 1 A 67 67 VAL C C 67 175.800 175.185 0.615 1 1 669 . 5 1 1 A 67 67 VAL CA C 67 62.200 62.361 -0.161 1 1 670 . 5 1 1 A 67 67 VAL CB C 67 32.600 30.871 1.729 1 1 671 . 5 1 1 A 67 67 VAL N N 67 124.900 121.357 3.543 1 1 672 . 5 1 1 A 68 68 ARG H H 68 8.380 8.793 -0.413 1 1 673 . 5 1 1 A 68 68 ARG HA H 68 4.270 4.518 -0.248 1 1 674 . 5 1 1 A 68 68 ARG C C 68 175.400 174.950 0.450 1 1 675 . 5 1 1 A 68 68 ARG CA C 68 55.700 55.737 -0.037 1 1 676 . 5 1 1 A 68 68 ARG CB C 68 31.100 29.922 1.178 1 1 677 . 5 1 1 A 68 68 ARG N N 68 125.900 126.920 -1.020 1 1 678 . 5 1 1 A 69 69 ASP H H 69 8.390 8.164 0.226 1 1 679 . 5 1 1 A 69 69 ASP HA H 69 4.800 4.813 -0.013 1 1 682 . 5 1 1 A 69 69 ASP CA C 69 51.700 51.361 0.339 1 1 683 . 5 1 1 A 69 69 ASP CB C 69 41.700 41.893 -0.193 1 1 684 . 5 1 1 A 69 69 ASP N N 69 123.600 126.456 -2.856 1 1 685 . 5 1 1 A 70 70 PRO HA H 70 4.290 4.510 -0.220 1 1 688 . 5 1 1 A 70 70 PRO C C 70 177.500 177.126 0.374 1 1 689 . 5 1 1 A 70 70 PRO CA C 70 64.100 63.846 0.254 1 1 690 . 5 1 1 A 70 70 PRO CB C 70 32.300 32.696 -0.396 1 1 691 . 5 1 1 A 71 71 LEU H H 71 8.280 7.948 0.332 1 1 692 . 5 1 1 A 71 71 LEU HA H 71 4.260 4.343 -0.083 1 1 698 . 5 1 1 A 71 71 LEU C C 71 177.600 178.314 -0.714 1 1 699 . 5 1 1 A 71 71 LEU CA C 71 55.100 55.681 -0.581 1 1 700 . 5 1 1 A 71 71 LEU CB C 71 41.200 41.925 -0.725 1 1 702 . 5 1 1 A 71 71 LEU N N 71 118.400 118.774 -0.374 1 1 703 . 5 1 1 A 72 72 ALA H H 72 7.660 7.874 -0.214 1 1 704 . 5 1 1 A 72 72 ALA HA H 72 4.170 4.332 -0.162 1 1 708 . 5 1 1 A 72 72 ALA C C 72 177.400 178.570 -1.170 1 1 709 . 5 1 1 A 72 72 ALA CA C 72 52.600 53.450 -0.850 1 1 710 . 5 1 1 A 72 72 ALA CB C 72 19.200 18.366 0.834 1 1 711 . 5 1 1 A 72 72 ALA N N 72 122.900 121.769 1.131 1 1 712 . 5 1 1 A 73 73 PHE H H 73 7.940 7.852 0.088 1 1 713 . 5 1 1 A 73 73 PHE HA H 73 4.510 4.214 0.296 1 1 717 . 5 1 1 A 73 73 PHE C C 73 175.600 174.781 0.819 1 1 718 . 5 1 1 A 73 73 PHE CA C 73 57.800 61.018 -3.218 1 1 719 . 5 1 1 A 73 73 PHE CB C 73 39.100 39.742 -0.642 1 1 720 . 5 1 1 A 73 73 PHE N N 73 118.200 119.234 -1.034 1 1 721 . 5 1 1 A 74 74 LEU H H 74 7.890 7.369 0.521 1 1 722 . 5 1 1 A 74 74 LEU CA C 74 55.200 53.540 1.660 1 1 723 . 5 1 1 A 74 74 LEU CB C 74 42.400 46.732 -4.332 1 1 724 . 5 1 1 A 74 74 LEU N N 74 122.600 117.707 4.893 1 1 725 . 5 1 1 A 78 78 GLU C C 78 176.600 176.255 0.345 1 1 726 . 5 1 1 A 78 78 GLU CA C 78 57.500 57.776 -0.276 1 1 727 . 5 1 1 A 78 78 GLU CB C 78 30.100 32.302 -2.202 1 1 728 . 5 1 1 A 79 79 ALA H H 79 8.460 8.612 -0.152 1 1 729 . 5 1 1 A 79 79 ALA C C 79 178.300 177.104 1.196 1 1 730 . 5 1 1 A 79 79 ALA CA C 79 52.900 53.415 -0.515 1 1 731 . 5 1 1 A 79 79 ALA CB C 79 19.200 17.530 1.670 1 1 732 . 5 1 1 A 79 79 ALA N N 79 124.700 120.990 3.710 1 1 733 . 5 1 1 A 80 80 GLY H H 80 8.330 8.055 0.275 1 1 734 . 5 1 1 A 80 80 GLY C C 80 174.100 175.030 -0.930 1 1 735 . 5 1 1 A 80 80 GLY CA C 80 45.100 46.631 -1.531 1 1 736 . 5 1 1 A 80 80 GLY N N 80 108.200 105.485 2.715 1 1 737 . 5 1 1 A 81 81 ALA H H 81 8.140 8.414 -0.274 1 1 738 . 5 1 1 A 81 81 ALA HA H 81 4.170 4.352 -0.182 1 1 739 . 5 1 1 A 81 81 ALA C C 81 178.400 178.289 0.111 1 1 740 . 5 1 1 A 81 81 ALA CA C 81 52.800 52.600 0.200 1 1 741 . 5 1 1 A 81 81 ALA CB C 81 19.200 20.324 -1.124 1 1 742 . 5 1 1 A 81 81 ALA N N 81 123.600 123.501 0.099 1 1 743 . 5 1 1 A 82 82 GLY H H 82 8.400 8.672 -0.272 1 1 744 . 5 1 1 A 82 82 GLY HA2 H 82 3.860 3.861 -0.001 1 1 745 . 5 1 1 A 82 82 GLY HA3 H 82 2.880 3.862 -0.982 1 1 746 . 5 1 1 A 82 82 GLY C C 82 173.600 173.390 0.210 1 1 747 . 5 1 1 A 82 82 GLY CA C 82 45.200 45.950 -0.750 1 1 748 . 5 1 1 A 82 82 GLY N N 82 108.000 108.222 -0.222 1 1 749 . 5 1 1 A 83 83 ALA H H 83 7.980 7.473 0.507 1 1 750 . 5 1 1 A 83 83 ALA HA H 83 4.280 4.539 -0.259 1 1 754 . 5 1 1 A 83 83 ALA C C 83 177.200 175.271 1.929 1 1 755 . 5 1 1 A 83 83 ALA CA C 83 52.100 51.368 0.732 1 1 756 . 5 1 1 A 83 83 ALA CB C 83 19.500 21.088 -1.588 1 1 757 . 5 1 1 A 83 83 ALA N N 83 123.300 120.100 3.200 1 1 758 . 5 1 1 A 84 84 ARG H H 84 8.240 8.398 -0.158 1 1 759 . 5 1 1 A 84 84 ARG HA H 84 4.610 4.831 -0.221 1 1 762 . 5 1 1 A 84 84 ARG CA C 84 54.000 52.384 1.616 1 1 763 . 5 1 1 A 84 84 ARG CB C 84 30.500 30.921 -0.421 1 1 764 . 5 1 1 A 84 84 ARG N N 84 121.700 119.412 2.288 1 1 765 . 5 1 1 A 85 85 PRO HA H 85 4.390 4.393 -0.003 1 1 770 . 5 1 1 A 85 85 PRO C C 85 177.000 177.196 -0.196 1 1 771 . 5 1 1 A 85 85 PRO CA C 85 62.900 63.308 -0.408 1 1 772 . 5 1 1 A 85 85 PRO CB C 85 32.200 32.292 -0.092 1 1 773 . 5 1 1 A 86 86 ALA H H 86 8.600 8.563 0.037 1 1 774 . 5 1 1 A 86 86 ALA HA H 86 4.150 3.840 0.310 1 1 778 . 5 1 1 A 86 86 ALA C C 86 177.800 177.237 0.563 1 1 779 . 5 1 1 A 86 86 ALA CA C 86 53.400 52.989 0.411 1 1 780 . 5 1 1 A 86 86 ALA CB C 86 18.900 17.240 1.660 1 1 781 . 5 1 1 A 86 86 ALA N N 86 124.900 120.501 4.399 1 1 782 . 5 1 1 A 87 87 ASN H H 87 8.380 8.297 0.083 1 1 783 . 5 1 1 A 87 87 ASN HA H 87 4.590 4.928 -0.338 1 1 786 . 5 1 1 A 87 87 ASN C C 87 174.400 174.832 -0.432 1 1 787 . 5 1 1 A 87 87 ASN CA C 87 52.600 53.139 -0.539 1 1 788 . 5 1 1 A 87 87 ASN CB C 87 38.300 39.875 -1.575 1 1 789 . 5 1 1 A 87 87 ASN N N 87 114.900 113.174 1.726 1 1 790 . 5 1 1 A 88 88 ALA H H 88 7.800 7.468 0.332 1 1 791 . 5 1 1 A 88 88 ALA HA H 88 4.400 4.419 -0.019 1 1 795 . 5 1 1 A 88 88 ALA CA C 88 50.400 50.828 -0.428 1 1 796 . 5 1 1 A 88 88 ALA CB C 88 17.900 18.204 -0.304 1 1 797 . 5 1 1 A 88 88 ALA N N 88 123.600 123.587 0.013 1 1 798 . 5 1 1 A 89 89 PRO HA H 89 4.390 4.486 -0.096 1 1 805 . 5 1 1 A 89 89 PRO C C 89 175.000 177.820 -2.820 1 1 806 . 5 1 1 A 89 89 PRO CA C 89 62.400 63.266 -0.866 1 1 807 . 5 1 1 A 89 89 PRO CB C 89 31.700 31.786 -0.086 1 1 810 . 5 1 1 A 90 90 GLU H H 90 9.000 8.764 0.236 1 1 811 . 5 1 1 A 90 90 GLU HA H 90 4.310 4.200 0.110 1 1 814 . 5 1 1 A 90 90 GLU C C 90 177.300 176.382 0.918 1 1 815 . 5 1 1 A 90 90 GLU CA C 90 58.000 59.811 -1.811 1 1 816 . 5 1 1 A 90 90 GLU CB C 90 31.400 31.071 0.329 1 1 817 . 5 1 1 A 90 90 GLU N N 90 117.700 121.613 -3.913 1 1 818 . 5 1 1 A 91 91 VAL H H 91 7.310 7.442 -0.132 1 1 819 . 5 1 1 A 91 91 VAL HA H 91 4.570 4.734 -0.164 1 1 827 . 5 1 1 A 91 91 VAL C C 91 171.000 173.190 -2.190 1 1 828 . 5 1 1 A 91 91 VAL CA C 91 59.700 60.005 -0.305 1 1 829 . 5 1 1 A 91 91 VAL CB C 91 35.600 35.283 0.317 1 1 832 . 5 1 1 A 91 91 VAL N N 91 115.900 116.765 -0.865 1 1 833 . 5 1 1 A 92 92 LEU H H 92 8.700 9.537 -0.837 1 1 834 . 5 1 1 A 92 92 LEU HA H 92 4.950 5.160 -0.210 1 1 844 . 5 1 1 A 92 92 LEU C C 92 174.300 174.719 -0.419 1 1 845 . 5 1 1 A 92 92 LEU CA C 92 52.700 53.431 -0.731 1 1 846 . 5 1 1 A 92 92 LEU CB C 92 44.100 44.439 -0.339 1 1 850 . 5 1 1 A 92 92 LEU N N 92 128.500 130.360 -1.860 1 1 851 . 5 1 1 A 93 93 LEU H H 93 8.770 9.650 -0.880 1 1 852 . 5 1 1 A 93 93 LEU HA H 93 4.910 4.871 0.039 1 1 862 . 5 1 1 A 93 93 LEU C C 93 174.900 175.602 -0.702 1 1 863 . 5 1 1 A 93 93 LEU CA C 93 52.600 53.783 -1.183 1 1 864 . 5 1 1 A 93 93 LEU CB C 93 44.300 41.669 2.631 1 1 868 . 5 1 1 A 93 93 LEU N N 93 127.300 129.224 -1.924 1 1 869 . 5 1 1 A 94 94 VAL H H 94 8.800 9.082 -0.282 1 1 870 . 5 1 1 A 94 94 VAL HA H 94 4.880 4.491 0.389 1 1 878 . 5 1 1 A 94 94 VAL C C 94 175.000 175.395 -0.395 1 1 879 . 5 1 1 A 94 94 VAL CA C 94 60.000 61.486 -1.486 1 1 880 . 5 1 1 A 94 94 VAL CB C 94 33.900 31.532 2.368 1 1 883 . 5 1 1 A 94 94 VAL N N 94 122.000 125.820 -3.820 1 1 884 . 5 1 1 A 95 95 GLY H H 95 9.730 9.334 0.396 1 1 885 . 5 1 1 A 95 95 GLY HA2 H 95 3.240 4.027 -0.787 1 1 886 . 5 1 1 A 95 95 GLY HA3 H 95 4.940 4.042 0.898 1 1 887 . 5 1 1 A 95 95 GLY C C 95 175.000 175.402 -0.402 1 1 888 . 5 1 1 A 95 95 GLY CA C 95 45.500 45.715 -0.215 1 1 889 . 5 1 1 A 95 95 GLY N N 95 114.000 115.756 -1.756 1 1 890 . 5 1 1 A 96 96 THR H H 96 9.320 8.431 0.889 1 1 891 . 5 1 1 A 96 96 THR HA H 96 4.210 4.215 -0.005 1 1 896 . 5 1 1 A 96 96 THR C C 96 173.000 175.477 -2.477 1 1 897 . 5 1 1 A 96 96 THR CA C 96 61.800 63.581 -1.781 1 1 898 . 5 1 1 A 96 96 THR CB C 96 67.600 70.350 -2.750 1 1 900 . 5 1 1 A 96 96 THR N N 96 113.800 118.119 -4.319 1 1 901 . 5 1 1 A 97 97 GLY H H 97 8.600 8.137 0.463 1 1 902 . 5 1 1 A 97 97 GLY HA2 H 97 3.580 3.913 -0.333 1 1 903 . 5 1 1 A 97 97 GLY HA3 H 97 4.500 3.922 0.578 1 1 904 . 5 1 1 A 97 97 GLY C C 97 174.800 175.345 -0.545 1 1 905 . 5 1 1 A 97 97 GLY CA C 97 44.000 47.401 -3.401 1 1 906 . 5 1 1 A 97 97 GLY N N 97 110.900 110.505 0.395 1 1 907 . 5 1 1 A 98 98 ARG H H 98 9.400 8.546 0.854 1 1 908 . 5 1 1 A 98 98 ARG HA H 98 4.110 4.142 -0.032 1 1 911 . 5 1 1 A 98 98 ARG C C 98 175.700 176.629 -0.929 1 1 912 . 5 1 1 A 98 98 ARG CA C 98 58.800 58.765 0.035 1 1 913 . 5 1 1 A 98 98 ARG CB C 98 30.700 30.698 0.002 1 1 914 . 5 1 1 A 98 98 ARG N N 98 125.500 126.267 -0.767 1 1 915 . 5 1 1 A 99 99 ARG H H 99 8.180 7.934 0.246 1 1 916 . 5 1 1 A 99 99 ARG HA H 99 4.640 4.695 -0.055 1 1 919 . 5 1 1 A 99 99 ARG C C 99 175.000 174.806 0.194 1 1 920 . 5 1 1 A 99 99 ARG CA C 99 53.100 54.716 -1.616 1 1 921 . 5 1 1 A 99 99 ARG CB C 99 33.200 33.722 -0.522 1 1 922 . 5 1 1 A 99 99 ARG N N 99 114.300 117.381 -3.081 1 1 923 . 5 1 1 A 100 100 GLN H H 100 8.710 8.552 0.158 1 1 924 . 5 1 1 A 100 100 GLN HA H 100 3.620 5.004 -1.384 1 1 929 . 5 1 1 A 100 100 GLN C C 100 173.900 174.912 -1.012 1 1 930 . 5 1 1 A 100 100 GLN CA C 100 56.400 56.119 0.281 1 1 931 . 5 1 1 A 100 100 GLN CB C 100 29.600 29.080 0.520 1 1 933 . 5 1 1 A 100 100 GLN N N 100 121.700 123.990 -2.290 1 1 934 . 5 1 1 A 101 101 HIS H H 101 7.900 9.162 -1.262 1 1 935 . 5 1 1 A 101 101 HIS HA H 101 4.530 5.192 -0.662 1 1 939 . 5 1 1 A 101 101 HIS C C 101 173.100 174.066 -0.966 1 1 940 . 5 1 1 A 101 101 HIS CA C 101 55.100 54.219 0.881 1 1 941 . 5 1 1 A 101 101 HIS CB C 101 32.100 32.926 -0.826 1 1 942 . 5 1 1 A 101 101 HIS N N 101 130.600 125.439 5.161 1 1 943 . 5 1 1 A 102 102 LEU H H 102 8.080 8.827 -0.747 1 1 944 . 5 1 1 A 102 102 LEU HA H 102 4.060 4.872 -0.812 1 1 948 . 5 1 1 A 102 102 LEU C C 102 177.200 175.805 1.395 1 1 949 . 5 1 1 A 102 102 LEU CA C 102 54.900 53.953 0.947 1 1 950 . 5 1 1 A 102 102 LEU CB C 102 41.600 44.092 -2.492 1 1 951 . 5 1 1 A 102 102 LEU N N 102 121.400 124.483 -3.083 1 1 952 . 5 1 1 A 103 103 LEU H H 103 8.260 8.811 -0.551 1 1 953 . 5 1 1 A 103 103 LEU HA H 103 4.490 4.455 0.035 1 1 963 . 5 1 1 A 103 103 LEU C C 103 177.100 177.178 -0.078 1 1 964 . 5 1 1 A 103 103 LEU CA C 103 53.400 54.760 -1.360 1 1 965 . 5 1 1 A 103 103 LEU CB C 103 42.600 42.349 0.251 1 1 969 . 5 1 1 A 103 103 LEU N N 103 123.000 128.300 -5.300 1 1 970 . 5 1 1 A 104 104 GLY H H 104 8.820 8.436 0.384 1 1 971 . 5 1 1 A 104 104 GLY HA2 H 104 3.930 4.253 -0.323 1 1 972 . 5 1 1 A 104 104 GLY HA3 H 104 4.440 4.255 0.185 1 1 973 . 5 1 1 A 104 104 GLY CA C 104 44.500 43.805 0.695 1 1 974 . 5 1 1 A 104 104 GLY N N 104 110.200 107.849 2.351 1 1 975 . 5 1 1 A 105 105 PRO HA H 105 4.230 4.226 0.004 1 1 978 . 5 1 1 A 105 105 PRO C C 105 178.900 178.549 0.351 1 1 979 . 5 1 1 A 105 105 PRO CA C 105 65.200 65.001 0.199 1 1 980 . 5 1 1 A 105 105 PRO CB C 105 31.900 31.910 -0.010 1 1 981 . 5 1 1 A 106 106 GLU H H 106 9.150 8.502 0.648 1 1 982 . 5 1 1 A 106 106 GLU HA H 106 4.080 4.071 0.009 1 1 987 . 5 1 1 A 106 106 GLU C C 106 178.500 178.890 -0.390 1 1 988 . 5 1 1 A 106 106 GLU CA C 106 58.600 59.538 -0.938 1 1 989 . 5 1 1 A 106 106 GLU CB C 106 28.500 29.168 -0.668 1 1 991 . 5 1 1 A 106 106 GLU N N 106 115.400 117.338 -1.938 1 1 992 . 5 1 1 A 107 107 GLN H H 107 7.680 8.031 -0.351 1 1 993 . 5 1 1 A 107 107 GLN HA H 107 4.160 4.224 -0.064 1 1 998 . 5 1 1 A 107 107 GLN C C 107 175.200 177.205 -2.005 1 1 999 . 5 1 1 A 107 107 GLN CA C 107 58.500 57.808 0.692 1 1 1000 . 5 1 1 A 107 107 GLN CB C 107 29.400 28.850 0.550 1 1 1002 . 5 1 1 A 107 107 GLN N N 107 116.100 117.155 -1.055 1 1 1003 . 5 1 1 A 108 108 VAL H H 108 7.080 7.458 -0.378 1 1 1004 . 5 1 1 A 108 108 VAL HA H 108 4.270 3.952 0.318 1 1 1012 . 5 1 1 A 108 108 VAL C C 108 177.500 177.708 -0.208 1 1 1013 . 5 1 1 A 108 108 VAL CA C 108 62.000 64.860 -2.860 1 1 1014 . 5 1 1 A 108 108 VAL CB C 108 33.000 31.947 1.053 1 1 1017 . 5 1 1 A 108 108 VAL N N 108 104.800 116.586 -11.786 1 1 1018 . 5 1 1 A 109 109 ARG H H 109 8.220 7.762 0.458 1 1 1019 . 5 1 1 A 109 109 ARG HA H 109 4.060 4.080 -0.020 1 1 1024 . 5 1 1 A 109 109 ARG CA C 109 61.700 61.127 0.573 1 1 1025 . 5 1 1 A 109 109 ARG CB C 109 27.600 28.922 -1.322 1 1 1027 . 5 1 1 A 109 109 ARG N N 109 123.100 122.636 0.464 1 1 1028 . 5 1 1 A 110 110 PRO HA H 110 4.290 4.371 -0.081 1 1 1035 . 5 1 1 A 110 110 PRO C C 110 173.000 179.028 -6.028 1 1 1036 . 5 1 1 A 110 110 PRO CA C 110 65.800 65.520 0.280 1 1 1037 . 5 1 1 A 110 110 PRO CB C 110 31.400 30.814 0.586 1 1 1040 . 5 1 1 A 111 111 LEU H H 111 7.080 7.340 -0.260 1 1 1041 . 5 1 1 A 111 111 LEU HA H 111 4.050 4.062 -0.012 1 1 1051 . 5 1 1 A 111 111 LEU C C 111 178.800 178.974 -0.174 1 1 1052 . 5 1 1 A 111 111 LEU CA C 111 57.400 57.464 -0.064 1 1 1053 . 5 1 1 A 111 111 LEU CB C 111 40.100 41.568 -1.468 1 1 1056 . 5 1 1 A 111 111 LEU N N 111 117.700 117.361 0.339 1 1 1057 . 5 1 1 A 112 112 LEU H H 112 7.950 8.249 -0.299 1 1 1058 . 5 1 1 A 112 112 LEU HA H 112 4.050 4.024 0.026 1 1 1068 . 5 1 1 A 112 112 LEU C C 112 169.000 178.156 -9.156 1 1 1069 . 5 1 1 A 112 112 LEU CA C 112 58.000 57.731 0.269 1 1 1070 . 5 1 1 A 112 112 LEU CB C 112 41.100 40.307 0.793 1 1 1074 . 5 1 1 A 112 112 LEU N N 112 121.700 119.618 2.082 1 1 1075 . 5 1 1 A 113 113 ALA H H 113 8.230 7.948 0.282 1 1 1076 . 5 1 1 A 113 113 ALA HA H 113 4.110 4.208 -0.098 1 1 1080 . 5 1 1 A 113 113 ALA C C 113 178.700 178.565 0.135 1 1 1081 . 5 1 1 A 113 113 ALA CA C 113 54.400 53.748 0.652 1 1 1082 . 5 1 1 A 113 113 ALA CB C 113 18.100 18.308 -0.208 1 1 1083 . 5 1 1 A 113 113 ALA N N 113 120.900 121.471 -0.571 1 1 1084 . 5 1 1 A 114 114 MET H H 114 7.270 7.508 -0.238 1 1 1085 . 5 1 1 A 114 114 MET HA H 114 4.490 4.441 0.049 1 1 1093 . 5 1 1 A 114 114 MET C C 114 175.100 176.125 -1.025 1 1 1094 . 5 1 1 A 114 114 MET CA C 114 55.100 56.391 -1.291 1 1 1095 . 5 1 1 A 114 114 MET CB C 114 33.700 33.667 0.033 1 1 1098 . 5 1 1 A 114 114 MET N N 114 115.100 115.332 -0.232 1 1 1099 . 5 1 1 A 115 115 GLY H H 115 7.830 8.049 -0.219 1 1 1100 . 5 1 1 A 115 115 GLY HA2 H 115 3.660 4.065 -0.405 1 1 1101 . 5 1 1 A 115 115 GLY HA3 H 115 4.060 4.065 -0.005 1 1 1102 . 5 1 1 A 115 115 GLY C C 115 173.700 174.186 -0.486 1 1 1103 . 5 1 1 A 115 115 GLY CA C 115 45.600 44.888 0.712 1 1 1104 . 5 1 1 A 115 115 GLY N N 115 106.300 106.459 -0.159 1 1 1105 . 5 1 1 A 116 116 VAL H H 116 7.710 8.100 -0.390 1 1 1106 . 5 1 1 A 116 116 VAL HA H 116 3.820 4.498 -0.678 1 1 1114 . 5 1 1 A 116 116 VAL C C 116 174.800 175.523 -0.723 1 1 1115 . 5 1 1 A 116 116 VAL CA C 116 61.200 61.747 -0.547 1 1 1116 . 5 1 1 A 116 116 VAL CB C 116 32.800 32.849 -0.049 1 1 1119 . 5 1 1 A 116 116 VAL N N 116 123.600 122.168 1.432 1 1 1120 . 5 1 1 A 117 117 GLY H H 117 7.730 9.319 -1.589 1 1 1121 . 5 1 1 A 117 117 GLY HA2 H 117 3.570 4.154 -0.584 1 1 1122 . 5 1 1 A 117 117 GLY HA3 H 117 4.040 4.155 -0.115 1 1 1123 . 5 1 1 A 117 117 GLY C C 117 172.600 173.161 -0.561 1 1 1124 . 5 1 1 A 117 117 GLY CA C 117 45.500 44.684 0.816 1 1 1125 . 5 1 1 A 117 117 GLY N N 117 111.400 115.653 -4.253 1 1 1126 . 5 1 1 A 118 118 VAL H H 118 7.740 9.224 -1.484 1 1 1127 . 5 1 1 A 118 118 VAL HA H 118 5.100 4.407 0.693 1 1 1135 . 5 1 1 A 118 118 VAL C C 118 175.500 175.241 0.259 1 1 1136 . 5 1 1 A 118 118 VAL CA C 118 61.000 62.082 -1.082 1 1 1137 . 5 1 1 A 118 118 VAL CB C 118 34.300 32.250 2.050 1 1 1140 . 5 1 1 A 118 118 VAL N N 118 120.900 125.873 -4.973 1 1 1141 . 5 1 1 A 119 119 GLU H H 119 8.490 9.330 -0.840 1 1 1142 . 5 1 1 A 119 119 GLU HA H 119 4.630 4.875 -0.245 1 1 1147 . 5 1 1 A 119 119 GLU C C 119 173.500 175.244 -1.744 1 1 1148 . 5 1 1 A 119 119 GLU CA C 119 54.600 54.934 -0.334 1 1 1149 . 5 1 1 A 119 119 GLU CB C 119 32.300 32.629 -0.329 1 1 1151 . 5 1 1 A 119 119 GLU N N 119 127.000 127.684 -0.684 1 1 1152 . 5 1 1 A 120 120 ALA H H 120 8.600 8.906 -0.306 1 1 1153 . 5 1 1 A 120 120 ALA HA H 120 5.530 5.244 0.286 1 1 1157 . 5 1 1 A 120 120 ALA C C 120 177.100 176.497 0.603 1 1 1158 . 5 1 1 A 120 120 ALA CA C 120 50.300 50.546 -0.246 1 1 1159 . 5 1 1 A 120 120 ALA CB C 120 20.800 19.831 0.969 1 1 1160 . 5 1 1 A 120 120 ALA N N 120 126.500 126.752 -0.252 1 1 1161 . 5 1 1 A 121 121 MET H H 121 9.430 8.991 0.439 1 1 1162 . 5 1 1 A 121 121 MET HA H 121 4.630 5.147 -0.517 1 1 1170 . 5 1 1 A 121 121 MET C C 121 173.300 173.729 -0.429 1 1 1171 . 5 1 1 A 121 121 MET CA C 121 54.600 54.070 0.530 1 1 1172 . 5 1 1 A 121 121 MET CB C 121 36.800 36.146 0.654 1 1 1175 . 5 1 1 A 121 121 MET N N 121 120.400 123.045 -2.645 1 1 1176 . 5 1 1 A 122 122 ASP H H 122 8.460 8.760 -0.300 1 1 1177 . 5 1 1 A 122 122 ASP HA H 122 4.170 4.562 -0.392 1 1 1180 . 5 1 1 A 122 122 ASP C C 122 175.200 177.353 -2.153 1 1 1181 . 5 1 1 A 122 122 ASP CA C 122 55.000 54.262 0.738 1 1 1182 . 5 1 1 A 122 122 ASP CB C 122 41.000 42.812 -1.812 1 1 1183 . 5 1 1 A 122 122 ASP N N 122 116.700 122.509 -5.809 1 1 1184 . 5 1 1 A 123 123 THR H H 123 9.580 8.819 0.761 1 1 1185 . 5 1 1 A 123 123 THR HA H 123 3.670 3.905 -0.235 1 1 1191 . 5 1 1 A 123 123 THR C C 123 174.400 176.187 -1.787 1 1 1192 . 5 1 1 A 123 123 THR CA C 123 68.700 66.920 1.780 1 1 1193 . 5 1 1 A 123 123 THR CB C 123 68.800 69.064 -0.264 1 1 1195 . 5 1 1 A 123 123 THR N N 123 119.600 119.387 0.213 1 1 1196 . 5 1 1 A 124 124 GLN H H 124 8.580 7.713 0.867 1 1 1197 . 5 1 1 A 124 124 GLN HA H 124 3.240 4.170 -0.930 1 1 1202 . 5 1 1 A 124 124 GLN C C 124 177.700 178.556 -0.856 1 1 1203 . 5 1 1 A 124 124 GLN CA C 124 60.100 58.458 1.642 1 1 1204 . 5 1 1 A 124 124 GLN CB C 124 27.400 28.211 -0.811 1 1 1206 . 5 1 1 A 124 124 GLN N N 124 121.500 118.611 2.889 1 1 1207 . 5 1 1 A 125 125 ALA H H 125 8.210 8.034 0.176 1 1 1208 . 5 1 1 A 125 125 ALA HA H 125 3.960 4.169 -0.209 1 1 1212 . 5 1 1 A 125 125 ALA C C 125 167.800 180.055 -12.255 1 1 1213 . 5 1 1 A 125 125 ALA CA C 125 54.800 55.067 -0.267 1 1 1214 . 5 1 1 A 125 125 ALA CB C 125 18.700 17.945 0.755 1 1 1215 . 5 1 1 A 125 125 ALA N N 125 122.600 123.020 -0.420 1 1 1216 . 5 1 1 A 126 126 ALA H H 126 8.900 8.613 0.287 1 1 1217 . 5 1 1 A 126 126 ALA HA H 126 4.110 4.079 0.031 1 1 1221 . 5 1 1 A 126 126 ALA C C 126 178.500 179.193 -0.693 1 1 1222 . 5 1 1 A 126 126 ALA CA C 126 55.300 54.941 0.359 1 1 1223 . 5 1 1 A 126 126 ALA CB C 126 18.100 18.892 -0.792 1 1 1224 . 5 1 1 A 126 126 ALA N N 126 124.600 119.594 5.006 1 1 1225 . 5 1 1 A 127 127 ALA H H 127 8.440 7.928 0.512 1 1 1226 . 5 1 1 A 127 127 ALA HA H 127 3.850 4.069 -0.219 1 1 1230 . 5 1 1 A 127 127 ALA C C 127 178.400 179.265 -0.865 1 1 1231 . 5 1 1 A 127 127 ALA CA C 127 55.500 55.260 0.240 1 1 1232 . 5 1 1 A 127 127 ALA CB C 127 18.500 18.470 0.030 1 1 1233 . 5 1 1 A 127 127 ALA N N 127 120.200 119.879 0.321 1 1 1234 . 5 1 1 A 128 128 ARG H H 128 7.790 8.122 -0.332 1 1 1235 . 5 1 1 A 128 128 ARG HA H 128 4.020 4.120 -0.100 1 1 1240 . 5 1 1 A 128 128 ARG C C 128 179.400 179.039 0.361 1 1 1241 . 5 1 1 A 128 128 ARG CA C 128 59.600 59.577 0.023 1 1 1242 . 5 1 1 A 128 128 ARG CB C 128 30.800 29.785 1.015 1 1 1244 . 5 1 1 A 128 128 ARG N N 128 115.900 119.518 -3.618 1 1 1245 . 5 1 1 A 129 129 THR H H 129 8.440 8.327 0.113 1 1 1246 . 5 1 1 A 129 129 THR HA H 129 3.770 3.983 -0.213 1 1 1251 . 5 1 1 A 129 129 THR C C 129 175.300 176.210 -0.910 1 1 1252 . 5 1 1 A 129 129 THR CA C 129 67.300 66.319 0.981 1 1 1253 . 5 1 1 A 129 129 THR CB C 129 68.300 68.584 -0.284 1 1 1255 . 5 1 1 A 129 129 THR N N 129 116.400 115.167 1.233 1 1 1256 . 5 1 1 A 130 130 TYR H H 130 8.790 8.428 0.362 1 1 1257 . 5 1 1 A 130 130 TYR HA H 130 3.600 4.140 -0.540 1 1 1262 . 5 1 1 A 130 130 TYR C C 130 175.500 177.729 -2.229 1 1 1263 . 5 1 1 A 130 130 TYR CA C 130 62.600 62.115 0.485 1 1 1264 . 5 1 1 A 130 130 TYR CB C 130 37.500 38.511 -1.011 1 1 1265 . 5 1 1 A 130 130 TYR N N 130 123.500 122.535 0.965 1 1 1266 . 5 1 1 A 131 131 ASN H H 131 7.800 7.838 -0.038 1 1 1267 . 5 1 1 A 131 131 ASN HA H 131 4.220 4.190 0.030 1 1 1270 . 5 1 1 A 131 131 ASN C C 131 179.200 178.097 1.103 1 1 1271 . 5 1 1 A 131 131 ASN CA C 131 55.500 56.040 -0.540 1 1 1272 . 5 1 1 A 131 131 ASN CB C 131 37.100 37.746 -0.646 1 1 1273 . 5 1 1 A 131 131 ASN N N 131 117.700 118.731 -1.031 1 1 1274 . 5 1 1 A 132 132 ILE H H 132 7.520 7.629 -0.109 1 1 1275 . 5 1 1 A 132 132 ILE HA H 132 3.710 3.630 0.080 1 1 1285 . 5 1 1 A 132 132 ILE C C 132 178.100 178.276 -0.176 1 1 1286 . 5 1 1 A 132 132 ILE CA C 132 64.900 65.340 -0.440 1 1 1287 . 5 1 1 A 132 132 ILE CB C 132 38.500 37.971 0.529 1 1 1291 . 5 1 1 A 132 132 ILE N N 132 121.000 120.137 0.863 1 1 1292 . 5 1 1 A 133 133 LEU H H 133 8.420 8.520 -0.100 1 1 1293 . 5 1 1 A 133 133 LEU HA H 133 3.910 4.026 -0.116 1 1 1303 . 5 1 1 A 133 133 LEU C C 133 179.600 179.475 0.125 1 1 1304 . 5 1 1 A 133 133 LEU CA C 133 57.900 57.491 0.409 1 1 1305 . 5 1 1 A 133 133 LEU CB C 133 41.700 41.157 0.543 1 1 1309 . 5 1 1 A 133 133 LEU N N 133 120.500 118.770 1.730 1 1 1310 . 5 1 1 A 134 134 MET H H 134 8.990 7.963 1.027 1 1 1311 . 5 1 1 A 134 134 MET HA H 134 3.870 4.095 -0.225 1 1 1319 . 5 1 1 A 134 134 MET C C 134 167.400 177.996 -10.596 1 1 1320 . 5 1 1 A 134 134 MET CA C 134 58.400 58.360 0.040 1 1 1321 . 5 1 1 A 134 134 MET CB C 134 30.700 32.110 -1.410 1 1 1324 . 5 1 1 A 134 134 MET N N 134 119.900 119.033 0.867 1 1 1325 . 5 1 1 A 135 135 ALA H H 135 7.490 7.643 -0.153 1 1 1326 . 5 1 1 A 135 135 ALA HA H 135 4.060 4.014 0.046 1 1 1330 . 5 1 1 A 135 135 ALA C C 135 179.100 180.320 -1.220 1 1 1331 . 5 1 1 A 135 135 ALA CA C 135 54.700 54.610 0.090 1 1 1332 . 5 1 1 A 135 135 ALA CB C 135 18.000 18.310 -0.310 1 1 1333 . 5 1 1 A 135 135 ALA N N 135 124.600 121.460 3.140 1 1 1334 . 5 1 1 A 136 136 GLU H H 136 7.540 7.554 -0.014 1 1 1335 . 5 1 1 A 136 136 GLU HA H 136 4.230 4.416 -0.186 1 1 1340 . 5 1 1 A 136 136 GLU C C 136 176.900 176.751 0.149 1 1 1341 . 5 1 1 A 136 136 GLU CA C 136 56.400 57.150 -0.750 1 1 1342 . 5 1 1 A 136 136 GLU CB C 136 30.300 30.307 -0.007 1 1 1344 . 5 1 1 A 136 136 GLU N N 136 116.500 117.893 -1.393 1 1 1345 . 5 1 1 A 137 137 GLY H H 137 7.870 7.867 0.003 1 1 1346 . 5 1 1 A 137 137 GLY HA2 H 137 3.760 3.932 -0.172 1 1 1347 . 5 1 1 A 137 137 GLY HA3 H 137 4.140 3.937 0.203 1 1 1348 . 5 1 1 A 137 137 GLY C C 137 175.100 174.454 0.646 1 1 1349 . 5 1 1 A 137 137 GLY CA C 137 45.600 46.392 -0.792 1 1 1350 . 5 1 1 A 137 137 GLY N N 137 107.100 108.956 -1.856 1 1 1351 . 5 1 1 A 138 138 ARG H H 138 7.580 7.765 -0.185 1 1 1352 . 5 1 1 A 138 138 ARG HA H 138 4.270 4.576 -0.306 1 1 1357 . 5 1 1 A 138 138 ARG C C 138 176.900 175.438 1.462 1 1 1358 . 5 1 1 A 138 138 ARG CA C 138 54.500 54.559 -0.059 1 1 1359 . 5 1 1 A 138 138 ARG CB C 138 30.100 32.204 -2.104 1 1 1361 . 5 1 1 A 138 138 ARG N N 138 118.100 121.095 -2.995 1 1 1362 . 5 1 1 A 139 139 ARG H H 139 9.240 8.395 0.845 1 1 1363 . 5 1 1 A 139 139 ARG HA H 139 4.470 4.504 -0.034 1 1 1370 . 5 1 1 A 139 139 ARG C C 139 174.400 175.081 -0.681 1 1 1371 . 5 1 1 A 139 139 ARG CA C 139 55.700 55.993 -0.293 1 1 1372 . 5 1 1 A 139 139 ARG CB C 139 28.000 29.604 -1.604 1 1 1375 . 5 1 1 A 139 139 ARG N N 139 124.400 124.926 -0.526 1 1 1376 . 5 1 1 A 140 140 VAL H H 140 7.250 8.411 -1.161 1 1 1377 . 5 1 1 A 140 140 VAL HA H 140 5.180 5.240 -0.060 1 1 1385 . 5 1 1 A 140 140 VAL C C 140 172.800 173.875 -1.075 1 1 1386 . 5 1 1 A 140 140 VAL CA C 140 57.700 60.025 -2.325 1 1 1387 . 5 1 1 A 140 140 VAL CB C 140 34.700 34.954 -0.254 1 1 1390 . 5 1 1 A 140 140 VAL N N 140 121.900 123.969 -2.069 1 1 1391 . 5 1 1 A 141 141 VAL H H 141 8.180 8.939 -0.759 1 1 1392 . 5 1 1 A 141 141 VAL HA H 141 4.510 4.814 -0.304 1 1 1400 . 5 1 1 A 141 141 VAL C C 141 172.600 173.736 -1.136 1 1 1401 . 5 1 1 A 141 141 VAL CA C 141 60.300 60.626 -0.326 1 1 1402 . 5 1 1 A 141 141 VAL CB C 141 35.600 34.277 1.323 1 1 1405 . 5 1 1 A 141 141 VAL N N 141 123.900 128.030 -4.130 1 1 1406 . 5 1 1 A 142 142 VAL H H 142 8.430 8.548 -0.118 1 1 1407 . 5 1 1 A 142 142 VAL HA H 142 5.220 4.651 0.569 1 1 1415 . 5 1 1 A 142 142 VAL C C 142 170.000 173.237 -3.237 1 1 1416 . 5 1 1 A 142 142 VAL CA C 142 57.600 59.161 -1.561 1 1 1417 . 5 1 1 A 142 142 VAL CB C 142 35.500 33.443 2.057 1 1 1420 . 5 1 1 A 142 142 VAL N N 142 124.600 128.158 -3.558 1 1 1421 . 5 1 1 A 143 143 ALA H H 143 8.220 9.091 -0.871 1 1 1422 . 5 1 1 A 143 143 ALA HA H 143 4.680 5.162 -0.482 1 1 1426 . 5 1 1 A 143 143 ALA C C 143 175.400 175.502 -0.102 1 1 1427 . 5 1 1 A 143 143 ALA CA C 143 49.900 50.313 -0.413 1 1 1428 . 5 1 1 A 143 143 ALA CB C 143 19.600 20.904 -1.304 1 1 1429 . 5 1 1 A 143 143 ALA N N 143 129.100 130.291 -1.191 1 1 1430 . 5 1 1 A 144 144 LEU H H 144 9.070 9.195 -0.125 1 1 1431 . 5 1 1 A 144 144 LEU HA H 144 4.840 5.165 -0.325 1 1 1441 . 5 1 1 A 144 144 LEU CA C 144 53.400 53.421 -0.021 1 1 1442 . 5 1 1 A 144 144 LEU CB C 144 46.500 43.688 2.812 1 1 1445 . 5 1 1 A 144 144 LEU N N 144 119.600 123.964 -4.364 1 1 1446 . 5 1 1 A 145 145 LEU HA H 145 4.830 4.977 -0.147 1 1 1456 . 5 1 1 A 145 145 LEU CA C 145 51.800 51.350 0.450 1 1 1457 . 5 1 1 A 145 145 LEU CB C 145 41.700 42.518 -0.818 1 1 1461 . 5 1 1 A 146 146 PRO HA H 146 4.330 4.969 -0.639 1 1 1466 . 5 1 1 A 146 146 PRO C C 146 175.700 176.144 -0.444 1 1 1467 . 5 1 1 A 146 146 PRO CA C 146 62.800 62.351 0.449 1 1 1468 . 5 1 1 A 146 146 PRO CB C 146 31.500 33.011 -1.511 1 1 1470 . 5 1 1 A 147 147 ASP H H 147 8.660 8.628 0.032 1 1 1471 . 5 1 1 A 147 147 ASP HA H 147 4.510 4.969 -0.459 1 1 1474 . 5 1 1 A 147 147 ASP C C 147 176.300 176.323 -0.023 1 1 1475 . 5 1 1 A 147 147 ASP CA C 147 54.300 52.583 1.717 1 1 1476 . 5 1 1 A 147 147 ASP CB C 147 42.100 42.914 -0.814 1 1 1477 . 5 1 1 A 147 147 ASP N N 147 120.700 121.280 -0.580 1 1 1478 . 5 1 1 A 148 148 GLY H H 148 8.310 8.356 -0.046 1 1 1479 . 5 1 1 A 148 148 GLY HA2 H 148 4.020 4.091 -0.071 1 1 1480 . 5 1 1 A 148 148 GLY HA3 H 148 4.050 4.094 -0.044 1 1 1481 . 5 1 1 A 148 148 GLY C C 148 173.600 175.412 -1.812 1 1 1482 . 5 1 1 A 148 148 GLY CA C 148 45.200 45.585 -0.385 1 1 1483 . 5 1 1 A 148 148 GLY N N 148 109.400 110.097 -0.697 1 1 1484 . 5 1 1 A 149 149 ASP H H 149 8.550 7.982 0.568 1 1 1485 . 5 1 1 A 149 149 ASP HA H 149 4.650 4.823 -0.173 1 1 1488 . 5 1 1 A 149 149 ASP C C 149 176.700 178.104 -1.404 1 1 1489 . 5 1 1 A 149 149 ASP CA C 149 54.500 55.288 -0.788 1 1 1490 . 5 1 1 A 149 149 ASP CB C 149 41.600 41.728 -0.128 1 1 1491 . 5 1 1 A 149 149 ASP N N 149 120.800 120.596 0.204 1 1 1492 . 5 1 1 A 150 150 SER H H 150 8.600 8.317 0.283 1 1 1493 . 5 1 1 A 150 150 SER HA H 150 4.350 4.365 -0.015 1 1 1496 . 5 1 1 A 150 150 SER C C 150 175.000 174.974 0.026 1 1 1497 . 5 1 1 A 150 150 SER CA C 150 58.900 61.853 -2.953 1 1 1498 . 5 1 1 A 150 150 SER CB C 150 63.500 63.213 0.287 1 1 1499 . 5 1 1 A 150 150 SER N N 150 116.400 114.247 2.153 1 1 1500 . 5 1 1 A 151 151 LEU H H 151 8.290 7.849 0.441 1 1 1501 . 5 1 1 A 151 151 LEU CA C 151 55.500 54.370 1.130 1 1 1502 . 5 1 1 A 151 151 LEU CB C 151 41.900 40.555 1.345 1 1 5 . 6 1 1 A 4 4 HIS C C 4 174.800 175.619 -0.819 1 1 6 . 6 1 1 A 4 4 HIS CA C 4 55.900 57.513 -1.613 1 1 7 . 6 1 1 A 4 4 HIS CB C 4 30.000 31.097 -1.097 1 1 8 . 6 1 1 A 5 5 THR H H 5 7.990 7.912 0.078 1 1 9 . 6 1 1 A 5 5 THR C C 5 173.800 173.987 -0.187 1 1 10 . 6 1 1 A 5 5 THR CA C 5 61.500 61.137 0.363 1 1 11 . 6 1 1 A 5 5 THR CB C 5 69.900 69.834 0.066 1 1 12 . 6 1 1 A 5 5 THR N N 5 115.300 110.301 4.999 1 1 13 . 6 1 1 A 6 6 ASP H H 6 8.370 8.409 -0.039 1 1 14 . 6 1 1 A 6 6 ASP HA H 6 4.860 5.215 -0.355 1 1 17 . 6 1 1 A 6 6 ASP CA C 6 52.500 52.680 -0.180 1 1 18 . 6 1 1 A 6 6 ASP CB C 6 41.100 40.234 0.866 1 1 19 . 6 1 1 A 6 6 ASP N N 6 124.400 123.116 1.284 1 1 20 . 6 1 1 A 7 7 PRO HA H 7 4.350 4.546 -0.196 1 1 26 . 6 1 1 A 7 7 PRO C C 7 176.900 176.126 0.774 1 1 27 . 6 1 1 A 7 7 PRO CA C 7 63.500 63.380 0.120 1 1 28 . 6 1 1 A 7 7 PRO CB C 7 32.100 31.489 0.611 1 1 31 . 6 1 1 A 8 8 ALA H H 8 8.420 7.893 0.527 1 1 32 . 6 1 1 A 8 8 ALA HA H 8 4.260 4.109 0.151 1 1 36 . 6 1 1 A 8 8 ALA C C 8 178.100 176.915 1.185 1 1 37 . 6 1 1 A 8 8 ALA CA C 8 52.900 53.021 -0.121 1 1 38 . 6 1 1 A 8 8 ALA CB C 8 19.200 18.134 1.066 1 1 39 . 6 1 1 A 8 8 ALA N N 8 122.700 118.954 3.746 1 1 40 . 6 1 1 A 9 9 THR H H 9 7.880 8.283 -0.403 1 1 41 . 6 1 1 A 9 9 THR HA H 9 4.230 4.745 -0.515 1 1 46 . 6 1 1 A 9 9 THR C C 9 173.800 173.520 0.280 1 1 47 . 6 1 1 A 9 9 THR CA C 9 61.700 61.092 0.608 1 1 48 . 6 1 1 A 9 9 THR CB C 9 69.700 69.585 0.115 1 1 50 . 6 1 1 A 9 9 THR N N 9 112.900 114.695 -1.795 1 1 51 . 6 1 1 A 10 10 ALA H H 10 8.160 8.701 -0.541 1 1 52 . 6 1 1 A 10 10 ALA HA H 10 4.340 5.474 -1.134 1 1 56 . 6 1 1 A 10 10 ALA C C 10 177.000 175.336 1.664 1 1 57 . 6 1 1 A 10 10 ALA CA C 10 52.300 50.234 2.066 1 1 58 . 6 1 1 A 10 10 ALA CB C 10 19.400 23.135 -3.735 1 1 59 . 6 1 1 A 10 10 ALA N N 10 127.000 120.771 6.229 1 1 60 . 6 1 1 A 11 11 LEU H H 11 8.040 8.645 -0.605 1 1 61 . 6 1 1 A 11 11 LEU HA H 11 4.640 5.210 -0.570 1 1 70 . 6 1 1 A 11 11 LEU C C 11 178.300 175.601 2.699 1 1 71 . 6 1 1 A 11 11 LEU CA C 11 54.000 53.696 0.304 1 1 72 . 6 1 1 A 11 11 LEU CB C 11 42.900 46.111 -3.211 1 1 75 . 6 1 1 A 11 11 LEU N N 11 121.500 119.293 2.207 1 1 76 . 6 1 1 A 12 12 ASN H H 12 9.700 8.338 1.362 1 1 77 . 6 1 1 A 12 12 ASN HA H 12 4.760 5.176 -0.416 1 1 80 . 6 1 1 A 12 12 ASN C C 12 174.700 173.999 0.701 1 1 81 . 6 1 1 A 12 12 ASN CA C 12 54.100 53.311 0.789 1 1 82 . 6 1 1 A 12 12 ASN CB C 12 38.100 42.742 -4.642 1 1 83 . 6 1 1 A 12 12 ASN N N 12 121.500 120.177 1.323 1 1 84 . 6 1 1 A 13 13 THR H H 13 8.710 8.877 -0.167 1 1 85 . 6 1 1 A 13 13 THR HA H 13 4.760 5.016 -0.256 1 1 90 . 6 1 1 A 13 13 THR C C 13 173.600 174.524 -0.924 1 1 91 . 6 1 1 A 13 13 THR CA C 13 61.900 61.927 -0.027 1 1 92 . 6 1 1 A 13 13 THR CB C 13 71.500 70.871 0.629 1 1 94 . 6 1 1 A 13 13 THR N N 13 121.800 121.762 0.038 1 1 95 . 6 1 1 A 14 14 VAL H H 14 9.500 9.150 0.350 1 1 96 . 6 1 1 A 14 14 VAL HA H 14 4.660 4.119 0.541 1 1 104 . 6 1 1 A 14 14 VAL C C 14 177.000 177.466 -0.466 1 1 105 . 6 1 1 A 14 14 VAL CA C 14 63.800 63.658 0.142 1 1 106 . 6 1 1 A 14 14 VAL CB C 14 30.600 31.294 -0.694 1 1 109 . 6 1 1 A 14 14 VAL N N 14 126.700 126.362 0.338 1 1 110 . 6 1 1 A 15 15 THR H H 15 8.900 8.767 0.133 1 1 111 . 6 1 1 A 15 15 THR HA H 15 4.300 4.322 -0.022 1 1 116 . 6 1 1 A 15 15 THR C C 15 174.900 175.012 -0.112 1 1 117 . 6 1 1 A 15 15 THR CA C 15 62.800 64.077 -1.277 1 1 118 . 6 1 1 A 15 15 THR CB C 15 68.700 69.120 -0.420 1 1 120 . 6 1 1 A 15 15 THR N N 15 122.000 120.088 1.912 1 1 121 . 6 1 1 A 16 16 ALA H H 16 7.960 7.943 0.017 1 1 122 . 6 1 1 A 16 16 ALA HA H 16 4.360 4.934 -0.574 1 1 126 . 6 1 1 A 16 16 ALA C C 16 174.400 174.772 -0.372 1 1 127 . 6 1 1 A 16 16 ALA CA C 16 52.600 51.039 1.561 1 1 128 . 6 1 1 A 16 16 ALA CB C 16 21.900 22.221 -0.321 1 1 129 . 6 1 1 A 16 16 ALA N N 16 120.900 121.039 -0.139 1 1 130 . 6 1 1 A 17 17 TYR H H 17 7.790 9.115 -1.325 1 1 131 . 6 1 1 A 17 17 TYR HA H 17 4.390 5.200 -0.810 1 1 136 . 6 1 1 A 17 17 TYR C C 17 173.000 174.983 -1.983 1 1 137 . 6 1 1 A 17 17 TYR CA C 17 56.400 56.337 0.063 1 1 138 . 6 1 1 A 17 17 TYR CB C 17 39.700 39.448 0.252 1 1 141 . 6 1 1 A 17 17 TYR N N 17 114.800 125.210 -10.410 1 1 142 . 6 1 1 A 18 18 GLY H H 18 7.030 8.171 -1.141 1 1 143 . 6 1 1 A 18 18 GLY HA2 H 18 3.210 3.595 -0.385 1 1 144 . 6 1 1 A 18 18 GLY HA3 H 18 3.900 3.866 0.034 1 1 145 . 6 1 1 A 18 18 GLY C C 18 172.200 174.128 -1.928 1 1 146 . 6 1 1 A 18 18 GLY CA C 18 44.900 44.064 0.836 1 1 147 . 6 1 1 A 18 18 GLY N N 18 108.600 113.533 -4.933 1 1 148 . 6 1 1 A 19 19 ASP H H 19 8.410 8.518 -0.108 1 1 149 . 6 1 1 A 19 19 ASP HA H 19 4.320 4.343 -0.023 1 1 152 . 6 1 1 A 19 19 ASP C C 19 176.500 177.085 -0.585 1 1 153 . 6 1 1 A 19 19 ASP CA C 19 55.600 55.536 0.064 1 1 154 . 6 1 1 A 19 19 ASP CB C 19 39.500 40.950 -1.450 1 1 155 . 6 1 1 A 19 19 ASP N N 19 120.400 119.152 1.248 1 1 156 . 6 1 1 A 20 20 GLY H H 20 8.670 7.647 1.023 1 1 157 . 6 1 1 A 20 20 GLY HA2 H 20 3.670 3.999 -0.329 1 1 158 . 6 1 1 A 20 20 GLY HA3 H 20 4.210 4.019 0.191 1 1 159 . 6 1 1 A 20 20 GLY C C 20 173.900 173.419 0.481 1 1 160 . 6 1 1 A 20 20 GLY CA C 20 45.800 45.604 0.196 1 1 161 . 6 1 1 A 20 20 GLY N N 20 113.500 107.091 6.409 1 1 162 . 6 1 1 A 21 21 TYR H H 21 7.530 7.547 -0.017 1 1 163 . 6 1 1 A 21 21 TYR HA H 21 5.480 5.401 0.079 1 1 168 . 6 1 1 A 21 21 TYR C C 21 172.800 173.009 -0.209 1 1 169 . 6 1 1 A 21 21 TYR CA C 21 56.700 55.687 1.013 1 1 170 . 6 1 1 A 21 21 TYR CB C 21 41.400 41.225 0.175 1 1 173 . 6 1 1 A 21 21 TYR N N 21 114.300 115.095 -0.795 1 1 174 . 6 1 1 A 22 22 ILE H H 22 8.780 8.705 0.075 1 1 175 . 6 1 1 A 22 22 ILE HA H 22 4.350 4.956 -0.606 1 1 185 . 6 1 1 A 22 22 ILE C C 22 173.800 174.605 -0.805 1 1 186 . 6 1 1 A 22 22 ILE CA C 22 60.200 60.456 -0.256 1 1 187 . 6 1 1 A 22 22 ILE CB C 22 41.700 41.252 0.448 1 1 191 . 6 1 1 A 22 22 ILE N N 22 119.300 119.097 0.203 1 1 192 . 6 1 1 A 23 23 GLU H H 23 9.010 9.347 -0.337 1 1 193 . 6 1 1 A 23 23 GLU HA H 23 5.680 5.262 0.418 1 1 198 . 6 1 1 A 23 23 GLU C C 23 175.000 175.284 -0.284 1 1 199 . 6 1 1 A 23 23 GLU CA C 23 54.300 54.896 -0.596 1 1 200 . 6 1 1 A 23 23 GLU CB C 23 33.500 32.669 0.831 1 1 202 . 6 1 1 A 23 23 GLU N N 23 127.800 128.351 -0.551 1 1 203 . 6 1 1 A 24 24 VAL H H 24 8.980 8.849 0.131 1 1 204 . 6 1 1 A 24 24 VAL HA H 24 4.840 4.615 0.225 1 1 212 . 6 1 1 A 24 24 VAL C C 24 177.300 176.170 1.130 1 1 213 . 6 1 1 A 24 24 VAL CA C 24 60.600 61.144 -0.544 1 1 214 . 6 1 1 A 24 24 VAL CB C 24 33.600 34.044 -0.444 1 1 217 . 6 1 1 A 24 24 VAL N N 24 125.400 126.780 -1.380 1 1 218 . 6 1 1 A 25 25 ASN H H 25 9.340 9.715 -0.375 1 1 219 . 6 1 1 A 25 25 ASN HA H 25 4.340 4.331 0.009 1 1 222 . 6 1 1 A 25 25 ASN C C 25 173.800 174.244 -0.444 1 1 223 . 6 1 1 A 25 25 ASN CA C 25 54.600 54.314 0.286 1 1 224 . 6 1 1 A 25 25 ASN CB C 25 36.600 37.197 -0.597 1 1 225 . 6 1 1 A 25 25 ASN N N 25 127.800 126.569 1.231 1 1 226 . 6 1 1 A 26 26 GLN H H 26 7.920 8.886 -0.966 1 1 227 . 6 1 1 A 26 26 GLN HA H 26 3.670 3.829 -0.159 1 1 232 . 6 1 1 A 26 26 GLN C C 26 174.400 174.488 -0.088 1 1 233 . 6 1 1 A 26 26 GLN CA C 26 58.100 57.392 0.708 1 1 234 . 6 1 1 A 26 26 GLN CB C 26 26.500 26.558 -0.058 1 1 236 . 6 1 1 A 26 26 GLN N N 26 104.100 109.276 -5.176 1 1 237 . 6 1 1 A 27 27 VAL H H 27 7.850 7.615 0.235 1 1 238 . 6 1 1 A 27 27 VAL HA H 27 3.900 4.042 -0.142 1 1 246 . 6 1 1 A 27 27 VAL C C 27 174.200 174.665 -0.465 1 1 247 . 6 1 1 A 27 27 VAL CA C 27 62.100 61.081 1.019 1 1 248 . 6 1 1 A 27 27 VAL CB C 27 32.500 32.512 -0.012 1 1 251 . 6 1 1 A 27 27 VAL N N 27 123.100 119.373 3.727 1 1 252 . 6 1 1 A 28 28 ARG H H 28 8.430 8.690 -0.260 1 1 253 . 6 1 1 A 28 28 ARG HA H 28 4.320 4.564 -0.244 1 1 256 . 6 1 1 A 28 28 ARG C C 28 175.200 175.049 0.151 1 1 257 . 6 1 1 A 28 28 ARG CA C 28 57.100 55.320 1.780 1 1 258 . 6 1 1 A 28 28 ARG CB C 28 31.300 30.591 0.709 1 1 259 . 6 1 1 A 28 28 ARG N N 28 126.200 127.263 -1.063 1 1 260 . 6 1 1 A 29 29 PHE H H 29 9.290 9.647 -0.357 1 1 261 . 6 1 1 A 29 29 PHE HA H 29 4.580 4.746 -0.166 1 1 266 . 6 1 1 A 29 29 PHE C C 29 175.800 175.553 0.247 1 1 267 . 6 1 1 A 29 29 PHE CA C 29 57.700 56.546 1.154 1 1 268 . 6 1 1 A 29 29 PHE CB C 29 42.000 38.996 3.004 1 1 271 . 6 1 1 A 29 29 PHE N N 29 123.900 124.146 -0.246 1 1 272 . 6 1 1 A 30 30 SER H H 30 8.950 8.703 0.247 1 1 273 . 6 1 1 A 30 30 SER HA H 30 5.130 4.569 0.561 1 1 276 . 6 1 1 A 30 30 SER C C 30 172.900 173.497 -0.597 1 1 277 . 6 1 1 A 30 30 SER CA C 30 57.000 58.545 -1.545 1 1 278 . 6 1 1 A 30 30 SER CB C 30 63.200 63.490 -0.290 1 1 279 . 6 1 1 A 30 30 SER N N 30 119.400 117.199 2.201 1 1 280 . 6 1 1 A 31 31 HIS H H 31 7.170 7.182 -0.012 1 1 281 . 6 1 1 A 31 31 HIS HA H 31 4.840 5.254 -0.414 1 1 284 . 6 1 1 A 31 31 HIS C C 31 171.900 173.441 -1.541 1 1 285 . 6 1 1 A 31 31 HIS CA C 31 53.200 53.482 -0.282 1 1 286 . 6 1 1 A 31 31 HIS CB C 31 31.100 32.671 -1.571 1 1 287 . 6 1 1 A 31 31 HIS N N 31 114.600 116.890 -2.290 1 1 288 . 6 1 1 A 32 32 ALA H H 32 8.930 8.566 0.364 1 1 289 . 6 1 1 A 32 32 ALA HA H 32 5.050 4.300 0.750 1 1 293 . 6 1 1 A 32 32 ALA C C 32 179.000 177.661 1.339 1 1 294 . 6 1 1 A 32 32 ALA CA C 32 53.700 52.772 0.928 1 1 295 . 6 1 1 A 32 32 ALA CB C 32 20.700 19.481 1.219 1 1 296 . 6 1 1 A 32 32 ALA N N 32 120.200 122.737 -2.537 1 1 297 . 6 1 1 A 33 33 ILE H H 33 8.280 8.555 -0.275 1 1 298 . 6 1 1 A 33 33 ILE HA H 33 5.520 5.135 0.385 1 1 308 . 6 1 1 A 33 33 ILE C C 33 173.400 174.622 -1.222 1 1 309 . 6 1 1 A 33 33 ILE CA C 33 59.500 59.246 0.254 1 1 310 . 6 1 1 A 33 33 ILE CB C 33 44.500 41.620 2.880 1 1 313 . 6 1 1 A 33 33 ILE N N 33 115.800 117.320 -1.520 1 1 314 . 6 1 1 A 34 34 ALA H H 34 8.900 8.932 -0.032 1 1 315 . 6 1 1 A 34 34 ALA HA H 34 5.290 5.179 0.111 1 1 319 . 6 1 1 A 34 34 ALA C C 34 176.100 175.803 0.297 1 1 320 . 6 1 1 A 34 34 ALA CA C 34 51.100 50.801 0.299 1 1 321 . 6 1 1 A 34 34 ALA CB C 34 21.900 20.678 1.222 1 1 322 . 6 1 1 A 34 34 ALA N N 34 121.600 125.691 -4.091 1 1 323 . 6 1 1 A 35 35 PHE H H 35 8.580 8.605 -0.025 1 1 324 . 6 1 1 A 35 35 PHE HA H 35 4.740 5.225 -0.485 1 1 330 . 6 1 1 A 35 35 PHE C C 35 170.000 172.324 -2.324 1 1 331 . 6 1 1 A 35 35 PHE CA C 35 57.100 55.448 1.652 1 1 332 . 6 1 1 A 35 35 PHE CB C 35 39.700 41.643 -1.943 1 1 336 . 6 1 1 A 35 35 PHE N N 35 116.600 118.344 -1.744 1 1 337 . 6 1 1 A 36 36 ALA H H 36 8.730 8.262 0.468 1 1 338 . 6 1 1 A 36 36 ALA HA H 36 5.170 5.007 0.163 1 1 342 . 6 1 1 A 36 36 ALA CA C 36 49.100 48.571 0.529 1 1 343 . 6 1 1 A 36 36 ALA CB C 36 20.500 20.574 -0.074 1 1 344 . 6 1 1 A 36 36 ALA N N 36 123.400 123.796 -0.396 1 1 345 . 6 1 1 A 37 37 PRO HA H 37 4.740 4.755 -0.015 1 1 350 . 6 1 1 A 37 37 PRO C C 37 176.500 177.200 -0.700 1 1 351 . 6 1 1 A 37 37 PRO CA C 37 66.200 64.318 1.882 1 1 352 . 6 1 1 A 37 37 PRO CB C 37 33.600 31.749 1.851 1 1 354 . 6 1 1 A 38 38 GLU H H 38 7.450 8.586 -1.136 1 1 355 . 6 1 1 A 38 38 GLU HA H 38 4.790 4.464 0.326 1 1 360 . 6 1 1 A 38 38 GLU C C 38 177.300 176.587 0.713 1 1 361 . 6 1 1 A 38 38 GLU CA C 38 54.200 56.104 -1.904 1 1 362 . 6 1 1 A 38 38 GLU CB C 38 32.600 29.934 2.666 1 1 364 . 6 1 1 A 38 38 GLU N N 38 110.100 117.170 -7.070 1 1 365 . 6 1 1 A 39 39 GLY H H 39 8.600 7.527 1.073 1 1 366 . 6 1 1 A 39 39 GLY HA2 H 39 3.920 4.139 -0.219 1 1 367 . 6 1 1 A 39 39 GLY HA3 H 39 4.440 4.142 0.298 1 1 368 . 6 1 1 A 39 39 GLY CA C 39 44.400 44.954 -0.554 1 1 369 . 6 1 1 A 39 39 GLY N N 39 109.500 107.959 1.541 1 1 370 . 6 1 1 A 40 40 PRO HA H 40 4.550 4.868 -0.318 1 1 375 . 6 1 1 A 40 40 PRO C C 40 177.100 175.588 1.512 1 1 376 . 6 1 1 A 40 40 PRO CA C 40 62.500 63.029 -0.529 1 1 377 . 6 1 1 A 40 40 PRO CB C 40 32.700 32.187 0.513 1 1 378 . 6 1 1 A 41 41 VAL H H 41 8.530 8.922 -0.392 1 1 379 . 6 1 1 A 41 41 VAL HA H 41 3.900 4.507 -0.607 1 1 387 . 6 1 1 A 41 41 VAL C C 41 175.200 175.593 -0.393 1 1 388 . 6 1 1 A 41 41 VAL CA C 41 63.000 60.870 2.130 1 1 389 . 6 1 1 A 41 41 VAL CB C 41 31.100 33.322 -2.222 1 1 392 . 6 1 1 A 41 41 VAL N N 41 123.000 123.533 -0.533 1 1 393 . 6 1 1 A 42 42 ALA H H 42 8.320 9.053 -0.733 1 1 394 . 6 1 1 A 42 42 ALA HA H 42 4.750 5.225 -0.475 1 1 398 . 6 1 1 A 42 42 ALA C C 42 177.400 176.527 0.873 1 1 399 . 6 1 1 A 42 42 ALA CA C 42 50.800 50.708 0.092 1 1 400 . 6 1 1 A 42 42 ALA CB C 42 21.400 21.960 -0.560 1 1 401 . 6 1 1 A 42 42 ALA N N 42 131.300 131.526 -0.226 1 1 402 . 6 1 1 A 43 43 SER H H 43 8.660 8.615 0.045 1 1 403 . 6 1 1 A 43 43 SER HA H 43 4.690 5.683 -0.993 1 1 406 . 6 1 1 A 43 43 SER CA C 43 59.000 56.935 2.065 1 1 407 . 6 1 1 A 43 43 SER CB C 43 62.800 66.255 -3.455 1 1 408 . 6 1 1 A 43 43 SER N N 43 115.400 115.504 -0.104 1 1 409 . 6 1 1 A 44 44 TRP HA H 44 5.470 4.990 0.480 1 1 418 . 6 1 1 A 44 44 TRP CA C 44 52.200 55.027 -2.827 1 1 419 . 6 1 1 A 44 44 TRP CB C 44 31.000 31.451 -0.451 1 1 426 . 6 1 1 A 45 45 PRO HA H 45 4.550 4.611 -0.061 1 1 431 . 6 1 1 A 45 45 PRO C C 45 173.000 176.238 -3.238 1 1 432 . 6 1 1 A 45 45 PRO CA C 45 63.300 63.678 -0.378 1 1 433 . 6 1 1 A 45 45 PRO CB C 45 27.800 32.249 -4.449 1 1 435 . 6 1 1 A 46 46 VAL H H 46 8.390 7.772 0.618 1 1 436 . 6 1 1 A 46 46 VAL HA H 46 3.770 4.109 -0.339 1 1 444 . 6 1 1 A 46 46 VAL C C 46 174.100 175.764 -1.664 1 1 445 . 6 1 1 A 46 46 VAL CA C 46 61.100 62.027 -0.927 1 1 446 . 6 1 1 A 46 46 VAL CB C 46 35.200 32.170 3.030 1 1 449 . 6 1 1 A 46 46 VAL N N 46 124.300 121.337 2.963 1 1 450 . 6 1 1 A 47 47 GLN H H 47 8.970 8.492 0.478 1 1 451 . 6 1 1 A 47 47 GLN HA H 47 4.430 4.701 -0.271 1 1 456 . 6 1 1 A 47 47 GLN C C 47 175.100 175.581 -0.481 1 1 457 . 6 1 1 A 47 47 GLN CA C 47 56.400 56.632 -0.232 1 1 458 . 6 1 1 A 47 47 GLN CB C 47 30.900 31.055 -0.155 1 1 459 . 6 1 1 A 47 47 GLN N N 47 122.000 126.158 -4.158 1 1 460 . 6 1 1 A 48 48 ARG H H 48 7.720 8.194 -0.474 1 1 461 . 6 1 1 A 48 48 ARG HA H 48 4.750 4.666 0.084 1 1 468 . 6 1 1 A 48 48 ARG CA C 48 52.800 52.593 0.207 1 1 469 . 6 1 1 A 48 48 ARG CB C 48 30.500 31.167 -0.667 1 1 471 . 6 1 1 A 48 48 ARG N N 48 116.600 118.670 -2.070 1 1 472 . 6 1 1 A 49 49 PRO HA H 49 3.750 4.407 -0.657 1 1 477 . 6 1 1 A 49 49 PRO C C 49 177.500 177.003 0.497 1 1 478 . 6 1 1 A 49 49 PRO CA C 49 65.400 64.197 1.203 1 1 479 . 6 1 1 A 49 49 PRO CB C 49 30.700 31.722 -1.022 1 1 481 . 6 1 1 A 50 50 ALA H H 50 7.960 8.235 -0.275 1 1 482 . 6 1 1 A 50 50 ALA HA H 50 4.010 3.863 0.147 1 1 486 . 6 1 1 A 50 50 ALA C C 50 177.300 178.165 -0.865 1 1 487 . 6 1 1 A 50 50 ALA CA C 50 53.800 53.430 0.370 1 1 488 . 6 1 1 A 50 50 ALA CB C 50 18.500 18.850 -0.350 1 1 489 . 6 1 1 A 50 50 ALA N N 50 117.200 120.368 -3.168 1 1 490 . 6 1 1 A 51 51 ASP H H 51 7.570 7.961 -0.391 1 1 491 . 6 1 1 A 51 51 ASP HA H 51 4.410 4.614 -0.204 1 1 494 . 6 1 1 A 51 51 ASP C C 51 176.000 176.794 -0.794 1 1 495 . 6 1 1 A 51 51 ASP CA C 51 54.200 55.107 -0.907 1 1 496 . 6 1 1 A 51 51 ASP CB C 51 41.900 41.437 0.463 1 1 497 . 6 1 1 A 51 51 ASP N N 51 114.800 116.072 -1.272 1 1 498 . 6 1 1 A 52 52 ILE H H 52 7.290 7.246 0.044 1 1 499 . 6 1 1 A 52 52 ILE HA H 52 3.100 3.686 -0.586 1 1 509 . 6 1 1 A 52 52 ILE C C 52 174.800 175.406 -0.606 1 1 510 . 6 1 1 A 52 52 ILE CA C 52 65.100 62.318 2.782 1 1 511 . 6 1 1 A 52 52 ILE CB C 52 37.100 37.710 -0.610 1 1 515 . 6 1 1 A 52 52 ILE N N 52 117.700 122.007 -4.307 1 1 516 . 6 1 1 A 53 53 THR H H 53 6.560 8.619 -2.059 1 1 517 . 6 1 1 A 53 53 THR HA H 53 4.720 4.743 -0.023 1 1 522 . 6 1 1 A 53 53 THR C C 53 174.600 175.384 -0.784 1 1 523 . 6 1 1 A 53 53 THR CA C 53 58.500 60.641 -2.141 1 1 524 . 6 1 1 A 53 53 THR CB C 53 72.900 71.475 1.425 1 1 526 . 6 1 1 A 53 53 THR N N 53 117.300 122.278 -4.978 1 1 527 . 6 1 1 A 54 54 ALA H H 54 9.340 9.191 0.149 1 1 528 . 6 1 1 A 54 54 ALA HA H 54 4.460 4.019 0.441 1 1 532 . 6 1 1 A 54 54 ALA C C 54 167.400 179.735 -12.335 1 1 533 . 6 1 1 A 54 54 ALA CA C 54 55.800 55.562 0.238 1 1 534 . 6 1 1 A 54 54 ALA CB C 54 18.200 18.186 0.014 1 1 535 . 6 1 1 A 54 54 ALA N N 54 123.800 127.097 -3.297 1 1 536 . 6 1 1 A 55 55 SER H H 55 8.530 8.116 0.414 1 1 537 . 6 1 1 A 55 55 SER HA H 55 4.280 4.084 0.196 1 1 541 . 6 1 1 A 55 55 SER C C 55 177.700 176.200 1.500 1 1 542 . 6 1 1 A 55 55 SER CA C 55 61.600 62.154 -0.554 1 1 543 . 6 1 1 A 55 55 SER CB C 55 62.600 63.045 -0.445 1 1 544 . 6 1 1 A 55 55 SER N N 55 112.600 113.826 -1.226 1 1 545 . 6 1 1 A 56 56 LEU H H 56 7.810 7.958 -0.148 1 1 546 . 6 1 1 A 56 56 LEU HA H 56 4.280 4.019 0.261 1 1 556 . 6 1 1 A 56 56 LEU C C 56 168.100 179.722 -11.622 1 1 557 . 6 1 1 A 56 56 LEU CA C 56 57.900 57.569 0.331 1 1 558 . 6 1 1 A 56 56 LEU CB C 56 42.100 40.625 1.475 1 1 562 . 6 1 1 A 56 56 LEU N N 56 122.500 120.679 1.821 1 1 563 . 6 1 1 A 57 57 LEU H H 57 8.490 7.911 0.579 1 1 564 . 6 1 1 A 57 57 LEU HA H 57 4.180 4.174 0.006 1 1 574 . 6 1 1 A 57 57 LEU C C 57 178.000 179.585 -1.585 1 1 575 . 6 1 1 A 57 57 LEU CA C 57 58.300 58.223 0.077 1 1 576 . 6 1 1 A 57 57 LEU CB C 57 41.200 40.742 0.458 1 1 580 . 6 1 1 A 57 57 LEU N N 57 123.900 120.314 3.586 1 1 581 . 6 1 1 A 58 58 GLN H H 58 8.500 8.203 0.297 1 1 582 . 6 1 1 A 58 58 GLN HA H 58 3.680 4.097 -0.417 1 1 589 . 6 1 1 A 58 58 GLN C C 58 178.200 179.015 -0.815 1 1 590 . 6 1 1 A 58 58 GLN CA C 58 60.200 59.287 0.913 1 1 591 . 6 1 1 A 58 58 GLN CB C 58 28.500 28.133 0.367 1 1 593 . 6 1 1 A 58 58 GLN N N 58 118.800 119.103 -0.303 1 1 595 . 6 1 1 A 59 59 GLN H H 59 8.300 7.854 0.446 1 1 596 . 6 1 1 A 59 59 GLN HA H 59 4.090 4.098 -0.008 1 1 601 . 6 1 1 A 59 59 GLN C C 59 179.900 178.845 1.055 1 1 602 . 6 1 1 A 59 59 GLN CA C 59 58.900 58.651 0.249 1 1 603 . 6 1 1 A 59 59 GLN CB C 59 28.800 28.441 0.359 1 1 605 . 6 1 1 A 59 59 GLN N N 59 118.600 120.022 -1.422 1 1 606 . 6 1 1 A 60 60 ALA H H 60 7.850 8.497 -0.647 1 1 607 . 6 1 1 A 60 60 ALA HA H 60 3.580 4.154 -0.574 1 1 611 . 6 1 1 A 60 60 ALA C C 60 176.700 180.573 -3.873 1 1 612 . 6 1 1 A 60 60 ALA CA C 60 54.700 54.938 -0.238 1 1 613 . 6 1 1 A 60 60 ALA CB C 60 17.400 18.389 -0.989 1 1 614 . 6 1 1 A 60 60 ALA N N 60 122.500 122.788 -0.288 1 1 615 . 6 1 1 A 61 61 ALA H H 61 7.540 7.777 -0.237 1 1 616 . 6 1 1 A 61 61 ALA HA H 61 3.970 4.288 -0.318 1 1 620 . 6 1 1 A 61 61 ALA C C 61 176.300 178.013 -1.713 1 1 621 . 6 1 1 A 61 61 ALA CA C 61 52.400 52.210 0.190 1 1 622 . 6 1 1 A 61 61 ALA CB C 61 19.100 19.351 -0.251 1 1 623 . 6 1 1 A 61 61 ALA N N 61 113.700 117.963 -4.263 1 1 624 . 6 1 1 A 62 62 GLY H H 62 7.600 7.790 -0.190 1 1 625 . 6 1 1 A 62 62 GLY HA2 H 62 3.890 3.971 -0.081 1 1 626 . 6 1 1 A 62 62 GLY HA3 H 62 3.980 3.980 0.000 1 1 627 . 6 1 1 A 62 62 GLY C C 62 175.400 174.561 0.839 1 1 628 . 6 1 1 A 62 62 GLY CA C 62 45.800 46.600 -0.800 1 1 629 . 6 1 1 A 62 62 GLY N N 62 104.800 107.212 -2.412 1 1 630 . 6 1 1 A 63 63 LEU H H 63 7.770 7.954 -0.184 1 1 631 . 6 1 1 A 63 63 LEU HA H 63 4.430 4.431 -0.001 1 1 640 . 6 1 1 A 63 63 LEU C C 63 176.400 175.029 1.371 1 1 641 . 6 1 1 A 63 63 LEU CA C 63 54.000 54.099 -0.099 1 1 642 . 6 1 1 A 63 63 LEU CB C 63 42.500 40.013 2.487 1 1 645 . 6 1 1 A 63 63 LEU N N 63 119.100 120.081 -0.981 1 1 646 . 6 1 1 A 64 64 ALA H H 64 8.060 7.852 0.208 1 1 647 . 6 1 1 A 64 64 ALA HA H 64 4.160 4.755 -0.595 1 1 651 . 6 1 1 A 64 64 ALA C C 64 177.300 177.287 0.013 1 1 652 . 6 1 1 A 64 64 ALA CA C 64 52.700 50.567 2.133 1 1 653 . 6 1 1 A 64 64 ALA CB C 64 19.700 22.119 -2.419 1 1 654 . 6 1 1 A 64 64 ALA N N 64 122.900 122.280 0.620 1 1 655 . 6 1 1 A 65 65 GLU H H 65 8.260 8.437 -0.177 1 1 656 . 6 1 1 A 65 65 GLU C C 65 176.300 177.071 -0.771 1 1 657 . 6 1 1 A 65 65 GLU CA C 65 56.400 59.778 -3.378 1 1 658 . 6 1 1 A 65 65 GLU CB C 65 30.100 30.382 -0.282 1 1 659 . 6 1 1 A 65 65 GLU N N 65 118.900 121.533 -2.633 1 1 660 . 6 1 1 A 66 66 VAL H H 66 7.960 8.246 -0.286 1 1 661 . 6 1 1 A 66 66 VAL HA H 66 4.020 4.409 -0.389 1 1 663 . 6 1 1 A 66 66 VAL C C 66 175.900 174.879 1.021 1 1 664 . 6 1 1 A 66 66 VAL CA C 66 62.300 61.547 0.753 1 1 665 . 6 1 1 A 66 66 VAL CB C 66 32.800 33.006 -0.206 1 1 666 . 6 1 1 A 66 66 VAL N N 66 121.500 120.402 1.098 1 1 667 . 6 1 1 A 67 67 VAL H H 67 8.210 8.820 -0.610 1 1 668 . 6 1 1 A 67 67 VAL C C 67 175.800 175.461 0.339 1 1 669 . 6 1 1 A 67 67 VAL CA C 67 62.200 63.020 -0.820 1 1 670 . 6 1 1 A 67 67 VAL CB C 67 32.600 31.450 1.150 1 1 671 . 6 1 1 A 67 67 VAL N N 67 124.900 128.333 -3.433 1 1 672 . 6 1 1 A 68 68 ARG H H 68 8.380 8.558 -0.178 1 1 673 . 6 1 1 A 68 68 ARG HA H 68 4.270 4.530 -0.260 1 1 674 . 6 1 1 A 68 68 ARG C C 68 175.400 175.622 -0.222 1 1 675 . 6 1 1 A 68 68 ARG CA C 68 55.700 55.874 -0.174 1 1 676 . 6 1 1 A 68 68 ARG CB C 68 31.100 30.139 0.961 1 1 677 . 6 1 1 A 68 68 ARG N N 68 125.900 127.766 -1.866 1 1 678 . 6 1 1 A 69 69 ASP H H 69 8.390 8.205 0.185 1 1 679 . 6 1 1 A 69 69 ASP HA H 69 4.800 4.696 0.104 1 1 682 . 6 1 1 A 69 69 ASP CA C 69 51.700 51.853 -0.153 1 1 683 . 6 1 1 A 69 69 ASP CB C 69 41.700 41.987 -0.287 1 1 684 . 6 1 1 A 69 69 ASP N N 69 123.600 126.360 -2.760 1 1 685 . 6 1 1 A 70 70 PRO HA H 70 4.290 4.420 -0.130 1 1 688 . 6 1 1 A 70 70 PRO C C 70 177.500 176.992 0.508 1 1 689 . 6 1 1 A 70 70 PRO CA C 70 64.100 63.815 0.285 1 1 690 . 6 1 1 A 70 70 PRO CB C 70 32.300 32.737 -0.437 1 1 691 . 6 1 1 A 71 71 LEU H H 71 8.280 7.887 0.393 1 1 692 . 6 1 1 A 71 71 LEU HA H 71 4.260 4.109 0.151 1 1 698 . 6 1 1 A 71 71 LEU C C 71 177.600 176.813 0.787 1 1 699 . 6 1 1 A 71 71 LEU CA C 71 55.100 56.925 -1.825 1 1 700 . 6 1 1 A 71 71 LEU CB C 71 41.200 42.511 -1.311 1 1 702 . 6 1 1 A 71 71 LEU N N 71 118.400 117.839 0.561 1 1 703 . 6 1 1 A 72 72 ALA H H 72 7.660 8.039 -0.379 1 1 704 . 6 1 1 A 72 72 ALA HA H 72 4.170 4.214 -0.044 1 1 708 . 6 1 1 A 72 72 ALA C C 72 177.400 176.685 0.715 1 1 709 . 6 1 1 A 72 72 ALA CA C 72 52.600 50.791 1.809 1 1 710 . 6 1 1 A 72 72 ALA CB C 72 19.200 20.573 -1.373 1 1 711 . 6 1 1 A 72 72 ALA N N 72 122.900 120.535 2.365 1 1 712 . 6 1 1 A 73 73 PHE H H 73 7.940 9.015 -1.075 1 1 713 . 6 1 1 A 73 73 PHE HA H 73 4.510 4.849 -0.339 1 1 717 . 6 1 1 A 73 73 PHE C C 73 175.600 174.318 1.282 1 1 718 . 6 1 1 A 73 73 PHE CA C 73 57.800 57.219 0.581 1 1 719 . 6 1 1 A 73 73 PHE CB C 73 39.100 39.680 -0.580 1 1 720 . 6 1 1 A 73 73 PHE N N 73 118.200 116.782 1.418 1 1 721 . 6 1 1 A 74 74 LEU H H 74 7.890 7.649 0.241 1 1 722 . 6 1 1 A 74 74 LEU CA C 74 55.200 53.215 1.985 1 1 723 . 6 1 1 A 74 74 LEU CB C 74 42.400 45.018 -2.618 1 1 724 . 6 1 1 A 74 74 LEU N N 74 122.600 120.265 2.335 1 1 725 . 6 1 1 A 78 78 GLU C C 78 176.600 176.449 0.151 1 1 726 . 6 1 1 A 78 78 GLU CA C 78 57.500 56.231 1.269 1 1 727 . 6 1 1 A 78 78 GLU CB C 78 30.100 30.424 -0.324 1 1 728 . 6 1 1 A 79 79 ALA H H 79 8.460 8.607 -0.147 1 1 729 . 6 1 1 A 79 79 ALA C C 79 178.300 178.064 0.236 1 1 730 . 6 1 1 A 79 79 ALA CA C 79 52.900 53.279 -0.379 1 1 731 . 6 1 1 A 79 79 ALA CB C 79 19.200 18.785 0.415 1 1 732 . 6 1 1 A 79 79 ALA N N 79 124.700 129.071 -4.371 1 1 733 . 6 1 1 A 80 80 GLY H H 80 8.330 8.669 -0.339 1 1 734 . 6 1 1 A 80 80 GLY C C 80 174.100 173.583 0.517 1 1 735 . 6 1 1 A 80 80 GLY CA C 80 45.100 47.295 -2.195 1 1 736 . 6 1 1 A 80 80 GLY N N 80 108.200 113.573 -5.373 1 1 737 . 6 1 1 A 81 81 ALA H H 81 8.140 8.145 -0.005 1 1 738 . 6 1 1 A 81 81 ALA HA H 81 4.170 5.144 -0.974 1 1 739 . 6 1 1 A 81 81 ALA C C 81 178.400 176.299 2.101 1 1 740 . 6 1 1 A 81 81 ALA CA C 81 52.800 51.629 1.171 1 1 741 . 6 1 1 A 81 81 ALA CB C 81 19.200 22.491 -3.291 1 1 742 . 6 1 1 A 81 81 ALA N N 81 123.600 125.907 -2.307 1 1 743 . 6 1 1 A 82 82 GLY H H 82 8.400 9.090 -0.690 1 1 744 . 6 1 1 A 82 82 GLY HA2 H 82 3.860 4.106 -0.246 1 1 745 . 6 1 1 A 82 82 GLY HA3 H 82 2.880 4.106 -1.226 1 1 746 . 6 1 1 A 82 82 GLY C C 82 173.600 174.966 -1.366 1 1 747 . 6 1 1 A 82 82 GLY CA C 82 45.200 44.443 0.757 1 1 748 . 6 1 1 A 82 82 GLY N N 82 108.000 110.521 -2.521 1 1 749 . 6 1 1 A 83 83 ALA H H 83 7.980 8.699 -0.719 1 1 750 . 6 1 1 A 83 83 ALA HA H 83 4.280 4.061 0.219 1 1 754 . 6 1 1 A 83 83 ALA C C 83 177.200 177.732 -0.532 1 1 755 . 6 1 1 A 83 83 ALA CA C 83 52.100 54.740 -2.640 1 1 756 . 6 1 1 A 83 83 ALA CB C 83 19.500 18.822 0.678 1 1 757 . 6 1 1 A 83 83 ALA N N 83 123.300 122.017 1.283 1 1 758 . 6 1 1 A 84 84 ARG H H 84 8.240 8.043 0.197 1 1 759 . 6 1 1 A 84 84 ARG HA H 84 4.610 4.692 -0.082 1 1 762 . 6 1 1 A 84 84 ARG CA C 84 54.000 52.075 1.925 1 1 763 . 6 1 1 A 84 84 ARG CB C 84 30.500 31.679 -1.179 1 1 764 . 6 1 1 A 84 84 ARG N N 84 121.700 117.075 4.625 1 1 765 . 6 1 1 A 85 85 PRO HA H 85 4.390 4.369 0.021 1 1 770 . 6 1 1 A 85 85 PRO C C 85 177.000 177.739 -0.739 1 1 771 . 6 1 1 A 85 85 PRO CA C 85 62.900 65.599 -2.699 1 1 772 . 6 1 1 A 85 85 PRO CB C 85 32.200 31.656 0.544 1 1 773 . 6 1 1 A 86 86 ALA H H 86 8.600 7.590 1.010 1 1 774 . 6 1 1 A 86 86 ALA HA H 86 4.150 4.318 -0.168 1 1 778 . 6 1 1 A 86 86 ALA C C 86 177.800 177.314 0.486 1 1 779 . 6 1 1 A 86 86 ALA CA C 86 53.400 51.390 2.010 1 1 780 . 6 1 1 A 86 86 ALA CB C 86 18.900 18.385 0.515 1 1 781 . 6 1 1 A 86 86 ALA N N 86 124.900 117.657 7.243 1 1 782 . 6 1 1 A 87 87 ASN H H 87 8.380 7.811 0.569 1 1 783 . 6 1 1 A 87 87 ASN HA H 87 4.590 4.806 -0.216 1 1 786 . 6 1 1 A 87 87 ASN C C 87 174.400 174.023 0.377 1 1 787 . 6 1 1 A 87 87 ASN CA C 87 52.600 54.420 -1.820 1 1 788 . 6 1 1 A 87 87 ASN CB C 87 38.300 37.497 0.803 1 1 789 . 6 1 1 A 87 87 ASN N N 87 114.900 114.787 0.113 1 1 790 . 6 1 1 A 88 88 ALA H H 88 7.800 7.866 -0.066 1 1 791 . 6 1 1 A 88 88 ALA HA H 88 4.400 4.562 -0.162 1 1 795 . 6 1 1 A 88 88 ALA CA C 88 50.400 50.231 0.169 1 1 796 . 6 1 1 A 88 88 ALA CB C 88 17.900 19.738 -1.838 1 1 797 . 6 1 1 A 88 88 ALA N N 88 123.600 120.537 3.063 1 1 798 . 6 1 1 A 89 89 PRO HA H 89 4.390 4.641 -0.251 1 1 805 . 6 1 1 A 89 89 PRO C C 89 175.000 176.692 -1.692 1 1 806 . 6 1 1 A 89 89 PRO CA C 89 62.400 62.439 -0.039 1 1 807 . 6 1 1 A 89 89 PRO CB C 89 31.700 33.202 -1.502 1 1 810 . 6 1 1 A 90 90 GLU H H 90 9.000 8.860 0.140 1 1 811 . 6 1 1 A 90 90 GLU HA H 90 4.310 4.339 -0.029 1 1 814 . 6 1 1 A 90 90 GLU C C 90 177.300 175.785 1.515 1 1 815 . 6 1 1 A 90 90 GLU CA C 90 58.000 58.507 -0.507 1 1 816 . 6 1 1 A 90 90 GLU CB C 90 31.400 31.082 0.318 1 1 817 . 6 1 1 A 90 90 GLU N N 90 117.700 120.798 -3.098 1 1 818 . 6 1 1 A 91 91 VAL H H 91 7.310 7.407 -0.097 1 1 819 . 6 1 1 A 91 91 VAL HA H 91 4.570 4.739 -0.169 1 1 827 . 6 1 1 A 91 91 VAL C C 91 171.000 173.040 -2.040 1 1 828 . 6 1 1 A 91 91 VAL CA C 91 59.700 59.746 -0.046 1 1 829 . 6 1 1 A 91 91 VAL CB C 91 35.600 35.739 -0.139 1 1 832 . 6 1 1 A 91 91 VAL N N 91 115.900 117.814 -1.914 1 1 833 . 6 1 1 A 92 92 LEU H H 92 8.700 9.494 -0.794 1 1 834 . 6 1 1 A 92 92 LEU HA H 92 4.950 5.265 -0.315 1 1 844 . 6 1 1 A 92 92 LEU C C 92 174.300 174.365 -0.065 1 1 845 . 6 1 1 A 92 92 LEU CA C 92 52.700 53.365 -0.665 1 1 846 . 6 1 1 A 92 92 LEU CB C 92 44.100 45.562 -1.462 1 1 850 . 6 1 1 A 92 92 LEU N N 92 128.500 129.255 -0.755 1 1 851 . 6 1 1 A 93 93 LEU H H 93 8.770 9.541 -0.771 1 1 852 . 6 1 1 A 93 93 LEU HA H 93 4.910 5.130 -0.220 1 1 862 . 6 1 1 A 93 93 LEU C C 93 174.900 175.375 -0.475 1 1 863 . 6 1 1 A 93 93 LEU CA C 93 52.600 53.383 -0.783 1 1 864 . 6 1 1 A 93 93 LEU CB C 93 44.300 42.864 1.436 1 1 868 . 6 1 1 A 93 93 LEU N N 93 127.300 128.459 -1.159 1 1 869 . 6 1 1 A 94 94 VAL H H 94 8.800 9.453 -0.653 1 1 870 . 6 1 1 A 94 94 VAL HA H 94 4.880 4.561 0.319 1 1 878 . 6 1 1 A 94 94 VAL C C 94 175.000 175.329 -0.329 1 1 879 . 6 1 1 A 94 94 VAL CA C 94 60.000 61.041 -1.041 1 1 880 . 6 1 1 A 94 94 VAL CB C 94 33.900 33.006 0.894 1 1 883 . 6 1 1 A 94 94 VAL N N 94 122.000 126.200 -4.200 1 1 884 . 6 1 1 A 95 95 GLY H H 95 9.730 9.660 0.070 1 1 885 . 6 1 1 A 95 95 GLY HA2 H 95 3.240 4.061 -0.821 1 1 886 . 6 1 1 A 95 95 GLY HA3 H 95 4.940 4.076 0.864 1 1 887 . 6 1 1 A 95 95 GLY C C 95 175.000 175.081 -0.081 1 1 888 . 6 1 1 A 95 95 GLY CA C 95 45.500 45.451 0.049 1 1 889 . 6 1 1 A 95 95 GLY N N 95 114.000 116.026 -2.026 1 1 890 . 6 1 1 A 96 96 THR H H 96 9.320 8.887 0.433 1 1 891 . 6 1 1 A 96 96 THR HA H 96 4.210 4.455 -0.245 1 1 896 . 6 1 1 A 96 96 THR C C 96 173.000 175.587 -2.587 1 1 897 . 6 1 1 A 96 96 THR CA C 96 61.800 63.153 -1.353 1 1 898 . 6 1 1 A 96 96 THR CB C 96 67.600 69.837 -2.237 1 1 900 . 6 1 1 A 96 96 THR N N 96 113.800 115.912 -2.112 1 1 901 . 6 1 1 A 97 97 GLY H H 97 8.600 8.156 0.444 1 1 902 . 6 1 1 A 97 97 GLY HA2 H 97 3.580 3.915 -0.335 1 1 903 . 6 1 1 A 97 97 GLY HA3 H 97 4.500 3.925 0.575 1 1 904 . 6 1 1 A 97 97 GLY C C 97 174.800 175.264 -0.464 1 1 905 . 6 1 1 A 97 97 GLY CA C 97 44.000 47.329 -3.329 1 1 906 . 6 1 1 A 97 97 GLY N N 97 110.900 111.263 -0.363 1 1 907 . 6 1 1 A 98 98 ARG H H 98 9.400 8.466 0.934 1 1 908 . 6 1 1 A 98 98 ARG HA H 98 4.110 4.139 -0.029 1 1 911 . 6 1 1 A 98 98 ARG C C 98 175.700 176.701 -1.001 1 1 912 . 6 1 1 A 98 98 ARG CA C 98 58.800 58.798 0.002 1 1 913 . 6 1 1 A 98 98 ARG CB C 98 30.700 30.718 -0.018 1 1 914 . 6 1 1 A 98 98 ARG N N 98 125.500 126.225 -0.725 1 1 915 . 6 1 1 A 99 99 ARG H H 99 8.180 7.874 0.306 1 1 916 . 6 1 1 A 99 99 ARG HA H 99 4.640 4.740 -0.100 1 1 919 . 6 1 1 A 99 99 ARG C C 99 175.000 175.884 -0.884 1 1 920 . 6 1 1 A 99 99 ARG CA C 99 53.100 54.432 -1.332 1 1 921 . 6 1 1 A 99 99 ARG CB C 99 33.200 33.984 -0.784 1 1 922 . 6 1 1 A 99 99 ARG N N 99 114.300 117.651 -3.351 1 1 923 . 6 1 1 A 100 100 GLN H H 100 8.710 8.474 0.236 1 1 924 . 6 1 1 A 100 100 GLN HA H 100 3.620 4.842 -1.222 1 1 929 . 6 1 1 A 100 100 GLN C C 100 173.900 175.093 -1.193 1 1 930 . 6 1 1 A 100 100 GLN CA C 100 56.400 55.854 0.546 1 1 931 . 6 1 1 A 100 100 GLN CB C 100 29.600 28.839 0.761 1 1 933 . 6 1 1 A 100 100 GLN N N 100 121.700 121.683 0.017 1 1 934 . 6 1 1 A 101 101 HIS H H 101 7.900 8.895 -0.995 1 1 935 . 6 1 1 A 101 101 HIS HA H 101 4.530 4.896 -0.366 1 1 939 . 6 1 1 A 101 101 HIS C C 101 173.100 173.955 -0.855 1 1 940 . 6 1 1 A 101 101 HIS CA C 101 55.100 54.850 0.250 1 1 941 . 6 1 1 A 101 101 HIS CB C 101 32.100 31.189 0.911 1 1 942 . 6 1 1 A 101 101 HIS N N 101 130.600 125.753 4.847 1 1 943 . 6 1 1 A 102 102 LEU H H 102 8.080 8.508 -0.428 1 1 944 . 6 1 1 A 102 102 LEU HA H 102 4.060 4.320 -0.260 1 1 948 . 6 1 1 A 102 102 LEU C C 102 177.200 175.847 1.353 1 1 949 . 6 1 1 A 102 102 LEU CA C 102 54.900 55.162 -0.262 1 1 950 . 6 1 1 A 102 102 LEU CB C 102 41.600 42.438 -0.838 1 1 951 . 6 1 1 A 102 102 LEU N N 102 121.400 129.197 -7.797 1 1 952 . 6 1 1 A 103 103 LEU H H 103 8.260 8.669 -0.409 1 1 953 . 6 1 1 A 103 103 LEU HA H 103 4.490 4.438 0.052 1 1 963 . 6 1 1 A 103 103 LEU C C 103 177.100 177.136 -0.036 1 1 964 . 6 1 1 A 103 103 LEU CA C 103 53.400 54.639 -1.239 1 1 965 . 6 1 1 A 103 103 LEU CB C 103 42.600 42.427 0.173 1 1 969 . 6 1 1 A 103 103 LEU N N 103 123.000 128.887 -5.887 1 1 970 . 6 1 1 A 104 104 GLY H H 104 8.820 8.598 0.222 1 1 971 . 6 1 1 A 104 104 GLY HA2 H 104 3.930 4.214 -0.284 1 1 972 . 6 1 1 A 104 104 GLY HA3 H 104 4.440 4.224 0.216 1 1 973 . 6 1 1 A 104 104 GLY CA C 104 44.500 43.694 0.806 1 1 974 . 6 1 1 A 104 104 GLY N N 104 110.200 109.534 0.666 1 1 975 . 6 1 1 A 105 105 PRO HA H 105 4.230 4.498 -0.268 1 1 978 . 6 1 1 A 105 105 PRO C C 105 178.900 177.300 1.600 1 1 979 . 6 1 1 A 105 105 PRO CA C 105 65.200 64.364 0.836 1 1 980 . 6 1 1 A 105 105 PRO CB C 105 31.900 31.628 0.272 1 1 981 . 6 1 1 A 106 106 GLU H H 106 9.150 8.412 0.738 1 1 982 . 6 1 1 A 106 106 GLU HA H 106 4.080 4.195 -0.115 1 1 987 . 6 1 1 A 106 106 GLU C C 106 178.500 177.662 0.838 1 1 988 . 6 1 1 A 106 106 GLU CA C 106 58.600 58.038 0.562 1 1 989 . 6 1 1 A 106 106 GLU CB C 106 28.500 29.711 -1.211 1 1 991 . 6 1 1 A 106 106 GLU N N 106 115.400 117.689 -2.289 1 1 992 . 6 1 1 A 107 107 GLN H H 107 7.680 8.076 -0.396 1 1 993 . 6 1 1 A 107 107 GLN HA H 107 4.160 4.377 -0.217 1 1 998 . 6 1 1 A 107 107 GLN C C 107 175.200 177.798 -2.598 1 1 999 . 6 1 1 A 107 107 GLN CA C 107 58.500 57.439 1.061 1 1 1000 . 6 1 1 A 107 107 GLN CB C 107 29.400 29.783 -0.383 1 1 1002 . 6 1 1 A 107 107 GLN N N 107 116.100 117.639 -1.539 1 1 1003 . 6 1 1 A 108 108 VAL H H 108 7.080 7.608 -0.528 1 1 1004 . 6 1 1 A 108 108 VAL HA H 108 4.270 4.106 0.164 1 1 1012 . 6 1 1 A 108 108 VAL C C 108 177.500 177.510 -0.010 1 1 1013 . 6 1 1 A 108 108 VAL CA C 108 62.000 63.502 -1.502 1 1 1014 . 6 1 1 A 108 108 VAL CB C 108 33.000 31.778 1.222 1 1 1017 . 6 1 1 A 108 108 VAL N N 108 104.800 115.563 -10.763 1 1 1018 . 6 1 1 A 109 109 ARG H H 109 8.220 7.989 0.231 1 1 1019 . 6 1 1 A 109 109 ARG HA H 109 4.060 4.119 -0.059 1 1 1024 . 6 1 1 A 109 109 ARG CA C 109 61.700 61.243 0.457 1 1 1025 . 6 1 1 A 109 109 ARG CB C 109 27.600 27.967 -0.367 1 1 1027 . 6 1 1 A 109 109 ARG N N 109 123.100 122.566 0.534 1 1 1028 . 6 1 1 A 110 110 PRO HA H 110 4.290 4.403 -0.113 1 1 1035 . 6 1 1 A 110 110 PRO C C 110 173.000 179.350 -6.350 1 1 1036 . 6 1 1 A 110 110 PRO CA C 110 65.800 65.909 -0.109 1 1 1037 . 6 1 1 A 110 110 PRO CB C 110 31.400 31.166 0.234 1 1 1040 . 6 1 1 A 111 111 LEU H H 111 7.080 7.618 -0.538 1 1 1041 . 6 1 1 A 111 111 LEU HA H 111 4.050 4.011 0.039 1 1 1051 . 6 1 1 A 111 111 LEU C C 111 178.800 178.602 0.198 1 1 1052 . 6 1 1 A 111 111 LEU CA C 111 57.400 57.441 -0.041 1 1 1053 . 6 1 1 A 111 111 LEU CB C 111 40.100 41.920 -1.820 1 1 1056 . 6 1 1 A 111 111 LEU N N 111 117.700 116.812 0.888 1 1 1057 . 6 1 1 A 112 112 LEU H H 112 7.950 8.474 -0.524 1 1 1058 . 6 1 1 A 112 112 LEU HA H 112 4.050 3.974 0.076 1 1 1068 . 6 1 1 A 112 112 LEU C C 112 169.000 178.434 -9.434 1 1 1069 . 6 1 1 A 112 112 LEU CA C 112 58.000 57.505 0.495 1 1 1070 . 6 1 1 A 112 112 LEU CB C 112 41.100 41.163 -0.063 1 1 1074 . 6 1 1 A 112 112 LEU N N 112 121.700 121.025 0.675 1 1 1075 . 6 1 1 A 113 113 ALA H H 113 8.230 8.099 0.131 1 1 1076 . 6 1 1 A 113 113 ALA HA H 113 4.110 4.099 0.011 1 1 1080 . 6 1 1 A 113 113 ALA C C 113 178.700 179.287 -0.587 1 1 1081 . 6 1 1 A 113 113 ALA CA C 113 54.400 54.891 -0.491 1 1 1082 . 6 1 1 A 113 113 ALA CB C 113 18.100 18.116 -0.016 1 1 1083 . 6 1 1 A 113 113 ALA N N 113 120.900 120.539 0.361 1 1 1084 . 6 1 1 A 114 114 MET H H 114 7.270 7.784 -0.514 1 1 1085 . 6 1 1 A 114 114 MET HA H 114 4.490 4.514 -0.024 1 1 1093 . 6 1 1 A 114 114 MET C C 114 175.100 176.651 -1.551 1 1 1094 . 6 1 1 A 114 114 MET CA C 114 55.100 55.933 -0.833 1 1 1095 . 6 1 1 A 114 114 MET CB C 114 33.700 33.291 0.409 1 1 1098 . 6 1 1 A 114 114 MET N N 114 115.100 115.698 -0.598 1 1 1099 . 6 1 1 A 115 115 GLY H H 115 7.830 7.892 -0.062 1 1 1100 . 6 1 1 A 115 115 GLY HA2 H 115 3.660 3.918 -0.258 1 1 1101 . 6 1 1 A 115 115 GLY HA3 H 115 4.060 3.918 0.142 1 1 1102 . 6 1 1 A 115 115 GLY C C 115 173.700 174.476 -0.776 1 1 1103 . 6 1 1 A 115 115 GLY CA C 115 45.600 44.974 0.626 1 1 1104 . 6 1 1 A 115 115 GLY N N 115 106.300 106.383 -0.083 1 1 1105 . 6 1 1 A 116 116 VAL H H 116 7.710 7.672 0.038 1 1 1106 . 6 1 1 A 116 116 VAL HA H 116 3.820 4.059 -0.239 1 1 1114 . 6 1 1 A 116 116 VAL C C 116 174.800 175.483 -0.683 1 1 1115 . 6 1 1 A 116 116 VAL CA C 116 61.200 62.623 -1.423 1 1 1116 . 6 1 1 A 116 116 VAL CB C 116 32.800 31.291 1.509 1 1 1119 . 6 1 1 A 116 116 VAL N N 116 123.600 122.458 1.142 1 1 1120 . 6 1 1 A 117 117 GLY H H 117 7.730 8.923 -1.193 1 1 1121 . 6 1 1 A 117 117 GLY HA2 H 117 3.570 3.982 -0.412 1 1 1122 . 6 1 1 A 117 117 GLY HA3 H 117 4.040 3.985 0.055 1 1 1123 . 6 1 1 A 117 117 GLY C C 117 172.600 173.022 -0.422 1 1 1124 . 6 1 1 A 117 117 GLY CA C 117 45.500 45.812 -0.312 1 1 1125 . 6 1 1 A 117 117 GLY N N 117 111.400 114.803 -3.403 1 1 1126 . 6 1 1 A 118 118 VAL H H 118 7.740 8.921 -1.181 1 1 1127 . 6 1 1 A 118 118 VAL HA H 118 5.100 4.626 0.474 1 1 1135 . 6 1 1 A 118 118 VAL C C 118 175.500 175.197 0.303 1 1 1136 . 6 1 1 A 118 118 VAL CA C 118 61.000 62.532 -1.532 1 1 1137 . 6 1 1 A 118 118 VAL CB C 118 34.300 31.679 2.621 1 1 1140 . 6 1 1 A 118 118 VAL N N 118 120.900 127.256 -6.356 1 1 1141 . 6 1 1 A 119 119 GLU H H 119 8.490 9.517 -1.027 1 1 1142 . 6 1 1 A 119 119 GLU HA H 119 4.630 4.913 -0.283 1 1 1147 . 6 1 1 A 119 119 GLU C C 119 173.500 175.249 -1.749 1 1 1148 . 6 1 1 A 119 119 GLU CA C 119 54.600 54.881 -0.281 1 1 1149 . 6 1 1 A 119 119 GLU CB C 119 32.300 32.865 -0.565 1 1 1151 . 6 1 1 A 119 119 GLU N N 119 127.000 127.435 -0.435 1 1 1152 . 6 1 1 A 120 120 ALA H H 120 8.600 8.936 -0.336 1 1 1153 . 6 1 1 A 120 120 ALA HA H 120 5.530 5.532 -0.002 1 1 1157 . 6 1 1 A 120 120 ALA C C 120 177.100 176.418 0.682 1 1 1158 . 6 1 1 A 120 120 ALA CA C 120 50.300 50.230 0.070 1 1 1159 . 6 1 1 A 120 120 ALA CB C 120 20.800 21.146 -0.346 1 1 1160 . 6 1 1 A 120 120 ALA N N 120 126.500 125.325 1.175 1 1 1161 . 6 1 1 A 121 121 MET H H 121 9.430 9.204 0.226 1 1 1162 . 6 1 1 A 121 121 MET HA H 121 4.630 4.929 -0.299 1 1 1170 . 6 1 1 A 121 121 MET C C 121 173.300 174.975 -1.675 1 1 1171 . 6 1 1 A 121 121 MET CA C 121 54.600 54.228 0.372 1 1 1172 . 6 1 1 A 121 121 MET CB C 121 36.800 37.513 -0.713 1 1 1175 . 6 1 1 A 121 121 MET N N 121 120.400 120.509 -0.109 1 1 1176 . 6 1 1 A 122 122 ASP H H 122 8.460 8.921 -0.461 1 1 1177 . 6 1 1 A 122 122 ASP HA H 122 4.170 4.962 -0.792 1 1 1180 . 6 1 1 A 122 122 ASP C C 122 175.200 177.383 -2.183 1 1 1181 . 6 1 1 A 122 122 ASP CA C 122 55.000 53.042 1.958 1 1 1182 . 6 1 1 A 122 122 ASP CB C 122 41.000 41.473 -0.473 1 1 1183 . 6 1 1 A 122 122 ASP N N 122 116.700 120.250 -3.550 1 1 1184 . 6 1 1 A 123 123 THR H H 123 9.580 8.751 0.829 1 1 1185 . 6 1 1 A 123 123 THR HA H 123 3.670 3.963 -0.293 1 1 1191 . 6 1 1 A 123 123 THR C C 123 174.400 176.257 -1.857 1 1 1192 . 6 1 1 A 123 123 THR CA C 123 68.700 66.015 2.685 1 1 1193 . 6 1 1 A 123 123 THR CB C 123 68.800 68.798 0.002 1 1 1195 . 6 1 1 A 123 123 THR N N 123 119.600 115.085 4.515 1 1 1196 . 6 1 1 A 124 124 GLN H H 124 8.580 7.571 1.009 1 1 1197 . 6 1 1 A 124 124 GLN HA H 124 3.240 3.528 -0.288 1 1 1202 . 6 1 1 A 124 124 GLN C C 124 177.700 177.369 0.331 1 1 1203 . 6 1 1 A 124 124 GLN CA C 124 60.100 58.370 1.730 1 1 1204 . 6 1 1 A 124 124 GLN CB C 124 27.400 28.668 -1.268 1 1 1206 . 6 1 1 A 124 124 GLN N N 124 121.500 120.391 1.109 1 1 1207 . 6 1 1 A 125 125 ALA H H 125 8.210 8.458 -0.248 1 1 1208 . 6 1 1 A 125 125 ALA HA H 125 3.960 4.079 -0.119 1 1 1212 . 6 1 1 A 125 125 ALA C C 125 167.800 180.357 -12.557 1 1 1213 . 6 1 1 A 125 125 ALA CA C 125 54.800 54.886 -0.086 1 1 1214 . 6 1 1 A 125 125 ALA CB C 125 18.700 18.167 0.533 1 1 1215 . 6 1 1 A 125 125 ALA N N 125 122.600 121.426 1.174 1 1 1216 . 6 1 1 A 126 126 ALA H H 126 8.900 8.033 0.867 1 1 1217 . 6 1 1 A 126 126 ALA HA H 126 4.110 4.037 0.073 1 1 1221 . 6 1 1 A 126 126 ALA C C 126 178.500 179.146 -0.646 1 1 1222 . 6 1 1 A 126 126 ALA CA C 126 55.300 55.148 0.152 1 1 1223 . 6 1 1 A 126 126 ALA CB C 126 18.100 18.565 -0.465 1 1 1224 . 6 1 1 A 126 126 ALA N N 126 124.600 120.853 3.747 1 1 1225 . 6 1 1 A 127 127 ALA H H 127 8.440 7.980 0.460 1 1 1226 . 6 1 1 A 127 127 ALA HA H 127 3.850 4.035 -0.185 1 1 1230 . 6 1 1 A 127 127 ALA C C 127 178.400 180.101 -1.701 1 1 1231 . 6 1 1 A 127 127 ALA CA C 127 55.500 55.215 0.285 1 1 1232 . 6 1 1 A 127 127 ALA CB C 127 18.500 18.078 0.422 1 1 1233 . 6 1 1 A 127 127 ALA N N 127 120.200 120.043 0.157 1 1 1234 . 6 1 1 A 128 128 ARG H H 128 7.790 7.840 -0.050 1 1 1235 . 6 1 1 A 128 128 ARG HA H 128 4.020 3.987 0.033 1 1 1240 . 6 1 1 A 128 128 ARG C C 128 179.400 178.981 0.419 1 1 1241 . 6 1 1 A 128 128 ARG CA C 128 59.600 59.672 -0.072 1 1 1242 . 6 1 1 A 128 128 ARG CB C 128 30.800 30.000 0.800 1 1 1244 . 6 1 1 A 128 128 ARG N N 128 115.900 118.114 -2.214 1 1 1245 . 6 1 1 A 129 129 THR H H 129 8.440 8.037 0.403 1 1 1246 . 6 1 1 A 129 129 THR HA H 129 3.770 3.977 -0.207 1 1 1251 . 6 1 1 A 129 129 THR C C 129 175.300 176.066 -0.766 1 1 1252 . 6 1 1 A 129 129 THR CA C 129 67.300 66.402 0.898 1 1 1253 . 6 1 1 A 129 129 THR CB C 129 68.300 68.468 -0.168 1 1 1255 . 6 1 1 A 129 129 THR N N 129 116.400 116.449 -0.049 1 1 1256 . 6 1 1 A 130 130 TYR H H 130 8.790 8.450 0.340 1 1 1257 . 6 1 1 A 130 130 TYR HA H 130 3.600 4.076 -0.476 1 1 1262 . 6 1 1 A 130 130 TYR C C 130 175.500 177.333 -1.833 1 1 1263 . 6 1 1 A 130 130 TYR CA C 130 62.600 62.307 0.293 1 1 1264 . 6 1 1 A 130 130 TYR CB C 130 37.500 38.605 -1.105 1 1 1265 . 6 1 1 A 130 130 TYR N N 130 123.500 122.319 1.181 1 1 1266 . 6 1 1 A 131 131 ASN H H 131 7.800 8.130 -0.330 1 1 1267 . 6 1 1 A 131 131 ASN HA H 131 4.220 4.211 0.009 1 1 1270 . 6 1 1 A 131 131 ASN C C 131 179.200 177.893 1.307 1 1 1271 . 6 1 1 A 131 131 ASN CA C 131 55.500 56.216 -0.716 1 1 1272 . 6 1 1 A 131 131 ASN CB C 131 37.100 38.012 -0.912 1 1 1273 . 6 1 1 A 131 131 ASN N N 131 117.700 117.791 -0.091 1 1 1274 . 6 1 1 A 132 132 ILE H H 132 7.520 7.502 0.018 1 1 1275 . 6 1 1 A 132 132 ILE HA H 132 3.710 3.659 0.051 1 1 1285 . 6 1 1 A 132 132 ILE C C 132 178.100 178.456 -0.356 1 1 1286 . 6 1 1 A 132 132 ILE CA C 132 64.900 65.071 -0.171 1 1 1287 . 6 1 1 A 132 132 ILE CB C 132 38.500 37.983 0.517 1 1 1291 . 6 1 1 A 132 132 ILE N N 132 121.000 120.261 0.739 1 1 1292 . 6 1 1 A 133 133 LEU H H 133 8.420 8.632 -0.212 1 1 1293 . 6 1 1 A 133 133 LEU HA H 133 3.910 4.181 -0.271 1 1 1303 . 6 1 1 A 133 133 LEU C C 133 179.600 178.428 1.172 1 1 1304 . 6 1 1 A 133 133 LEU CA C 133 57.900 57.620 0.280 1 1 1305 . 6 1 1 A 133 133 LEU CB C 133 41.700 41.442 0.258 1 1 1309 . 6 1 1 A 133 133 LEU N N 133 120.500 121.202 -0.702 1 1 1310 . 6 1 1 A 134 134 MET H H 134 8.990 8.498 0.492 1 1 1311 . 6 1 1 A 134 134 MET HA H 134 3.870 4.056 -0.186 1 1 1319 . 6 1 1 A 134 134 MET C C 134 167.400 177.800 -10.400 1 1 1320 . 6 1 1 A 134 134 MET CA C 134 58.400 58.281 0.119 1 1 1321 . 6 1 1 A 134 134 MET CB C 134 30.700 31.953 -1.253 1 1 1324 . 6 1 1 A 134 134 MET N N 134 119.900 118.910 0.990 1 1 1325 . 6 1 1 A 135 135 ALA H H 135 7.490 7.739 -0.249 1 1 1326 . 6 1 1 A 135 135 ALA HA H 135 4.060 3.939 0.121 1 1 1330 . 6 1 1 A 135 135 ALA C C 135 179.100 179.747 -0.647 1 1 1331 . 6 1 1 A 135 135 ALA CA C 135 54.700 55.226 -0.526 1 1 1332 . 6 1 1 A 135 135 ALA CB C 135 18.000 18.140 -0.140 1 1 1333 . 6 1 1 A 135 135 ALA N N 135 124.600 121.396 3.204 1 1 1334 . 6 1 1 A 136 136 GLU H H 136 7.540 7.591 -0.051 1 1 1335 . 6 1 1 A 136 136 GLU HA H 136 4.230 4.144 0.086 1 1 1340 . 6 1 1 A 136 136 GLU C C 136 176.900 176.940 -0.040 1 1 1341 . 6 1 1 A 136 136 GLU CA C 136 56.400 56.766 -0.366 1 1 1342 . 6 1 1 A 136 136 GLU CB C 136 30.300 29.608 0.692 1 1 1344 . 6 1 1 A 136 136 GLU N N 136 116.500 115.536 0.964 1 1 1345 . 6 1 1 A 137 137 GLY H H 137 7.870 7.688 0.182 1 1 1346 . 6 1 1 A 137 137 GLY HA2 H 137 3.760 3.924 -0.164 1 1 1347 . 6 1 1 A 137 137 GLY HA3 H 137 4.140 3.934 0.206 1 1 1348 . 6 1 1 A 137 137 GLY C C 137 175.100 174.214 0.886 1 1 1349 . 6 1 1 A 137 137 GLY CA C 137 45.600 45.541 0.059 1 1 1350 . 6 1 1 A 137 137 GLY N N 137 107.100 107.998 -0.898 1 1 1351 . 6 1 1 A 138 138 ARG H H 138 7.580 7.167 0.413 1 1 1352 . 6 1 1 A 138 138 ARG HA H 138 4.270 4.491 -0.221 1 1 1357 . 6 1 1 A 138 138 ARG C C 138 176.900 175.830 1.070 1 1 1358 . 6 1 1 A 138 138 ARG CA C 138 54.500 55.083 -0.583 1 1 1359 . 6 1 1 A 138 138 ARG CB C 138 30.100 31.598 -1.498 1 1 1361 . 6 1 1 A 138 138 ARG N N 138 118.100 119.948 -1.848 1 1 1362 . 6 1 1 A 139 139 ARG H H 139 9.240 8.507 0.733 1 1 1363 . 6 1 1 A 139 139 ARG HA H 139 4.470 4.485 -0.015 1 1 1370 . 6 1 1 A 139 139 ARG C C 139 174.400 175.397 -0.997 1 1 1371 . 6 1 1 A 139 139 ARG CA C 139 55.700 55.847 -0.147 1 1 1372 . 6 1 1 A 139 139 ARG CB C 139 28.000 30.652 -2.652 1 1 1375 . 6 1 1 A 139 139 ARG N N 139 124.400 122.410 1.990 1 1 1376 . 6 1 1 A 140 140 VAL H H 140 7.250 8.654 -1.404 1 1 1377 . 6 1 1 A 140 140 VAL HA H 140 5.180 5.242 -0.062 1 1 1385 . 6 1 1 A 140 140 VAL C C 140 172.800 173.849 -1.049 1 1 1386 . 6 1 1 A 140 140 VAL CA C 140 57.700 60.087 -2.387 1 1 1387 . 6 1 1 A 140 140 VAL CB C 140 34.700 35.131 -0.431 1 1 1390 . 6 1 1 A 140 140 VAL N N 140 121.900 122.713 -0.813 1 1 1391 . 6 1 1 A 141 141 VAL H H 141 8.180 8.793 -0.613 1 1 1392 . 6 1 1 A 141 141 VAL HA H 141 4.510 4.655 -0.145 1 1 1400 . 6 1 1 A 141 141 VAL C C 141 172.600 174.238 -1.638 1 1 1401 . 6 1 1 A 141 141 VAL CA C 141 60.300 61.011 -0.711 1 1 1402 . 6 1 1 A 141 141 VAL CB C 141 35.600 33.898 1.702 1 1 1405 . 6 1 1 A 141 141 VAL N N 141 123.900 128.142 -4.242 1 1 1406 . 6 1 1 A 142 142 VAL H H 142 8.430 8.754 -0.324 1 1 1407 . 6 1 1 A 142 142 VAL HA H 142 5.220 4.990 0.230 1 1 1415 . 6 1 1 A 142 142 VAL C C 142 170.000 172.809 -2.809 1 1 1416 . 6 1 1 A 142 142 VAL CA C 142 57.600 58.884 -1.284 1 1 1417 . 6 1 1 A 142 142 VAL CB C 142 35.500 33.951 1.549 1 1 1420 . 6 1 1 A 142 142 VAL N N 142 124.600 127.003 -2.403 1 1 1421 . 6 1 1 A 143 143 ALA H H 143 8.220 8.993 -0.773 1 1 1422 . 6 1 1 A 143 143 ALA HA H 143 4.680 5.049 -0.369 1 1 1426 . 6 1 1 A 143 143 ALA C C 143 175.400 175.544 -0.144 1 1 1427 . 6 1 1 A 143 143 ALA CA C 143 49.900 49.873 0.027 1 1 1428 . 6 1 1 A 143 143 ALA CB C 143 19.600 20.582 -0.982 1 1 1429 . 6 1 1 A 143 143 ALA N N 143 129.100 130.739 -1.639 1 1 1430 . 6 1 1 A 144 144 LEU H H 144 9.070 9.522 -0.452 1 1 1431 . 6 1 1 A 144 144 LEU HA H 144 4.840 5.098 -0.258 1 1 1441 . 6 1 1 A 144 144 LEU CA C 144 53.400 53.355 0.045 1 1 1442 . 6 1 1 A 144 144 LEU CB C 144 46.500 43.573 2.927 1 1 1445 . 6 1 1 A 144 144 LEU N N 144 119.600 124.092 -4.492 1 1 1446 . 6 1 1 A 145 145 LEU HA H 145 4.830 4.898 -0.068 1 1 1456 . 6 1 1 A 145 145 LEU CA C 145 51.800 51.099 0.701 1 1 1457 . 6 1 1 A 145 145 LEU CB C 145 41.700 42.527 -0.827 1 1 1461 . 6 1 1 A 146 146 PRO HA H 146 4.330 4.536 -0.206 1 1 1466 . 6 1 1 A 146 146 PRO C C 146 175.700 176.908 -1.208 1 1 1467 . 6 1 1 A 146 146 PRO CA C 146 62.800 62.518 0.282 1 1 1468 . 6 1 1 A 146 146 PRO CB C 146 31.500 32.742 -1.242 1 1 1470 . 6 1 1 A 147 147 ASP H H 147 8.660 9.016 -0.356 1 1 1471 . 6 1 1 A 147 147 ASP HA H 147 4.510 4.233 0.277 1 1 1474 . 6 1 1 A 147 147 ASP C C 147 176.300 175.709 0.591 1 1 1475 . 6 1 1 A 147 147 ASP CA C 147 54.300 54.842 -0.542 1 1 1476 . 6 1 1 A 147 147 ASP CB C 147 42.100 39.603 2.497 1 1 1477 . 6 1 1 A 147 147 ASP N N 147 120.700 122.411 -1.711 1 1 1478 . 6 1 1 A 148 148 GLY H H 148 8.310 8.411 -0.101 1 1 1479 . 6 1 1 A 148 148 GLY HA2 H 148 4.020 4.048 -0.028 1 1 1480 . 6 1 1 A 148 148 GLY HA3 H 148 4.050 4.053 -0.003 1 1 1481 . 6 1 1 A 148 148 GLY C C 148 173.600 174.301 -0.701 1 1 1482 . 6 1 1 A 148 148 GLY CA C 148 45.200 45.972 -0.772 1 1 1483 . 6 1 1 A 148 148 GLY N N 148 109.400 112.555 -3.155 1 1 1484 . 6 1 1 A 149 149 ASP H H 149 8.550 8.668 -0.118 1 1 1485 . 6 1 1 A 149 149 ASP HA H 149 4.650 4.498 0.152 1 1 1488 . 6 1 1 A 149 149 ASP C C 149 176.700 176.639 0.061 1 1 1489 . 6 1 1 A 149 149 ASP CA C 149 54.500 56.437 -1.937 1 1 1490 . 6 1 1 A 149 149 ASP CB C 149 41.600 41.048 0.552 1 1 1491 . 6 1 1 A 149 149 ASP N N 149 120.800 122.453 -1.653 1 1 1492 . 6 1 1 A 150 150 SER H H 150 8.600 7.658 0.942 1 1 1493 . 6 1 1 A 150 150 SER HA H 150 4.350 4.504 -0.154 1 1 1496 . 6 1 1 A 150 150 SER C C 150 175.000 173.277 1.723 1 1 1497 . 6 1 1 A 150 150 SER CA C 150 58.900 57.195 1.705 1 1 1498 . 6 1 1 A 150 150 SER CB C 150 63.500 63.751 -0.251 1 1 1499 . 6 1 1 A 150 150 SER N N 150 116.400 114.563 1.837 1 1 1500 . 6 1 1 A 151 151 LEU H H 151 8.290 8.774 -0.484 1 1 1501 . 6 1 1 A 151 151 LEU CA C 151 55.500 53.208 2.292 1 1 1502 . 6 1 1 A 151 151 LEU CB C 151 41.900 44.863 -2.963 1 1 5 . 7 1 1 A 4 4 HIS C C 4 174.800 174.429 0.371 1 1 6 . 7 1 1 A 4 4 HIS CA C 4 55.900 55.118 0.782 1 1 7 . 7 1 1 A 4 4 HIS CB C 4 30.000 29.199 0.801 1 1 8 . 7 1 1 A 5 5 THR H H 5 7.990 7.533 0.457 1 1 9 . 7 1 1 A 5 5 THR C C 5 173.800 172.186 1.614 1 1 10 . 7 1 1 A 5 5 THR CA C 5 61.500 60.806 0.694 1 1 11 . 7 1 1 A 5 5 THR CB C 5 69.900 70.736 -0.836 1 1 12 . 7 1 1 A 5 5 THR N N 5 115.300 113.700 1.600 1 1 13 . 7 1 1 A 6 6 ASP H H 6 8.370 8.738 -0.368 1 1 14 . 7 1 1 A 6 6 ASP HA H 6 4.860 4.899 -0.039 1 1 17 . 7 1 1 A 6 6 ASP CA C 6 52.500 52.885 -0.385 1 1 18 . 7 1 1 A 6 6 ASP CB C 6 41.100 39.693 1.407 1 1 19 . 7 1 1 A 6 6 ASP N N 6 124.400 125.016 -0.616 1 1 20 . 7 1 1 A 7 7 PRO HA H 7 4.350 4.403 -0.053 1 1 26 . 7 1 1 A 7 7 PRO C C 7 176.900 176.795 0.105 1 1 27 . 7 1 1 A 7 7 PRO CA C 7 63.500 63.084 0.416 1 1 28 . 7 1 1 A 7 7 PRO CB C 7 32.100 31.619 0.481 1 1 31 . 7 1 1 A 8 8 ALA H H 8 8.420 8.230 0.190 1 1 32 . 7 1 1 A 8 8 ALA HA H 8 4.260 4.290 -0.030 1 1 36 . 7 1 1 A 8 8 ALA C C 8 178.100 177.423 0.677 1 1 37 . 7 1 1 A 8 8 ALA CA C 8 52.900 52.367 0.533 1 1 38 . 7 1 1 A 8 8 ALA CB C 8 19.200 18.823 0.377 1 1 39 . 7 1 1 A 8 8 ALA N N 8 122.700 125.986 -3.286 1 1 40 . 7 1 1 A 9 9 THR H H 9 7.880 9.069 -1.189 1 1 41 . 7 1 1 A 9 9 THR HA H 9 4.230 4.301 -0.071 1 1 46 . 7 1 1 A 9 9 THR C C 9 173.800 173.957 -0.157 1 1 47 . 7 1 1 A 9 9 THR CA C 9 61.700 62.633 -0.933 1 1 48 . 7 1 1 A 9 9 THR CB C 9 69.700 69.379 0.321 1 1 50 . 7 1 1 A 9 9 THR N N 9 112.900 117.630 -4.730 1 1 51 . 7 1 1 A 10 10 ALA H H 10 8.160 8.419 -0.259 1 1 52 . 7 1 1 A 10 10 ALA HA H 10 4.340 4.317 0.023 1 1 56 . 7 1 1 A 10 10 ALA C C 10 177.000 177.497 -0.497 1 1 57 . 7 1 1 A 10 10 ALA CA C 10 52.300 52.788 -0.488 1 1 58 . 7 1 1 A 10 10 ALA CB C 10 19.400 19.162 0.238 1 1 59 . 7 1 1 A 10 10 ALA N N 10 127.000 127.503 -0.503 1 1 60 . 7 1 1 A 11 11 LEU H H 11 8.040 8.581 -0.541 1 1 61 . 7 1 1 A 11 11 LEU HA H 11 4.640 4.280 0.360 1 1 70 . 7 1 1 A 11 11 LEU C C 11 178.300 176.640 1.660 1 1 71 . 7 1 1 A 11 11 LEU CA C 11 54.000 55.201 -1.201 1 1 72 . 7 1 1 A 11 11 LEU CB C 11 42.900 40.931 1.969 1 1 75 . 7 1 1 A 11 11 LEU N N 11 121.500 122.792 -1.292 1 1 76 . 7 1 1 A 12 12 ASN H H 12 9.700 8.909 0.791 1 1 77 . 7 1 1 A 12 12 ASN HA H 12 4.760 4.982 -0.222 1 1 80 . 7 1 1 A 12 12 ASN C C 12 174.700 174.475 0.225 1 1 81 . 7 1 1 A 12 12 ASN CA C 12 54.100 53.100 1.000 1 1 82 . 7 1 1 A 12 12 ASN CB C 12 38.100 39.189 -1.089 1 1 83 . 7 1 1 A 12 12 ASN N N 12 121.500 124.928 -3.428 1 1 84 . 7 1 1 A 13 13 THR H H 13 8.710 8.831 -0.121 1 1 85 . 7 1 1 A 13 13 THR HA H 13 4.760 4.974 -0.214 1 1 90 . 7 1 1 A 13 13 THR C C 13 173.600 173.795 -0.195 1 1 91 . 7 1 1 A 13 13 THR CA C 13 61.900 61.873 0.027 1 1 92 . 7 1 1 A 13 13 THR CB C 13 71.500 71.593 -0.093 1 1 94 . 7 1 1 A 13 13 THR N N 13 121.800 121.568 0.232 1 1 95 . 7 1 1 A 14 14 VAL H H 14 9.500 9.045 0.455 1 1 96 . 7 1 1 A 14 14 VAL HA H 14 4.660 3.925 0.735 1 1 104 . 7 1 1 A 14 14 VAL C C 14 177.000 177.277 -0.277 1 1 105 . 7 1 1 A 14 14 VAL CA C 14 63.800 63.542 0.258 1 1 106 . 7 1 1 A 14 14 VAL CB C 14 30.600 31.536 -0.936 1 1 109 . 7 1 1 A 14 14 VAL N N 14 126.700 126.070 0.630 1 1 110 . 7 1 1 A 15 15 THR H H 15 8.900 8.515 0.385 1 1 111 . 7 1 1 A 15 15 THR HA H 15 4.300 4.375 -0.075 1 1 116 . 7 1 1 A 15 15 THR C C 15 174.900 175.019 -0.119 1 1 117 . 7 1 1 A 15 15 THR CA C 15 62.800 62.903 -0.103 1 1 118 . 7 1 1 A 15 15 THR CB C 15 68.700 69.237 -0.537 1 1 120 . 7 1 1 A 15 15 THR N N 15 122.000 119.391 2.609 1 1 121 . 7 1 1 A 16 16 ALA H H 16 7.960 7.040 0.920 1 1 122 . 7 1 1 A 16 16 ALA HA H 16 4.360 4.665 -0.305 1 1 126 . 7 1 1 A 16 16 ALA C C 16 174.400 174.703 -0.303 1 1 127 . 7 1 1 A 16 16 ALA CA C 16 52.600 51.312 1.288 1 1 128 . 7 1 1 A 16 16 ALA CB C 16 21.900 22.761 -0.861 1 1 129 . 7 1 1 A 16 16 ALA N N 16 120.900 120.785 0.115 1 1 130 . 7 1 1 A 17 17 TYR H H 17 7.790 8.921 -1.131 1 1 131 . 7 1 1 A 17 17 TYR HA H 17 4.390 4.860 -0.470 1 1 136 . 7 1 1 A 17 17 TYR C C 17 173.000 176.149 -3.149 1 1 137 . 7 1 1 A 17 17 TYR CA C 17 56.400 57.057 -0.657 1 1 138 . 7 1 1 A 17 17 TYR CB C 17 39.700 39.200 0.500 1 1 141 . 7 1 1 A 17 17 TYR N N 17 114.800 120.061 -5.261 1 1 142 . 7 1 1 A 18 18 GLY H H 18 7.030 8.476 -1.446 1 1 143 . 7 1 1 A 18 18 GLY HA2 H 18 3.210 2.518 0.692 1 1 144 . 7 1 1 A 18 18 GLY HA3 H 18 3.900 3.587 0.313 1 1 145 . 7 1 1 A 18 18 GLY C C 18 172.200 173.774 -1.574 1 1 146 . 7 1 1 A 18 18 GLY CA C 18 44.900 44.652 0.248 1 1 147 . 7 1 1 A 18 18 GLY N N 18 108.600 112.731 -4.131 1 1 148 . 7 1 1 A 19 19 ASP H H 19 8.410 8.286 0.124 1 1 149 . 7 1 1 A 19 19 ASP HA H 19 4.320 4.238 0.082 1 1 152 . 7 1 1 A 19 19 ASP C C 19 176.500 175.285 1.215 1 1 153 . 7 1 1 A 19 19 ASP CA C 19 55.600 54.864 0.736 1 1 154 . 7 1 1 A 19 19 ASP CB C 19 39.500 39.828 -0.328 1 1 155 . 7 1 1 A 19 19 ASP N N 19 120.400 119.907 0.493 1 1 156 . 7 1 1 A 20 20 GLY H H 20 8.670 9.039 -0.369 1 1 157 . 7 1 1 A 20 20 GLY HA2 H 20 3.670 4.008 -0.338 1 1 158 . 7 1 1 A 20 20 GLY HA3 H 20 4.210 4.039 0.171 1 1 159 . 7 1 1 A 20 20 GLY C C 20 173.900 173.283 0.617 1 1 160 . 7 1 1 A 20 20 GLY CA C 20 45.800 45.319 0.481 1 1 161 . 7 1 1 A 20 20 GLY N N 20 113.500 108.068 5.432 1 1 162 . 7 1 1 A 21 21 TYR H H 21 7.530 7.102 0.428 1 1 163 . 7 1 1 A 21 21 TYR HA H 21 5.480 5.033 0.447 1 1 168 . 7 1 1 A 21 21 TYR C C 21 172.800 172.865 -0.065 1 1 169 . 7 1 1 A 21 21 TYR CA C 21 56.700 56.105 0.595 1 1 170 . 7 1 1 A 21 21 TYR CB C 21 41.400 40.454 0.946 1 1 173 . 7 1 1 A 21 21 TYR N N 21 114.300 114.469 -0.169 1 1 174 . 7 1 1 A 22 22 ILE H H 22 8.780 9.251 -0.471 1 1 175 . 7 1 1 A 22 22 ILE HA H 22 4.350 4.763 -0.413 1 1 185 . 7 1 1 A 22 22 ILE C C 22 173.800 174.514 -0.714 1 1 186 . 7 1 1 A 22 22 ILE CA C 22 60.200 60.107 0.093 1 1 187 . 7 1 1 A 22 22 ILE CB C 22 41.700 40.234 1.466 1 1 191 . 7 1 1 A 22 22 ILE N N 22 119.300 121.117 -1.817 1 1 192 . 7 1 1 A 23 23 GLU H H 23 9.010 8.713 0.297 1 1 193 . 7 1 1 A 23 23 GLU HA H 23 5.680 5.235 0.445 1 1 198 . 7 1 1 A 23 23 GLU C C 23 175.000 175.082 -0.082 1 1 199 . 7 1 1 A 23 23 GLU CA C 23 54.300 55.339 -1.039 1 1 200 . 7 1 1 A 23 23 GLU CB C 23 33.500 31.948 1.552 1 1 202 . 7 1 1 A 23 23 GLU N N 23 127.800 127.971 -0.171 1 1 203 . 7 1 1 A 24 24 VAL H H 24 8.980 9.058 -0.078 1 1 204 . 7 1 1 A 24 24 VAL HA H 24 4.840 4.381 0.459 1 1 212 . 7 1 1 A 24 24 VAL C C 24 177.300 176.343 0.957 1 1 213 . 7 1 1 A 24 24 VAL CA C 24 60.600 61.124 -0.524 1 1 214 . 7 1 1 A 24 24 VAL CB C 24 33.600 32.692 0.908 1 1 217 . 7 1 1 A 24 24 VAL N N 24 125.400 127.006 -1.606 1 1 218 . 7 1 1 A 25 25 ASN H H 25 9.340 8.974 0.366 1 1 219 . 7 1 1 A 25 25 ASN HA H 25 4.340 4.304 0.036 1 1 222 . 7 1 1 A 25 25 ASN C C 25 173.800 174.211 -0.411 1 1 223 . 7 1 1 A 25 25 ASN CA C 25 54.600 54.208 0.392 1 1 224 . 7 1 1 A 25 25 ASN CB C 25 36.600 37.238 -0.638 1 1 225 . 7 1 1 A 25 25 ASN N N 25 127.800 125.870 1.930 1 1 226 . 7 1 1 A 26 26 GLN H H 26 7.920 8.083 -0.163 1 1 227 . 7 1 1 A 26 26 GLN HA H 26 3.670 3.955 -0.285 1 1 232 . 7 1 1 A 26 26 GLN C C 26 174.400 174.908 -0.508 1 1 233 . 7 1 1 A 26 26 GLN CA C 26 58.100 57.589 0.511 1 1 234 . 7 1 1 A 26 26 GLN CB C 26 26.500 27.037 -0.537 1 1 236 . 7 1 1 A 26 26 GLN N N 26 104.100 109.887 -5.787 1 1 237 . 7 1 1 A 27 27 VAL H H 27 7.850 7.438 0.412 1 1 238 . 7 1 1 A 27 27 VAL HA H 27 3.900 3.889 0.011 1 1 246 . 7 1 1 A 27 27 VAL C C 27 174.200 175.045 -0.845 1 1 247 . 7 1 1 A 27 27 VAL CA C 27 62.100 62.250 -0.150 1 1 248 . 7 1 1 A 27 27 VAL CB C 27 32.500 31.560 0.940 1 1 251 . 7 1 1 A 27 27 VAL N N 27 123.100 120.809 2.291 1 1 252 . 7 1 1 A 28 28 ARG H H 28 8.430 8.650 -0.220 1 1 253 . 7 1 1 A 28 28 ARG HA H 28 4.320 4.734 -0.414 1 1 256 . 7 1 1 A 28 28 ARG C C 28 175.200 174.781 0.419 1 1 257 . 7 1 1 A 28 28 ARG CA C 28 57.100 55.056 2.044 1 1 258 . 7 1 1 A 28 28 ARG CB C 28 31.300 30.201 1.099 1 1 259 . 7 1 1 A 28 28 ARG N N 28 126.200 127.913 -1.713 1 1 260 . 7 1 1 A 29 29 PHE H H 29 9.290 9.438 -0.148 1 1 261 . 7 1 1 A 29 29 PHE HA H 29 4.580 4.774 -0.194 1 1 266 . 7 1 1 A 29 29 PHE C C 29 175.800 175.588 0.212 1 1 267 . 7 1 1 A 29 29 PHE CA C 29 57.700 57.154 0.546 1 1 268 . 7 1 1 A 29 29 PHE CB C 29 42.000 39.272 2.728 1 1 271 . 7 1 1 A 29 29 PHE N N 29 123.900 125.479 -1.579 1 1 272 . 7 1 1 A 30 30 SER H H 30 8.950 9.014 -0.064 1 1 273 . 7 1 1 A 30 30 SER HA H 30 5.130 4.853 0.277 1 1 276 . 7 1 1 A 30 30 SER C C 30 172.900 173.679 -0.779 1 1 277 . 7 1 1 A 30 30 SER CA C 30 57.000 58.485 -1.485 1 1 278 . 7 1 1 A 30 30 SER CB C 30 63.200 63.722 -0.522 1 1 279 . 7 1 1 A 30 30 SER N N 30 119.400 120.386 -0.986 1 1 280 . 7 1 1 A 31 31 HIS H H 31 7.170 7.401 -0.231 1 1 281 . 7 1 1 A 31 31 HIS HA H 31 4.840 5.219 -0.379 1 1 284 . 7 1 1 A 31 31 HIS C C 31 171.900 172.915 -1.015 1 1 285 . 7 1 1 A 31 31 HIS CA C 31 53.200 53.926 -0.726 1 1 286 . 7 1 1 A 31 31 HIS CB C 31 31.100 32.275 -1.175 1 1 287 . 7 1 1 A 31 31 HIS N N 31 114.600 117.030 -2.430 1 1 288 . 7 1 1 A 32 32 ALA H H 32 8.930 8.523 0.407 1 1 289 . 7 1 1 A 32 32 ALA HA H 32 5.050 4.783 0.267 1 1 293 . 7 1 1 A 32 32 ALA C C 32 179.000 177.758 1.242 1 1 294 . 7 1 1 A 32 32 ALA CA C 32 53.700 52.605 1.095 1 1 295 . 7 1 1 A 32 32 ALA CB C 32 20.700 19.582 1.118 1 1 296 . 7 1 1 A 32 32 ALA N N 32 120.200 122.901 -2.701 1 1 297 . 7 1 1 A 33 33 ILE H H 33 8.280 8.592 -0.312 1 1 298 . 7 1 1 A 33 33 ILE HA H 33 5.520 5.168 0.352 1 1 308 . 7 1 1 A 33 33 ILE C C 33 173.400 174.387 -0.987 1 1 309 . 7 1 1 A 33 33 ILE CA C 33 59.500 59.202 0.298 1 1 310 . 7 1 1 A 33 33 ILE CB C 33 44.500 42.022 2.478 1 1 313 . 7 1 1 A 33 33 ILE N N 33 115.800 117.444 -1.644 1 1 314 . 7 1 1 A 34 34 ALA H H 34 8.900 9.247 -0.347 1 1 315 . 7 1 1 A 34 34 ALA HA H 34 5.290 5.702 -0.412 1 1 319 . 7 1 1 A 34 34 ALA C C 34 176.100 175.975 0.125 1 1 320 . 7 1 1 A 34 34 ALA CA C 34 51.100 50.262 0.838 1 1 321 . 7 1 1 A 34 34 ALA CB C 34 21.900 20.670 1.230 1 1 322 . 7 1 1 A 34 34 ALA N N 34 121.600 125.281 -3.681 1 1 323 . 7 1 1 A 35 35 PHE H H 35 8.580 8.218 0.362 1 1 324 . 7 1 1 A 35 35 PHE HA H 35 4.740 5.613 -0.873 1 1 330 . 7 1 1 A 35 35 PHE C C 35 170.000 172.706 -2.706 1 1 331 . 7 1 1 A 35 35 PHE CA C 35 57.100 55.294 1.806 1 1 332 . 7 1 1 A 35 35 PHE CB C 35 39.700 42.569 -2.869 1 1 336 . 7 1 1 A 35 35 PHE N N 35 116.600 118.433 -1.833 1 1 337 . 7 1 1 A 36 36 ALA H H 36 8.730 8.631 0.099 1 1 338 . 7 1 1 A 36 36 ALA HA H 36 5.170 5.311 -0.141 1 1 342 . 7 1 1 A 36 36 ALA CA C 36 49.100 50.006 -0.906 1 1 343 . 7 1 1 A 36 36 ALA CB C 36 20.500 21.809 -1.309 1 1 344 . 7 1 1 A 36 36 ALA N N 36 123.400 120.827 2.573 1 1 345 . 7 1 1 A 37 37 PRO HA H 37 4.740 4.467 0.273 1 1 350 . 7 1 1 A 37 37 PRO C C 37 176.500 176.756 -0.256 1 1 351 . 7 1 1 A 37 37 PRO CA C 37 66.200 65.126 1.074 1 1 352 . 7 1 1 A 37 37 PRO CB C 37 33.600 31.909 1.691 1 1 354 . 7 1 1 A 38 38 GLU H H 38 7.450 8.504 -1.054 1 1 355 . 7 1 1 A 38 38 GLU HA H 38 4.790 4.501 0.289 1 1 360 . 7 1 1 A 38 38 GLU C C 38 177.300 176.344 0.956 1 1 361 . 7 1 1 A 38 38 GLU CA C 38 54.200 55.633 -1.433 1 1 362 . 7 1 1 A 38 38 GLU CB C 38 32.600 29.392 3.208 1 1 364 . 7 1 1 A 38 38 GLU N N 38 110.100 117.201 -7.101 1 1 365 . 7 1 1 A 39 39 GLY H H 39 8.600 8.239 0.361 1 1 366 . 7 1 1 A 39 39 GLY HA2 H 39 3.920 4.177 -0.257 1 1 367 . 7 1 1 A 39 39 GLY HA3 H 39 4.440 4.182 0.258 1 1 368 . 7 1 1 A 39 39 GLY CA C 39 44.400 45.063 -0.663 1 1 369 . 7 1 1 A 39 39 GLY N N 39 109.500 110.684 -1.184 1 1 370 . 7 1 1 A 40 40 PRO HA H 40 4.550 4.673 -0.123 1 1 375 . 7 1 1 A 40 40 PRO C C 40 177.100 175.331 1.769 1 1 376 . 7 1 1 A 40 40 PRO CA C 40 62.500 62.336 0.164 1 1 377 . 7 1 1 A 40 40 PRO CB C 40 32.700 33.128 -0.428 1 1 378 . 7 1 1 A 41 41 VAL H H 41 8.530 8.432 0.098 1 1 379 . 7 1 1 A 41 41 VAL HA H 41 3.900 4.480 -0.580 1 1 387 . 7 1 1 A 41 41 VAL C C 41 175.200 175.343 -0.143 1 1 388 . 7 1 1 A 41 41 VAL CA C 41 63.000 61.300 1.700 1 1 389 . 7 1 1 A 41 41 VAL CB C 41 31.100 32.607 -1.507 1 1 392 . 7 1 1 A 41 41 VAL N N 41 123.000 119.082 3.918 1 1 393 . 7 1 1 A 42 42 ALA H H 42 8.320 9.599 -1.279 1 1 394 . 7 1 1 A 42 42 ALA HA H 42 4.750 5.108 -0.358 1 1 398 . 7 1 1 A 42 42 ALA C C 42 177.400 176.605 0.795 1 1 399 . 7 1 1 A 42 42 ALA CA C 42 50.800 51.003 -0.203 1 1 400 . 7 1 1 A 42 42 ALA CB C 42 21.400 20.970 0.430 1 1 401 . 7 1 1 A 42 42 ALA N N 42 131.300 131.939 -0.639 1 1 402 . 7 1 1 A 43 43 SER H H 43 8.660 8.710 -0.050 1 1 403 . 7 1 1 A 43 43 SER HA H 43 4.690 5.264 -0.574 1 1 406 . 7 1 1 A 43 43 SER CA C 43 59.000 57.968 1.032 1 1 407 . 7 1 1 A 43 43 SER CB C 43 62.800 64.525 -1.725 1 1 408 . 7 1 1 A 43 43 SER N N 43 115.400 118.333 -2.933 1 1 409 . 7 1 1 A 44 44 TRP HA H 44 5.470 4.933 0.537 1 1 418 . 7 1 1 A 44 44 TRP CA C 44 52.200 55.391 -3.191 1 1 419 . 7 1 1 A 44 44 TRP CB C 44 31.000 30.521 0.479 1 1 426 . 7 1 1 A 45 45 PRO HA H 45 4.550 4.499 0.051 1 1 431 . 7 1 1 A 45 45 PRO C C 45 173.000 175.946 -2.946 1 1 432 . 7 1 1 A 45 45 PRO CA C 45 63.300 63.194 0.106 1 1 433 . 7 1 1 A 45 45 PRO CB C 45 27.800 30.163 -2.363 1 1 435 . 7 1 1 A 46 46 VAL H H 46 8.390 7.875 0.515 1 1 436 . 7 1 1 A 46 46 VAL HA H 46 3.770 4.255 -0.485 1 1 444 . 7 1 1 A 46 46 VAL C C 46 174.100 175.459 -1.359 1 1 445 . 7 1 1 A 46 46 VAL CA C 46 61.100 60.883 0.217 1 1 446 . 7 1 1 A 46 46 VAL CB C 46 35.200 33.719 1.481 1 1 449 . 7 1 1 A 46 46 VAL N N 46 124.300 121.141 3.159 1 1 450 . 7 1 1 A 47 47 GLN H H 47 8.970 8.804 0.166 1 1 451 . 7 1 1 A 47 47 GLN HA H 47 4.430 4.760 -0.330 1 1 456 . 7 1 1 A 47 47 GLN C C 47 175.100 175.371 -0.271 1 1 457 . 7 1 1 A 47 47 GLN CA C 47 56.400 56.180 0.220 1 1 458 . 7 1 1 A 47 47 GLN CB C 47 30.900 31.174 -0.274 1 1 459 . 7 1 1 A 47 47 GLN N N 47 122.000 125.605 -3.605 1 1 460 . 7 1 1 A 48 48 ARG H H 48 7.720 7.540 0.180 1 1 461 . 7 1 1 A 48 48 ARG HA H 48 4.750 4.792 -0.042 1 1 468 . 7 1 1 A 48 48 ARG CA C 48 52.800 52.266 0.534 1 1 469 . 7 1 1 A 48 48 ARG CB C 48 30.500 31.735 -1.235 1 1 471 . 7 1 1 A 48 48 ARG N N 48 116.600 118.559 -1.959 1 1 472 . 7 1 1 A 49 49 PRO HA H 49 3.750 4.466 -0.716 1 1 477 . 7 1 1 A 49 49 PRO C C 49 177.500 177.098 0.402 1 1 478 . 7 1 1 A 49 49 PRO CA C 49 65.400 64.208 1.192 1 1 479 . 7 1 1 A 49 49 PRO CB C 49 30.700 31.827 -1.127 1 1 481 . 7 1 1 A 50 50 ALA H H 50 7.960 8.242 -0.282 1 1 482 . 7 1 1 A 50 50 ALA HA H 50 4.010 3.839 0.171 1 1 486 . 7 1 1 A 50 50 ALA C C 50 177.300 177.843 -0.543 1 1 487 . 7 1 1 A 50 50 ALA CA C 50 53.800 53.130 0.670 1 1 488 . 7 1 1 A 50 50 ALA CB C 50 18.500 18.968 -0.468 1 1 489 . 7 1 1 A 50 50 ALA N N 50 117.200 120.395 -3.195 1 1 490 . 7 1 1 A 51 51 ASP H H 51 7.570 7.726 -0.156 1 1 491 . 7 1 1 A 51 51 ASP HA H 51 4.410 4.564 -0.154 1 1 494 . 7 1 1 A 51 51 ASP C C 51 176.000 176.639 -0.639 1 1 495 . 7 1 1 A 51 51 ASP CA C 51 54.200 54.772 -0.572 1 1 496 . 7 1 1 A 51 51 ASP CB C 51 41.900 41.553 0.347 1 1 497 . 7 1 1 A 51 51 ASP N N 51 114.800 116.641 -1.841 1 1 498 . 7 1 1 A 52 52 ILE H H 52 7.290 7.148 0.142 1 1 499 . 7 1 1 A 52 52 ILE HA H 52 3.100 3.781 -0.681 1 1 509 . 7 1 1 A 52 52 ILE C C 52 174.800 175.602 -0.802 1 1 510 . 7 1 1 A 52 52 ILE CA C 52 65.100 62.447 2.653 1 1 511 . 7 1 1 A 52 52 ILE CB C 52 37.100 37.638 -0.538 1 1 515 . 7 1 1 A 52 52 ILE N N 52 117.700 122.029 -4.329 1 1 516 . 7 1 1 A 53 53 THR H H 53 6.560 8.100 -1.540 1 1 517 . 7 1 1 A 53 53 THR HA H 53 4.720 4.945 -0.225 1 1 522 . 7 1 1 A 53 53 THR C C 53 174.600 175.410 -0.810 1 1 523 . 7 1 1 A 53 53 THR CA C 53 58.500 59.756 -1.256 1 1 524 . 7 1 1 A 53 53 THR CB C 53 72.900 72.519 0.381 1 1 526 . 7 1 1 A 53 53 THR N N 53 117.300 117.591 -0.291 1 1 527 . 7 1 1 A 54 54 ALA H H 54 9.340 9.056 0.284 1 1 528 . 7 1 1 A 54 54 ALA HA H 54 4.460 4.077 0.383 1 1 532 . 7 1 1 A 54 54 ALA C C 54 167.400 179.797 -12.397 1 1 533 . 7 1 1 A 54 54 ALA CA C 54 55.800 55.685 0.115 1 1 534 . 7 1 1 A 54 54 ALA CB C 54 18.200 18.141 0.059 1 1 535 . 7 1 1 A 54 54 ALA N N 54 123.800 124.527 -0.727 1 1 536 . 7 1 1 A 55 55 SER H H 55 8.530 8.121 0.409 1 1 537 . 7 1 1 A 55 55 SER HA H 55 4.280 4.107 0.173 1 1 541 . 7 1 1 A 55 55 SER C C 55 177.700 176.049 1.651 1 1 542 . 7 1 1 A 55 55 SER CA C 55 61.600 62.173 -0.573 1 1 543 . 7 1 1 A 55 55 SER CB C 55 62.600 63.127 -0.527 1 1 544 . 7 1 1 A 55 55 SER N N 55 112.600 113.660 -1.060 1 1 545 . 7 1 1 A 56 56 LEU H H 56 7.810 8.235 -0.425 1 1 546 . 7 1 1 A 56 56 LEU HA H 56 4.280 4.009 0.271 1 1 556 . 7 1 1 A 56 56 LEU C C 56 168.100 179.494 -11.394 1 1 557 . 7 1 1 A 56 56 LEU CA C 56 57.900 57.686 0.214 1 1 558 . 7 1 1 A 56 56 LEU CB C 56 42.100 40.917 1.183 1 1 562 . 7 1 1 A 56 56 LEU N N 56 122.500 120.436 2.064 1 1 563 . 7 1 1 A 57 57 LEU H H 57 8.490 8.355 0.135 1 1 564 . 7 1 1 A 57 57 LEU HA H 57 4.180 4.197 -0.017 1 1 574 . 7 1 1 A 57 57 LEU C C 57 178.000 179.580 -1.580 1 1 575 . 7 1 1 A 57 57 LEU CA C 57 58.300 58.309 -0.009 1 1 576 . 7 1 1 A 57 57 LEU CB C 57 41.200 40.972 0.228 1 1 580 . 7 1 1 A 57 57 LEU N N 57 123.900 119.510 4.390 1 1 581 . 7 1 1 A 58 58 GLN H H 58 8.500 8.481 0.019 1 1 582 . 7 1 1 A 58 58 GLN HA H 58 3.680 4.083 -0.403 1 1 589 . 7 1 1 A 58 58 GLN C C 58 178.200 179.111 -0.911 1 1 590 . 7 1 1 A 58 58 GLN CA C 58 60.200 59.324 0.876 1 1 591 . 7 1 1 A 58 58 GLN CB C 58 28.500 28.072 0.428 1 1 593 . 7 1 1 A 58 58 GLN N N 58 118.800 118.992 -0.192 1 1 595 . 7 1 1 A 59 59 GLN H H 59 8.300 7.966 0.334 1 1 596 . 7 1 1 A 59 59 GLN HA H 59 4.090 4.121 -0.031 1 1 601 . 7 1 1 A 59 59 GLN C C 59 179.900 179.000 0.900 1 1 602 . 7 1 1 A 59 59 GLN CA C 59 58.900 58.811 0.089 1 1 603 . 7 1 1 A 59 59 GLN CB C 59 28.800 28.543 0.257 1 1 605 . 7 1 1 A 59 59 GLN N N 59 118.600 119.483 -0.883 1 1 606 . 7 1 1 A 60 60 ALA H H 60 7.850 8.343 -0.493 1 1 607 . 7 1 1 A 60 60 ALA HA H 60 3.580 4.028 -0.448 1 1 611 . 7 1 1 A 60 60 ALA C C 60 176.700 179.730 -3.030 1 1 612 . 7 1 1 A 60 60 ALA CA C 60 54.700 54.486 0.214 1 1 613 . 7 1 1 A 60 60 ALA CB C 60 17.400 17.983 -0.583 1 1 614 . 7 1 1 A 60 60 ALA N N 60 122.500 122.019 0.481 1 1 615 . 7 1 1 A 61 61 ALA H H 61 7.540 7.388 0.152 1 1 616 . 7 1 1 A 61 61 ALA HA H 61 3.970 4.338 -0.368 1 1 620 . 7 1 1 A 61 61 ALA C C 61 176.300 177.839 -1.539 1 1 621 . 7 1 1 A 61 61 ALA CA C 61 52.400 51.969 0.431 1 1 622 . 7 1 1 A 61 61 ALA CB C 61 19.100 19.268 -0.168 1 1 623 . 7 1 1 A 61 61 ALA N N 61 113.700 117.839 -4.139 1 1 624 . 7 1 1 A 62 62 GLY H H 62 7.600 7.745 -0.145 1 1 625 . 7 1 1 A 62 62 GLY HA2 H 62 3.890 4.006 -0.116 1 1 626 . 7 1 1 A 62 62 GLY HA3 H 62 3.980 4.013 -0.033 1 1 627 . 7 1 1 A 62 62 GLY C C 62 175.400 175.430 -0.030 1 1 628 . 7 1 1 A 62 62 GLY CA C 62 45.800 45.422 0.378 1 1 629 . 7 1 1 A 62 62 GLY N N 62 104.800 105.963 -1.163 1 1 630 . 7 1 1 A 63 63 LEU H H 63 7.770 8.076 -0.306 1 1 631 . 7 1 1 A 63 63 LEU HA H 63 4.430 4.370 0.060 1 1 640 . 7 1 1 A 63 63 LEU C C 63 176.400 178.144 -1.744 1 1 641 . 7 1 1 A 63 63 LEU CA C 63 54.000 55.312 -1.312 1 1 642 . 7 1 1 A 63 63 LEU CB C 63 42.500 41.033 1.467 1 1 645 . 7 1 1 A 63 63 LEU N N 63 119.100 121.499 -2.399 1 1 646 . 7 1 1 A 64 64 ALA H H 64 8.060 7.684 0.376 1 1 647 . 7 1 1 A 64 64 ALA HA H 64 4.160 4.277 -0.117 1 1 651 . 7 1 1 A 64 64 ALA C C 64 177.300 177.144 0.156 1 1 652 . 7 1 1 A 64 64 ALA CA C 64 52.700 53.255 -0.555 1 1 653 . 7 1 1 A 64 64 ALA CB C 64 19.700 19.504 0.196 1 1 654 . 7 1 1 A 64 64 ALA N N 64 122.900 120.880 2.020 1 1 655 . 7 1 1 A 65 65 GLU H H 65 8.260 7.887 0.373 1 1 656 . 7 1 1 A 65 65 GLU C C 65 176.300 175.280 1.020 1 1 657 . 7 1 1 A 65 65 GLU CA C 65 56.400 54.697 1.703 1 1 658 . 7 1 1 A 65 65 GLU CB C 65 30.100 32.365 -2.265 1 1 659 . 7 1 1 A 65 65 GLU N N 65 118.900 117.070 1.830 1 1 660 . 7 1 1 A 66 66 VAL H H 66 7.960 8.663 -0.703 1 1 661 . 7 1 1 A 66 66 VAL HA H 66 4.020 4.197 -0.177 1 1 663 . 7 1 1 A 66 66 VAL C C 66 175.900 175.869 0.031 1 1 664 . 7 1 1 A 66 66 VAL CA C 66 62.300 62.234 0.066 1 1 665 . 7 1 1 A 66 66 VAL CB C 66 32.800 32.418 0.382 1 1 666 . 7 1 1 A 66 66 VAL N N 66 121.500 124.809 -3.309 1 1 667 . 7 1 1 A 67 67 VAL H H 67 8.210 8.601 -0.391 1 1 668 . 7 1 1 A 67 67 VAL C C 67 175.800 175.178 0.622 1 1 669 . 7 1 1 A 67 67 VAL CA C 67 62.200 62.977 -0.777 1 1 670 . 7 1 1 A 67 67 VAL CB C 67 32.600 30.850 1.750 1 1 671 . 7 1 1 A 67 67 VAL N N 67 124.900 128.082 -3.182 1 1 672 . 7 1 1 A 68 68 ARG H H 68 8.380 8.693 -0.313 1 1 673 . 7 1 1 A 68 68 ARG HA H 68 4.270 4.668 -0.398 1 1 674 . 7 1 1 A 68 68 ARG C C 68 175.400 174.134 1.266 1 1 675 . 7 1 1 A 68 68 ARG CA C 68 55.700 55.215 0.485 1 1 676 . 7 1 1 A 68 68 ARG CB C 68 31.100 29.537 1.563 1 1 677 . 7 1 1 A 68 68 ARG N N 68 125.900 127.539 -1.639 1 1 678 . 7 1 1 A 69 69 ASP H H 69 8.390 8.594 -0.204 1 1 679 . 7 1 1 A 69 69 ASP HA H 69 4.800 5.251 -0.451 1 1 682 . 7 1 1 A 69 69 ASP CA C 69 51.700 50.548 1.152 1 1 683 . 7 1 1 A 69 69 ASP CB C 69 41.700 42.174 -0.474 1 1 684 . 7 1 1 A 69 69 ASP N N 69 123.600 125.712 -2.112 1 1 685 . 7 1 1 A 70 70 PRO HA H 70 4.290 4.532 -0.242 1 1 688 . 7 1 1 A 70 70 PRO C C 70 177.500 177.016 0.484 1 1 689 . 7 1 1 A 70 70 PRO CA C 70 64.100 63.851 0.249 1 1 690 . 7 1 1 A 70 70 PRO CB C 70 32.300 32.651 -0.351 1 1 691 . 7 1 1 A 71 71 LEU H H 71 8.280 7.767 0.513 1 1 692 . 7 1 1 A 71 71 LEU HA H 71 4.260 3.998 0.262 1 1 698 . 7 1 1 A 71 71 LEU C C 71 177.600 175.793 1.807 1 1 699 . 7 1 1 A 71 71 LEU CA C 71 55.100 57.065 -1.965 1 1 700 . 7 1 1 A 71 71 LEU CB C 71 41.200 42.670 -1.470 1 1 702 . 7 1 1 A 71 71 LEU N N 71 118.400 121.248 -2.848 1 1 703 . 7 1 1 A 72 72 ALA H H 72 7.660 7.715 -0.055 1 1 704 . 7 1 1 A 72 72 ALA HA H 72 4.170 4.449 -0.279 1 1 708 . 7 1 1 A 72 72 ALA C C 72 177.400 175.962 1.438 1 1 709 . 7 1 1 A 72 72 ALA CA C 72 52.600 50.423 2.177 1 1 710 . 7 1 1 A 72 72 ALA CB C 72 19.200 22.022 -2.822 1 1 711 . 7 1 1 A 72 72 ALA N N 72 122.900 118.126 4.774 1 1 712 . 7 1 1 A 73 73 PHE H H 73 7.940 8.627 -0.687 1 1 713 . 7 1 1 A 73 73 PHE HA H 73 4.510 4.748 -0.238 1 1 717 . 7 1 1 A 73 73 PHE C C 73 175.600 175.587 0.013 1 1 718 . 7 1 1 A 73 73 PHE CA C 73 57.800 57.779 0.021 1 1 719 . 7 1 1 A 73 73 PHE CB C 73 39.100 38.477 0.623 1 1 720 . 7 1 1 A 73 73 PHE N N 73 118.200 121.641 -3.441 1 1 721 . 7 1 1 A 74 74 LEU H H 74 7.890 8.375 -0.485 1 1 722 . 7 1 1 A 74 74 LEU CA C 74 55.200 55.944 -0.744 1 1 723 . 7 1 1 A 74 74 LEU CB C 74 42.400 44.994 -2.594 1 1 724 . 7 1 1 A 74 74 LEU N N 74 122.600 126.085 -3.485 1 1 725 . 7 1 1 A 78 78 GLU C C 78 176.600 177.545 -0.945 1 1 726 . 7 1 1 A 78 78 GLU CA C 78 57.500 57.545 -0.045 1 1 727 . 7 1 1 A 78 78 GLU CB C 78 30.100 29.327 0.773 1 1 728 . 7 1 1 A 79 79 ALA H H 79 8.460 7.663 0.797 1 1 729 . 7 1 1 A 79 79 ALA C C 79 178.300 178.186 0.114 1 1 730 . 7 1 1 A 79 79 ALA CA C 79 52.900 52.566 0.334 1 1 731 . 7 1 1 A 79 79 ALA CB C 79 19.200 19.897 -0.697 1 1 732 . 7 1 1 A 79 79 ALA N N 79 124.700 120.174 4.526 1 1 733 . 7 1 1 A 80 80 GLY H H 80 8.330 8.420 -0.090 1 1 734 . 7 1 1 A 80 80 GLY C C 80 174.100 173.686 0.414 1 1 735 . 7 1 1 A 80 80 GLY CA C 80 45.100 46.854 -1.754 1 1 736 . 7 1 1 A 80 80 GLY N N 80 108.200 106.241 1.959 1 1 737 . 7 1 1 A 81 81 ALA H H 81 8.140 7.537 0.603 1 1 738 . 7 1 1 A 81 81 ALA HA H 81 4.170 4.837 -0.667 1 1 739 . 7 1 1 A 81 81 ALA C C 81 178.400 176.583 1.817 1 1 740 . 7 1 1 A 81 81 ALA CA C 81 52.800 51.347 1.453 1 1 741 . 7 1 1 A 81 81 ALA CB C 81 19.200 22.500 -3.300 1 1 742 . 7 1 1 A 81 81 ALA N N 81 123.600 124.335 -0.735 1 1 743 . 7 1 1 A 82 82 GLY H H 82 8.400 8.735 -0.335 1 1 744 . 7 1 1 A 82 82 GLY HA2 H 82 3.860 4.151 -0.291 1 1 745 . 7 1 1 A 82 82 GLY HA3 H 82 2.880 4.152 -1.272 1 1 746 . 7 1 1 A 82 82 GLY C C 82 173.600 174.662 -1.062 1 1 747 . 7 1 1 A 82 82 GLY CA C 82 45.200 44.560 0.640 1 1 748 . 7 1 1 A 82 82 GLY N N 82 108.000 106.759 1.241 1 1 749 . 7 1 1 A 83 83 ALA H H 83 7.980 8.064 -0.084 1 1 750 . 7 1 1 A 83 83 ALA HA H 83 4.280 4.385 -0.105 1 1 754 . 7 1 1 A 83 83 ALA C C 83 177.200 177.269 -0.069 1 1 755 . 7 1 1 A 83 83 ALA CA C 83 52.100 51.940 0.160 1 1 756 . 7 1 1 A 83 83 ALA CB C 83 19.500 19.209 0.291 1 1 757 . 7 1 1 A 83 83 ALA N N 83 123.300 126.636 -3.336 1 1 758 . 7 1 1 A 84 84 ARG H H 84 8.240 7.465 0.775 1 1 759 . 7 1 1 A 84 84 ARG HA H 84 4.610 4.726 -0.116 1 1 762 . 7 1 1 A 84 84 ARG CA C 84 54.000 54.628 -0.628 1 1 763 . 7 1 1 A 84 84 ARG CB C 84 30.500 30.393 0.107 1 1 764 . 7 1 1 A 84 84 ARG N N 84 121.700 116.860 4.840 1 1 765 . 7 1 1 A 85 85 PRO HA H 85 4.390 4.559 -0.169 1 1 770 . 7 1 1 A 85 85 PRO C C 85 177.000 177.129 -0.129 1 1 771 . 7 1 1 A 85 85 PRO CA C 85 62.900 62.485 0.415 1 1 772 . 7 1 1 A 85 85 PRO CB C 85 32.200 29.577 2.623 1 1 773 . 7 1 1 A 86 86 ALA H H 86 8.600 9.062 -0.462 1 1 774 . 7 1 1 A 86 86 ALA HA H 86 4.150 3.942 0.208 1 1 778 . 7 1 1 A 86 86 ALA C C 86 177.800 176.842 0.958 1 1 779 . 7 1 1 A 86 86 ALA CA C 86 53.400 54.725 -1.325 1 1 780 . 7 1 1 A 86 86 ALA CB C 86 18.900 17.822 1.078 1 1 781 . 7 1 1 A 86 86 ALA N N 86 124.900 121.096 3.804 1 1 782 . 7 1 1 A 87 87 ASN H H 87 8.380 9.147 -0.767 1 1 783 . 7 1 1 A 87 87 ASN HA H 87 4.590 4.290 0.300 1 1 786 . 7 1 1 A 87 87 ASN C C 87 174.400 174.957 -0.557 1 1 787 . 7 1 1 A 87 87 ASN CA C 87 52.600 54.736 -2.136 1 1 788 . 7 1 1 A 87 87 ASN CB C 87 38.300 36.882 1.418 1 1 789 . 7 1 1 A 87 87 ASN N N 87 114.900 112.079 2.821 1 1 790 . 7 1 1 A 88 88 ALA H H 88 7.800 7.765 0.035 1 1 791 . 7 1 1 A 88 88 ALA HA H 88 4.400 4.435 -0.035 1 1 795 . 7 1 1 A 88 88 ALA CA C 88 50.400 51.065 -0.665 1 1 796 . 7 1 1 A 88 88 ALA CB C 88 17.900 19.207 -1.307 1 1 797 . 7 1 1 A 88 88 ALA N N 88 123.600 121.082 2.518 1 1 798 . 7 1 1 A 89 89 PRO HA H 89 4.390 4.568 -0.178 1 1 805 . 7 1 1 A 89 89 PRO C C 89 175.000 177.491 -2.491 1 1 806 . 7 1 1 A 89 89 PRO CA C 89 62.400 62.981 -0.581 1 1 807 . 7 1 1 A 89 89 PRO CB C 89 31.700 32.297 -0.597 1 1 810 . 7 1 1 A 90 90 GLU H H 90 9.000 9.207 -0.207 1 1 811 . 7 1 1 A 90 90 GLU HA H 90 4.310 4.195 0.115 1 1 814 . 7 1 1 A 90 90 GLU C C 90 177.300 176.288 1.012 1 1 815 . 7 1 1 A 90 90 GLU CA C 90 58.000 59.245 -1.245 1 1 816 . 7 1 1 A 90 90 GLU CB C 90 31.400 31.538 -0.138 1 1 817 . 7 1 1 A 90 90 GLU N N 90 117.700 120.501 -2.801 1 1 818 . 7 1 1 A 91 91 VAL H H 91 7.310 7.415 -0.105 1 1 819 . 7 1 1 A 91 91 VAL HA H 91 4.570 4.855 -0.285 1 1 827 . 7 1 1 A 91 91 VAL C C 91 171.000 173.185 -2.185 1 1 828 . 7 1 1 A 91 91 VAL CA C 91 59.700 60.055 -0.355 1 1 829 . 7 1 1 A 91 91 VAL CB C 91 35.600 35.686 -0.086 1 1 832 . 7 1 1 A 91 91 VAL N N 91 115.900 116.811 -0.911 1 1 833 . 7 1 1 A 92 92 LEU H H 92 8.700 9.456 -0.756 1 1 834 . 7 1 1 A 92 92 LEU HA H 92 4.950 5.303 -0.353 1 1 844 . 7 1 1 A 92 92 LEU C C 92 174.300 174.636 -0.336 1 1 845 . 7 1 1 A 92 92 LEU CA C 92 52.700 53.369 -0.669 1 1 846 . 7 1 1 A 92 92 LEU CB C 92 44.100 45.105 -1.005 1 1 850 . 7 1 1 A 92 92 LEU N N 92 128.500 129.694 -1.194 1 1 851 . 7 1 1 A 93 93 LEU H H 93 8.770 9.339 -0.569 1 1 852 . 7 1 1 A 93 93 LEU HA H 93 4.910 5.228 -0.318 1 1 862 . 7 1 1 A 93 93 LEU C C 93 174.900 175.413 -0.513 1 1 863 . 7 1 1 A 93 93 LEU CA C 93 52.600 53.078 -0.478 1 1 864 . 7 1 1 A 93 93 LEU CB C 93 44.300 42.726 1.574 1 1 868 . 7 1 1 A 93 93 LEU N N 93 127.300 128.733 -1.433 1 1 869 . 7 1 1 A 94 94 VAL H H 94 8.800 9.359 -0.559 1 1 870 . 7 1 1 A 94 94 VAL HA H 94 4.880 4.736 0.144 1 1 878 . 7 1 1 A 94 94 VAL C C 94 175.000 175.301 -0.301 1 1 879 . 7 1 1 A 94 94 VAL CA C 94 60.000 60.754 -0.754 1 1 880 . 7 1 1 A 94 94 VAL CB C 94 33.900 33.516 0.384 1 1 883 . 7 1 1 A 94 94 VAL N N 94 122.000 126.215 -4.215 1 1 884 . 7 1 1 A 95 95 GLY H H 95 9.730 9.447 0.283 1 1 885 . 7 1 1 A 95 95 GLY HA2 H 95 3.240 4.210 -0.970 1 1 886 . 7 1 1 A 95 95 GLY HA3 H 95 4.940 4.231 0.709 1 1 887 . 7 1 1 A 95 95 GLY C C 95 175.000 175.214 -0.214 1 1 888 . 7 1 1 A 95 95 GLY CA C 95 45.500 44.893 0.607 1 1 889 . 7 1 1 A 95 95 GLY N N 95 114.000 116.101 -2.101 1 1 890 . 7 1 1 A 96 96 THR H H 96 9.320 9.106 0.214 1 1 891 . 7 1 1 A 96 96 THR HA H 96 4.210 4.394 -0.184 1 1 896 . 7 1 1 A 96 96 THR C C 96 173.000 176.013 -3.013 1 1 897 . 7 1 1 A 96 96 THR CA C 96 61.800 63.352 -1.552 1 1 898 . 7 1 1 A 96 96 THR CB C 96 67.600 69.899 -2.299 1 1 900 . 7 1 1 A 96 96 THR N N 96 113.800 116.958 -3.158 1 1 901 . 7 1 1 A 97 97 GLY H H 97 8.600 7.866 0.734 1 1 902 . 7 1 1 A 97 97 GLY HA2 H 97 3.580 3.940 -0.360 1 1 903 . 7 1 1 A 97 97 GLY HA3 H 97 4.500 3.956 0.544 1 1 904 . 7 1 1 A 97 97 GLY C C 97 174.800 174.375 0.425 1 1 905 . 7 1 1 A 97 97 GLY CA C 97 44.000 45.602 -1.602 1 1 906 . 7 1 1 A 97 97 GLY N N 97 110.900 110.665 0.235 1 1 907 . 7 1 1 A 98 98 ARG H H 98 9.400 8.180 1.220 1 1 908 . 7 1 1 A 98 98 ARG HA H 98 4.110 4.503 -0.393 1 1 911 . 7 1 1 A 98 98 ARG C C 98 175.700 175.983 -0.283 1 1 912 . 7 1 1 A 98 98 ARG CA C 98 58.800 57.064 1.736 1 1 913 . 7 1 1 A 98 98 ARG CB C 98 30.700 33.016 -2.316 1 1 914 . 7 1 1 A 98 98 ARG N N 98 125.500 117.693 7.807 1 1 915 . 7 1 1 A 99 99 ARG H H 99 8.180 7.794 0.386 1 1 916 . 7 1 1 A 99 99 ARG HA H 99 4.640 4.755 -0.115 1 1 919 . 7 1 1 A 99 99 ARG C C 99 175.000 175.283 -0.283 1 1 920 . 7 1 1 A 99 99 ARG CA C 99 53.100 54.483 -1.383 1 1 921 . 7 1 1 A 99 99 ARG CB C 99 33.200 33.424 -0.224 1 1 922 . 7 1 1 A 99 99 ARG N N 99 114.300 117.561 -3.261 1 1 923 . 7 1 1 A 100 100 GLN H H 100 8.710 8.524 0.186 1 1 924 . 7 1 1 A 100 100 GLN HA H 100 3.620 4.584 -0.964 1 1 929 . 7 1 1 A 100 100 GLN C C 100 173.900 175.513 -1.613 1 1 930 . 7 1 1 A 100 100 GLN CA C 100 56.400 55.819 0.581 1 1 931 . 7 1 1 A 100 100 GLN CB C 100 29.600 28.506 1.094 1 1 933 . 7 1 1 A 100 100 GLN N N 100 121.700 123.221 -1.521 1 1 934 . 7 1 1 A 101 101 HIS H H 101 7.900 8.632 -0.732 1 1 935 . 7 1 1 A 101 101 HIS HA H 101 4.530 4.735 -0.205 1 1 939 . 7 1 1 A 101 101 HIS C C 101 173.100 174.412 -1.312 1 1 940 . 7 1 1 A 101 101 HIS CA C 101 55.100 55.602 -0.502 1 1 941 . 7 1 1 A 101 101 HIS CB C 101 32.100 30.430 1.670 1 1 942 . 7 1 1 A 101 101 HIS N N 101 130.600 125.872 4.728 1 1 943 . 7 1 1 A 102 102 LEU H H 102 8.080 8.249 -0.169 1 1 944 . 7 1 1 A 102 102 LEU HA H 102 4.060 4.277 -0.217 1 1 948 . 7 1 1 A 102 102 LEU C C 102 177.200 175.896 1.304 1 1 949 . 7 1 1 A 102 102 LEU CA C 102 54.900 55.366 -0.466 1 1 950 . 7 1 1 A 102 102 LEU CB C 102 41.600 42.206 -0.606 1 1 951 . 7 1 1 A 102 102 LEU N N 102 121.400 128.977 -7.577 1 1 952 . 7 1 1 A 103 103 LEU H H 103 8.260 8.581 -0.321 1 1 953 . 7 1 1 A 103 103 LEU HA H 103 4.490 4.307 0.183 1 1 963 . 7 1 1 A 103 103 LEU C C 103 177.100 177.181 -0.081 1 1 964 . 7 1 1 A 103 103 LEU CA C 103 53.400 54.769 -1.369 1 1 965 . 7 1 1 A 103 103 LEU CB C 103 42.600 42.253 0.347 1 1 969 . 7 1 1 A 103 103 LEU N N 103 123.000 128.500 -5.500 1 1 970 . 7 1 1 A 104 104 GLY H H 104 8.820 8.306 0.514 1 1 971 . 7 1 1 A 104 104 GLY HA2 H 104 3.930 4.202 -0.272 1 1 972 . 7 1 1 A 104 104 GLY HA3 H 104 4.440 4.216 0.224 1 1 973 . 7 1 1 A 104 104 GLY CA C 104 44.500 43.762 0.738 1 1 974 . 7 1 1 A 104 104 GLY N N 104 110.200 110.102 0.098 1 1 975 . 7 1 1 A 105 105 PRO HA H 105 4.230 4.232 -0.002 1 1 978 . 7 1 1 A 105 105 PRO C C 105 178.900 177.764 1.136 1 1 979 . 7 1 1 A 105 105 PRO CA C 105 65.200 65.373 -0.173 1 1 980 . 7 1 1 A 105 105 PRO CB C 105 31.900 31.828 0.072 1 1 981 . 7 1 1 A 106 106 GLU H H 106 9.150 8.418 0.732 1 1 982 . 7 1 1 A 106 106 GLU HA H 106 4.080 4.101 -0.021 1 1 987 . 7 1 1 A 106 106 GLU C C 106 178.500 177.997 0.503 1 1 988 . 7 1 1 A 106 106 GLU CA C 106 58.600 59.361 -0.761 1 1 989 . 7 1 1 A 106 106 GLU CB C 106 28.500 29.493 -0.993 1 1 991 . 7 1 1 A 106 106 GLU N N 106 115.400 117.906 -2.506 1 1 992 . 7 1 1 A 107 107 GLN H H 107 7.680 8.131 -0.451 1 1 993 . 7 1 1 A 107 107 GLN HA H 107 4.160 4.424 -0.264 1 1 998 . 7 1 1 A 107 107 GLN C C 107 175.200 177.725 -2.525 1 1 999 . 7 1 1 A 107 107 GLN CA C 107 58.500 57.293 1.207 1 1 1000 . 7 1 1 A 107 107 GLN CB C 107 29.400 29.729 -0.329 1 1 1002 . 7 1 1 A 107 107 GLN N N 107 116.100 117.774 -1.674 1 1 1003 . 7 1 1 A 108 108 VAL H H 108 7.080 7.681 -0.601 1 1 1004 . 7 1 1 A 108 108 VAL HA H 108 4.270 3.983 0.287 1 1 1012 . 7 1 1 A 108 108 VAL C C 108 177.500 177.569 -0.069 1 1 1013 . 7 1 1 A 108 108 VAL CA C 108 62.000 64.406 -2.406 1 1 1014 . 7 1 1 A 108 108 VAL CB C 108 33.000 31.792 1.208 1 1 1017 . 7 1 1 A 108 108 VAL N N 108 104.800 116.450 -11.650 1 1 1018 . 7 1 1 A 109 109 ARG H H 109 8.220 7.957 0.263 1 1 1019 . 7 1 1 A 109 109 ARG HA H 109 4.060 4.095 -0.035 1 1 1024 . 7 1 1 A 109 109 ARG CA C 109 61.700 61.139 0.561 1 1 1025 . 7 1 1 A 109 109 ARG CB C 109 27.600 28.986 -1.386 1 1 1027 . 7 1 1 A 109 109 ARG N N 109 123.100 122.754 0.346 1 1 1028 . 7 1 1 A 110 110 PRO HA H 110 4.290 4.380 -0.090 1 1 1035 . 7 1 1 A 110 110 PRO C C 110 173.000 179.013 -6.013 1 1 1036 . 7 1 1 A 110 110 PRO CA C 110 65.800 65.757 0.043 1 1 1037 . 7 1 1 A 110 110 PRO CB C 110 31.400 30.805 0.595 1 1 1040 . 7 1 1 A 111 111 LEU H H 111 7.080 7.628 -0.548 1 1 1041 . 7 1 1 A 111 111 LEU HA H 111 4.050 4.075 -0.025 1 1 1051 . 7 1 1 A 111 111 LEU C C 111 178.800 179.059 -0.259 1 1 1052 . 7 1 1 A 111 111 LEU CA C 111 57.400 57.463 -0.063 1 1 1053 . 7 1 1 A 111 111 LEU CB C 111 40.100 41.525 -1.425 1 1 1056 . 7 1 1 A 111 111 LEU N N 111 117.700 117.092 0.608 1 1 1057 . 7 1 1 A 112 112 LEU H H 112 7.950 8.403 -0.453 1 1 1058 . 7 1 1 A 112 112 LEU HA H 112 4.050 4.083 -0.033 1 1 1068 . 7 1 1 A 112 112 LEU C C 112 169.000 179.570 -10.570 1 1 1069 . 7 1 1 A 112 112 LEU CA C 112 58.000 57.771 0.229 1 1 1070 . 7 1 1 A 112 112 LEU CB C 112 41.100 40.273 0.827 1 1 1074 . 7 1 1 A 112 112 LEU N N 112 121.700 120.386 1.314 1 1 1075 . 7 1 1 A 113 113 ALA H H 113 8.230 8.627 -0.397 1 1 1076 . 7 1 1 A 113 113 ALA HA H 113 4.110 4.049 0.061 1 1 1080 . 7 1 1 A 113 113 ALA C C 113 178.700 180.203 -1.503 1 1 1081 . 7 1 1 A 113 113 ALA CA C 113 54.400 55.069 -0.669 1 1 1082 . 7 1 1 A 113 113 ALA CB C 113 18.100 18.133 -0.033 1 1 1083 . 7 1 1 A 113 113 ALA N N 113 120.900 122.572 -1.672 1 1 1084 . 7 1 1 A 114 114 MET H H 114 7.270 7.493 -0.223 1 1 1085 . 7 1 1 A 114 114 MET HA H 114 4.490 4.367 0.123 1 1 1093 . 7 1 1 A 114 114 MET C C 114 175.100 176.283 -1.183 1 1 1094 . 7 1 1 A 114 114 MET CA C 114 55.100 56.355 -1.255 1 1 1095 . 7 1 1 A 114 114 MET CB C 114 33.700 32.714 0.986 1 1 1098 . 7 1 1 A 114 114 MET N N 114 115.100 115.490 -0.390 1 1 1099 . 7 1 1 A 115 115 GLY H H 115 7.830 8.135 -0.305 1 1 1100 . 7 1 1 A 115 115 GLY HA2 H 115 3.660 4.054 -0.394 1 1 1101 . 7 1 1 A 115 115 GLY HA3 H 115 4.060 4.054 0.006 1 1 1102 . 7 1 1 A 115 115 GLY C C 115 173.700 174.288 -0.588 1 1 1103 . 7 1 1 A 115 115 GLY CA C 115 45.600 44.962 0.638 1 1 1104 . 7 1 1 A 115 115 GLY N N 115 106.300 106.466 -0.166 1 1 1105 . 7 1 1 A 116 116 VAL H H 116 7.710 7.696 0.014 1 1 1106 . 7 1 1 A 116 116 VAL HA H 116 3.820 3.991 -0.171 1 1 1114 . 7 1 1 A 116 116 VAL C C 116 174.800 175.566 -0.766 1 1 1115 . 7 1 1 A 116 116 VAL CA C 116 61.200 62.880 -1.680 1 1 1116 . 7 1 1 A 116 116 VAL CB C 116 32.800 31.629 1.171 1 1 1119 . 7 1 1 A 116 116 VAL N N 116 123.600 122.176 1.424 1 1 1120 . 7 1 1 A 117 117 GLY H H 117 7.730 8.636 -0.906 1 1 1121 . 7 1 1 A 117 117 GLY HA2 H 117 3.570 3.973 -0.403 1 1 1122 . 7 1 1 A 117 117 GLY HA3 H 117 4.040 3.975 0.065 1 1 1123 . 7 1 1 A 117 117 GLY C C 117 172.600 173.152 -0.552 1 1 1124 . 7 1 1 A 117 117 GLY CA C 117 45.500 45.663 -0.163 1 1 1125 . 7 1 1 A 117 117 GLY N N 117 111.400 115.327 -3.927 1 1 1126 . 7 1 1 A 118 118 VAL H H 118 7.740 9.174 -1.434 1 1 1127 . 7 1 1 A 118 118 VAL HA H 118 5.100 4.880 0.220 1 1 1135 . 7 1 1 A 118 118 VAL C C 118 175.500 175.675 -0.175 1 1 1136 . 7 1 1 A 118 118 VAL CA C 118 61.000 61.494 -0.494 1 1 1137 . 7 1 1 A 118 118 VAL CB C 118 34.300 32.819 1.481 1 1 1140 . 7 1 1 A 118 118 VAL N N 118 120.900 126.656 -5.756 1 1 1141 . 7 1 1 A 119 119 GLU H H 119 8.490 9.059 -0.569 1 1 1142 . 7 1 1 A 119 119 GLU HA H 119 4.630 5.126 -0.496 1 1 1147 . 7 1 1 A 119 119 GLU C C 119 173.500 174.856 -1.356 1 1 1148 . 7 1 1 A 119 119 GLU CA C 119 54.600 54.761 -0.161 1 1 1149 . 7 1 1 A 119 119 GLU CB C 119 32.300 33.750 -1.450 1 1 1151 . 7 1 1 A 119 119 GLU N N 119 127.000 125.774 1.226 1 1 1152 . 7 1 1 A 120 120 ALA H H 120 8.600 8.933 -0.333 1 1 1153 . 7 1 1 A 120 120 ALA HA H 120 5.530 5.586 -0.056 1 1 1157 . 7 1 1 A 120 120 ALA C C 120 177.100 176.334 0.766 1 1 1158 . 7 1 1 A 120 120 ALA CA C 120 50.300 50.245 0.055 1 1 1159 . 7 1 1 A 120 120 ALA CB C 120 20.800 21.559 -0.759 1 1 1160 . 7 1 1 A 120 120 ALA N N 120 126.500 124.331 2.169 1 1 1161 . 7 1 1 A 121 121 MET H H 121 9.430 9.142 0.288 1 1 1162 . 7 1 1 A 121 121 MET HA H 121 4.630 4.936 -0.306 1 1 1170 . 7 1 1 A 121 121 MET C C 121 173.300 175.097 -1.797 1 1 1171 . 7 1 1 A 121 121 MET CA C 121 54.600 54.199 0.401 1 1 1172 . 7 1 1 A 121 121 MET CB C 121 36.800 37.466 -0.666 1 1 1175 . 7 1 1 A 121 121 MET N N 121 120.400 120.288 0.112 1 1 1176 . 7 1 1 A 122 122 ASP H H 122 8.460 8.667 -0.207 1 1 1177 . 7 1 1 A 122 122 ASP HA H 122 4.170 4.968 -0.798 1 1 1180 . 7 1 1 A 122 122 ASP C C 122 175.200 177.744 -2.544 1 1 1181 . 7 1 1 A 122 122 ASP CA C 122 55.000 54.502 0.498 1 1 1182 . 7 1 1 A 122 122 ASP CB C 122 41.000 41.579 -0.579 1 1 1183 . 7 1 1 A 122 122 ASP N N 122 116.700 120.392 -3.692 1 1 1184 . 7 1 1 A 123 123 THR H H 123 9.580 8.773 0.807 1 1 1185 . 7 1 1 A 123 123 THR HA H 123 3.670 3.853 -0.183 1 1 1191 . 7 1 1 A 123 123 THR C C 123 174.400 176.345 -1.945 1 1 1192 . 7 1 1 A 123 123 THR CA C 123 68.700 66.699 2.001 1 1 1193 . 7 1 1 A 123 123 THR CB C 123 68.800 69.052 -0.252 1 1 1195 . 7 1 1 A 123 123 THR N N 123 119.600 117.128 2.472 1 1 1196 . 7 1 1 A 124 124 GLN H H 124 8.580 8.256 0.324 1 1 1197 . 7 1 1 A 124 124 GLN HA H 124 3.240 3.989 -0.749 1 1 1202 . 7 1 1 A 124 124 GLN C C 124 177.700 177.869 -0.169 1 1 1203 . 7 1 1 A 124 124 GLN CA C 124 60.100 58.642 1.458 1 1 1204 . 7 1 1 A 124 124 GLN CB C 124 27.400 28.614 -1.214 1 1 1206 . 7 1 1 A 124 124 GLN N N 124 121.500 121.118 0.382 1 1 1207 . 7 1 1 A 125 125 ALA H H 125 8.210 8.095 0.115 1 1 1208 . 7 1 1 A 125 125 ALA HA H 125 3.960 4.180 -0.220 1 1 1212 . 7 1 1 A 125 125 ALA C C 125 167.800 179.927 -12.127 1 1 1213 . 7 1 1 A 125 125 ALA CA C 125 54.800 54.857 -0.057 1 1 1214 . 7 1 1 A 125 125 ALA CB C 125 18.700 18.230 0.470 1 1 1215 . 7 1 1 A 125 125 ALA N N 125 122.600 121.397 1.203 1 1 1216 . 7 1 1 A 126 126 ALA H H 126 8.900 8.598 0.302 1 1 1217 . 7 1 1 A 126 126 ALA HA H 126 4.110 4.054 0.056 1 1 1221 . 7 1 1 A 126 126 ALA C C 126 178.500 179.266 -0.766 1 1 1222 . 7 1 1 A 126 126 ALA CA C 126 55.300 55.233 0.067 1 1 1223 . 7 1 1 A 126 126 ALA CB C 126 18.100 19.075 -0.975 1 1 1224 . 7 1 1 A 126 126 ALA N N 126 124.600 120.560 4.040 1 1 1225 . 7 1 1 A 127 127 ALA H H 127 8.440 8.293 0.147 1 1 1226 . 7 1 1 A 127 127 ALA HA H 127 3.850 4.090 -0.240 1 1 1230 . 7 1 1 A 127 127 ALA C C 127 178.400 179.490 -1.090 1 1 1231 . 7 1 1 A 127 127 ALA CA C 127 55.500 55.297 0.203 1 1 1232 . 7 1 1 A 127 127 ALA CB C 127 18.500 18.059 0.441 1 1 1233 . 7 1 1 A 127 127 ALA N N 127 120.200 119.986 0.214 1 1 1234 . 7 1 1 A 128 128 ARG H H 128 7.790 7.835 -0.045 1 1 1235 . 7 1 1 A 128 128 ARG HA H 128 4.020 4.138 -0.118 1 1 1240 . 7 1 1 A 128 128 ARG C C 128 179.400 179.108 0.292 1 1 1241 . 7 1 1 A 128 128 ARG CA C 128 59.600 59.761 -0.161 1 1 1242 . 7 1 1 A 128 128 ARG CB C 128 30.800 29.719 1.081 1 1 1244 . 7 1 1 A 128 128 ARG N N 128 115.900 119.360 -3.460 1 1 1245 . 7 1 1 A 129 129 THR H H 129 8.440 7.881 0.559 1 1 1246 . 7 1 1 A 129 129 THR HA H 129 3.770 3.996 -0.226 1 1 1251 . 7 1 1 A 129 129 THR C C 129 175.300 176.022 -0.722 1 1 1252 . 7 1 1 A 129 129 THR CA C 129 67.300 66.446 0.854 1 1 1253 . 7 1 1 A 129 129 THR CB C 129 68.300 68.626 -0.326 1 1 1255 . 7 1 1 A 129 129 THR N N 129 116.400 115.187 1.213 1 1 1256 . 7 1 1 A 130 130 TYR H H 130 8.790 8.585 0.205 1 1 1257 . 7 1 1 A 130 130 TYR HA H 130 3.600 4.150 -0.550 1 1 1262 . 7 1 1 A 130 130 TYR C C 130 175.500 177.383 -1.883 1 1 1263 . 7 1 1 A 130 130 TYR CA C 130 62.600 62.077 0.523 1 1 1264 . 7 1 1 A 130 130 TYR CB C 130 37.500 38.597 -1.097 1 1 1265 . 7 1 1 A 130 130 TYR N N 130 123.500 122.882 0.618 1 1 1266 . 7 1 1 A 131 131 ASN H H 131 7.800 8.491 -0.691 1 1 1267 . 7 1 1 A 131 131 ASN HA H 131 4.220 4.273 -0.053 1 1 1270 . 7 1 1 A 131 131 ASN C C 131 179.200 178.007 1.193 1 1 1271 . 7 1 1 A 131 131 ASN CA C 131 55.500 56.579 -1.079 1 1 1272 . 7 1 1 A 131 131 ASN CB C 131 37.100 39.713 -2.613 1 1 1273 . 7 1 1 A 131 131 ASN N N 131 117.700 117.439 0.261 1 1 1274 . 7 1 1 A 132 132 ILE H H 132 7.520 7.678 -0.158 1 1 1275 . 7 1 1 A 132 132 ILE HA H 132 3.710 3.603 0.107 1 1 1285 . 7 1 1 A 132 132 ILE C C 132 178.100 178.254 -0.154 1 1 1286 . 7 1 1 A 132 132 ILE CA C 132 64.900 65.757 -0.857 1 1 1287 . 7 1 1 A 132 132 ILE CB C 132 38.500 38.145 0.355 1 1 1291 . 7 1 1 A 132 132 ILE N N 132 121.000 119.625 1.375 1 1 1292 . 7 1 1 A 133 133 LEU H H 133 8.420 8.378 0.042 1 1 1293 . 7 1 1 A 133 133 LEU HA H 133 3.910 3.971 -0.061 1 1 1303 . 7 1 1 A 133 133 LEU C C 133 179.600 179.404 0.196 1 1 1304 . 7 1 1 A 133 133 LEU CA C 133 57.900 57.913 -0.013 1 1 1305 . 7 1 1 A 133 133 LEU CB C 133 41.700 40.490 1.210 1 1 1309 . 7 1 1 A 133 133 LEU N N 133 120.500 118.588 1.912 1 1 1310 . 7 1 1 A 134 134 MET H H 134 8.990 8.292 0.698 1 1 1311 . 7 1 1 A 134 134 MET HA H 134 3.870 4.039 -0.169 1 1 1319 . 7 1 1 A 134 134 MET C C 134 167.400 177.945 -10.545 1 1 1320 . 7 1 1 A 134 134 MET CA C 134 58.400 58.257 0.143 1 1 1321 . 7 1 1 A 134 134 MET CB C 134 30.700 31.931 -1.231 1 1 1324 . 7 1 1 A 134 134 MET N N 134 119.900 118.478 1.422 1 1 1325 . 7 1 1 A 135 135 ALA H H 135 7.490 7.794 -0.304 1 1 1326 . 7 1 1 A 135 135 ALA HA H 135 4.060 4.054 0.006 1 1 1330 . 7 1 1 A 135 135 ALA C C 135 179.100 180.119 -1.019 1 1 1331 . 7 1 1 A 135 135 ALA CA C 135 54.700 54.544 0.156 1 1 1332 . 7 1 1 A 135 135 ALA CB C 135 18.000 18.198 -0.198 1 1 1333 . 7 1 1 A 135 135 ALA N N 135 124.600 121.186 3.414 1 1 1334 . 7 1 1 A 136 136 GLU H H 136 7.540 7.593 -0.053 1 1 1335 . 7 1 1 A 136 136 GLU HA H 136 4.230 4.322 -0.092 1 1 1340 . 7 1 1 A 136 136 GLU C C 136 176.900 176.777 0.123 1 1 1341 . 7 1 1 A 136 136 GLU CA C 136 56.400 57.767 -1.367 1 1 1342 . 7 1 1 A 136 136 GLU CB C 136 30.300 30.297 0.003 1 1 1344 . 7 1 1 A 136 136 GLU N N 136 116.500 117.406 -0.906 1 1 1345 . 7 1 1 A 137 137 GLY H H 137 7.870 7.646 0.224 1 1 1346 . 7 1 1 A 137 137 GLY HA2 H 137 3.760 3.844 -0.084 1 1 1347 . 7 1 1 A 137 137 GLY HA3 H 137 4.140 3.856 0.284 1 1 1348 . 7 1 1 A 137 137 GLY C C 137 175.100 174.447 0.653 1 1 1349 . 7 1 1 A 137 137 GLY CA C 137 45.600 46.058 -0.458 1 1 1350 . 7 1 1 A 137 137 GLY N N 137 107.100 108.719 -1.619 1 1 1351 . 7 1 1 A 138 138 ARG H H 138 7.580 7.764 -0.184 1 1 1352 . 7 1 1 A 138 138 ARG HA H 138 4.270 4.441 -0.171 1 1 1357 . 7 1 1 A 138 138 ARG C C 138 176.900 175.350 1.550 1 1 1358 . 7 1 1 A 138 138 ARG CA C 138 54.500 54.940 -0.440 1 1 1359 . 7 1 1 A 138 138 ARG CB C 138 30.100 31.657 -1.557 1 1 1361 . 7 1 1 A 138 138 ARG N N 138 118.100 121.629 -3.529 1 1 1362 . 7 1 1 A 139 139 ARG H H 139 9.240 9.316 -0.076 1 1 1363 . 7 1 1 A 139 139 ARG HA H 139 4.470 4.467 0.003 1 1 1370 . 7 1 1 A 139 139 ARG C C 139 174.400 174.945 -0.545 1 1 1371 . 7 1 1 A 139 139 ARG CA C 139 55.700 55.674 0.026 1 1 1372 . 7 1 1 A 139 139 ARG CB C 139 28.000 29.165 -1.165 1 1 1375 . 7 1 1 A 139 139 ARG N N 139 124.400 126.820 -2.420 1 1 1376 . 7 1 1 A 140 140 VAL H H 140 7.250 8.381 -1.131 1 1 1377 . 7 1 1 A 140 140 VAL HA H 140 5.180 5.266 -0.086 1 1 1385 . 7 1 1 A 140 140 VAL C C 140 172.800 173.823 -1.023 1 1 1386 . 7 1 1 A 140 140 VAL CA C 140 57.700 60.197 -2.497 1 1 1387 . 7 1 1 A 140 140 VAL CB C 140 34.700 34.448 0.252 1 1 1390 . 7 1 1 A 140 140 VAL N N 140 121.900 126.601 -4.701 1 1 1391 . 7 1 1 A 141 141 VAL H H 141 8.180 8.633 -0.453 1 1 1392 . 7 1 1 A 141 141 VAL HA H 141 4.510 4.847 -0.337 1 1 1400 . 7 1 1 A 141 141 VAL C C 141 172.600 174.120 -1.520 1 1 1401 . 7 1 1 A 141 141 VAL CA C 141 60.300 60.764 -0.464 1 1 1402 . 7 1 1 A 141 141 VAL CB C 141 35.600 34.347 1.253 1 1 1405 . 7 1 1 A 141 141 VAL N N 141 123.900 128.347 -4.447 1 1 1406 . 7 1 1 A 142 142 VAL H H 142 8.430 8.435 -0.005 1 1 1407 . 7 1 1 A 142 142 VAL HA H 142 5.220 4.938 0.282 1 1 1415 . 7 1 1 A 142 142 VAL C C 142 170.000 172.822 -2.822 1 1 1416 . 7 1 1 A 142 142 VAL CA C 142 57.600 58.985 -1.385 1 1 1417 . 7 1 1 A 142 142 VAL CB C 142 35.500 33.460 2.040 1 1 1420 . 7 1 1 A 142 142 VAL N N 142 124.600 127.885 -3.285 1 1 1421 . 7 1 1 A 143 143 ALA H H 143 8.220 8.923 -0.703 1 1 1422 . 7 1 1 A 143 143 ALA HA H 143 4.680 4.893 -0.213 1 1 1426 . 7 1 1 A 143 143 ALA C C 143 175.400 175.283 0.117 1 1 1427 . 7 1 1 A 143 143 ALA CA C 143 49.900 49.922 -0.022 1 1 1428 . 7 1 1 A 143 143 ALA CB C 143 19.600 19.701 -0.101 1 1 1429 . 7 1 1 A 143 143 ALA N N 143 129.100 130.616 -1.516 1 1 1430 . 7 1 1 A 144 144 LEU H H 144 9.070 8.927 0.143 1 1 1431 . 7 1 1 A 144 144 LEU HA H 144 4.840 4.995 -0.155 1 1 1441 . 7 1 1 A 144 144 LEU CA C 144 53.400 53.401 -0.001 1 1 1442 . 7 1 1 A 144 144 LEU CB C 144 46.500 43.321 3.179 1 1 1445 . 7 1 1 A 144 144 LEU N N 144 119.600 123.839 -4.239 1 1 1446 . 7 1 1 A 145 145 LEU HA H 145 4.830 4.816 0.014 1 1 1456 . 7 1 1 A 145 145 LEU CA C 145 51.800 52.815 -1.015 1 1 1457 . 7 1 1 A 145 145 LEU CB C 145 41.700 40.974 0.726 1 1 1461 . 7 1 1 A 146 146 PRO HA H 146 4.330 4.586 -0.256 1 1 1466 . 7 1 1 A 146 146 PRO C C 146 175.700 177.094 -1.394 1 1 1467 . 7 1 1 A 146 146 PRO CA C 146 62.800 62.821 -0.021 1 1 1468 . 7 1 1 A 146 146 PRO CB C 146 31.500 32.606 -1.106 1 1 1470 . 7 1 1 A 147 147 ASP H H 147 8.660 8.909 -0.249 1 1 1471 . 7 1 1 A 147 147 ASP HA H 147 4.510 4.378 0.132 1 1 1474 . 7 1 1 A 147 147 ASP C C 147 176.300 176.558 -0.258 1 1 1475 . 7 1 1 A 147 147 ASP CA C 147 54.300 56.816 -2.516 1 1 1476 . 7 1 1 A 147 147 ASP CB C 147 42.100 41.365 0.735 1 1 1477 . 7 1 1 A 147 147 ASP N N 147 120.700 121.279 -0.579 1 1 1478 . 7 1 1 A 148 148 GLY H H 148 8.310 7.667 0.643 1 1 1479 . 7 1 1 A 148 148 GLY HA2 H 148 4.020 4.072 -0.052 1 1 1480 . 7 1 1 A 148 148 GLY HA3 H 148 4.050 4.092 -0.042 1 1 1481 . 7 1 1 A 148 148 GLY C C 148 173.600 175.124 -1.524 1 1 1482 . 7 1 1 A 148 148 GLY CA C 148 45.200 45.538 -0.338 1 1 1483 . 7 1 1 A 148 148 GLY N N 148 109.400 106.081 3.319 1 1 1484 . 7 1 1 A 149 149 ASP H H 149 8.550 8.301 0.249 1 1 1485 . 7 1 1 A 149 149 ASP HA H 149 4.650 4.435 0.215 1 1 1488 . 7 1 1 A 149 149 ASP C C 149 176.700 176.151 0.549 1 1 1489 . 7 1 1 A 149 149 ASP CA C 149 54.500 55.511 -1.011 1 1 1490 . 7 1 1 A 149 149 ASP CB C 149 41.600 39.073 2.527 1 1 1491 . 7 1 1 A 149 149 ASP N N 149 120.800 116.803 3.997 1 1 1492 . 7 1 1 A 150 150 SER H H 150 8.600 8.270 0.330 1 1 1493 . 7 1 1 A 150 150 SER HA H 150 4.350 4.430 -0.080 1 1 1496 . 7 1 1 A 150 150 SER C C 150 175.000 175.297 -0.297 1 1 1497 . 7 1 1 A 150 150 SER CA C 150 58.900 60.707 -1.807 1 1 1498 . 7 1 1 A 150 150 SER CB C 150 63.500 63.066 0.434 1 1 1499 . 7 1 1 A 150 150 SER N N 150 116.400 111.798 4.602 1 1 1500 . 7 1 1 A 151 151 LEU H H 151 8.290 7.489 0.801 1 1 1501 . 7 1 1 A 151 151 LEU CA C 151 55.500 55.351 0.149 1 1 1502 . 7 1 1 A 151 151 LEU CB C 151 41.900 42.003 -0.103 1 1 5 . 8 1 1 A 4 4 HIS C C 4 174.800 174.455 0.345 1 1 6 . 8 1 1 A 4 4 HIS CA C 4 55.900 55.279 0.621 1 1 7 . 8 1 1 A 4 4 HIS CB C 4 30.000 29.659 0.341 1 1 8 . 8 1 1 A 5 5 THR H H 5 7.990 8.812 -0.822 1 1 9 . 8 1 1 A 5 5 THR C C 5 173.800 173.277 0.523 1 1 10 . 8 1 1 A 5 5 THR CA C 5 61.500 60.651 0.849 1 1 11 . 8 1 1 A 5 5 THR CB C 5 69.900 70.472 -0.572 1 1 12 . 8 1 1 A 5 5 THR N N 5 115.300 115.813 -0.513 1 1 13 . 8 1 1 A 6 6 ASP H H 6 8.370 8.754 -0.384 1 1 14 . 8 1 1 A 6 6 ASP HA H 6 4.860 4.824 0.036 1 1 17 . 8 1 1 A 6 6 ASP CA C 6 52.500 52.374 0.126 1 1 18 . 8 1 1 A 6 6 ASP CB C 6 41.100 40.705 0.395 1 1 19 . 8 1 1 A 6 6 ASP N N 6 124.400 126.005 -1.605 1 1 20 . 8 1 1 A 7 7 PRO HA H 7 4.350 4.693 -0.343 1 1 26 . 8 1 1 A 7 7 PRO C C 7 176.900 176.889 0.011 1 1 27 . 8 1 1 A 7 7 PRO CA C 7 63.500 61.937 1.563 1 1 28 . 8 1 1 A 7 7 PRO CB C 7 32.100 29.415 2.685 1 1 31 . 8 1 1 A 8 8 ALA H H 8 8.420 8.366 0.054 1 1 32 . 8 1 1 A 8 8 ALA HA H 8 4.260 4.010 0.250 1 1 36 . 8 1 1 A 8 8 ALA C C 8 178.100 179.243 -1.143 1 1 37 . 8 1 1 A 8 8 ALA CA C 8 52.900 54.450 -1.550 1 1 38 . 8 1 1 A 8 8 ALA CB C 8 19.200 18.312 0.888 1 1 39 . 8 1 1 A 8 8 ALA N N 8 122.700 127.546 -4.846 1 1 40 . 8 1 1 A 9 9 THR H H 9 7.880 7.932 -0.052 1 1 41 . 8 1 1 A 9 9 THR HA H 9 4.230 4.305 -0.075 1 1 46 . 8 1 1 A 9 9 THR C C 9 173.800 175.237 -1.437 1 1 47 . 8 1 1 A 9 9 THR CA C 9 61.700 63.784 -2.084 1 1 48 . 8 1 1 A 9 9 THR CB C 9 69.700 69.010 0.690 1 1 50 . 8 1 1 A 9 9 THR N N 9 112.900 110.643 2.257 1 1 51 . 8 1 1 A 10 10 ALA H H 10 8.160 8.183 -0.023 1 1 52 . 8 1 1 A 10 10 ALA HA H 10 4.340 4.536 -0.196 1 1 56 . 8 1 1 A 10 10 ALA C C 10 177.000 176.507 0.493 1 1 57 . 8 1 1 A 10 10 ALA CA C 10 52.300 51.123 1.177 1 1 58 . 8 1 1 A 10 10 ALA CB C 10 19.400 20.177 -0.777 1 1 59 . 8 1 1 A 10 10 ALA N N 10 127.000 123.562 3.438 1 1 60 . 8 1 1 A 11 11 LEU H H 11 8.040 6.995 1.045 1 1 61 . 8 1 1 A 11 11 LEU HA H 11 4.640 4.441 0.199 1 1 70 . 8 1 1 A 11 11 LEU C C 11 178.300 175.750 2.550 1 1 71 . 8 1 1 A 11 11 LEU CA C 11 54.000 54.297 -0.297 1 1 72 . 8 1 1 A 11 11 LEU CB C 11 42.900 40.904 1.996 1 1 75 . 8 1 1 A 11 11 LEU N N 11 121.500 120.912 0.588 1 1 76 . 8 1 1 A 12 12 ASN H H 12 9.700 8.311 1.389 1 1 77 . 8 1 1 A 12 12 ASN HA H 12 4.760 4.970 -0.210 1 1 80 . 8 1 1 A 12 12 ASN C C 12 174.700 173.788 0.912 1 1 81 . 8 1 1 A 12 12 ASN CA C 12 54.100 52.909 1.191 1 1 82 . 8 1 1 A 12 12 ASN CB C 12 38.100 37.125 0.975 1 1 83 . 8 1 1 A 12 12 ASN N N 12 121.500 124.313 -2.813 1 1 84 . 8 1 1 A 13 13 THR H H 13 8.710 8.243 0.467 1 1 85 . 8 1 1 A 13 13 THR HA H 13 4.760 5.006 -0.246 1 1 90 . 8 1 1 A 13 13 THR C C 13 173.600 174.144 -0.544 1 1 91 . 8 1 1 A 13 13 THR CA C 13 61.900 61.783 0.117 1 1 92 . 8 1 1 A 13 13 THR CB C 13 71.500 71.389 0.111 1 1 94 . 8 1 1 A 13 13 THR N N 13 121.800 121.111 0.689 1 1 95 . 8 1 1 A 14 14 VAL H H 14 9.500 9.089 0.411 1 1 96 . 8 1 1 A 14 14 VAL HA H 14 4.660 3.967 0.693 1 1 104 . 8 1 1 A 14 14 VAL C C 14 177.000 175.185 1.815 1 1 105 . 8 1 1 A 14 14 VAL CA C 14 63.800 63.694 0.106 1 1 106 . 8 1 1 A 14 14 VAL CB C 14 30.600 31.081 -0.481 1 1 109 . 8 1 1 A 14 14 VAL N N 14 126.700 126.609 0.091 1 1 110 . 8 1 1 A 15 15 THR H H 15 8.900 8.428 0.472 1 1 111 . 8 1 1 A 15 15 THR HA H 15 4.300 4.158 0.142 1 1 116 . 8 1 1 A 15 15 THR C C 15 174.900 174.656 0.244 1 1 117 . 8 1 1 A 15 15 THR CA C 15 62.800 64.147 -1.347 1 1 118 . 8 1 1 A 15 15 THR CB C 15 68.700 69.094 -0.394 1 1 120 . 8 1 1 A 15 15 THR N N 15 122.000 123.349 -1.349 1 1 121 . 8 1 1 A 16 16 ALA H H 16 7.960 7.876 0.084 1 1 122 . 8 1 1 A 16 16 ALA HA H 16 4.360 4.479 -0.119 1 1 126 . 8 1 1 A 16 16 ALA C C 16 174.400 174.778 -0.378 1 1 127 . 8 1 1 A 16 16 ALA CA C 16 52.600 50.550 2.050 1 1 128 . 8 1 1 A 16 16 ALA CB C 16 21.900 23.155 -1.255 1 1 129 . 8 1 1 A 16 16 ALA N N 16 120.900 119.480 1.420 1 1 130 . 8 1 1 A 17 17 TYR H H 17 7.790 8.802 -1.012 1 1 131 . 8 1 1 A 17 17 TYR HA H 17 4.390 5.389 -0.999 1 1 136 . 8 1 1 A 17 17 TYR C C 17 173.000 175.246 -2.246 1 1 137 . 8 1 1 A 17 17 TYR CA C 17 56.400 56.050 0.350 1 1 138 . 8 1 1 A 17 17 TYR CB C 17 39.700 40.335 -0.635 1 1 141 . 8 1 1 A 17 17 TYR N N 17 114.800 118.858 -4.058 1 1 142 . 8 1 1 A 18 18 GLY H H 18 7.030 8.681 -1.651 1 1 143 . 8 1 1 A 18 18 GLY HA2 H 18 3.210 2.970 0.240 1 1 144 . 8 1 1 A 18 18 GLY HA3 H 18 3.900 3.974 -0.074 1 1 145 . 8 1 1 A 18 18 GLY C C 18 172.200 171.483 0.717 1 1 146 . 8 1 1 A 18 18 GLY CA C 18 44.900 43.292 1.608 1 1 147 . 8 1 1 A 18 18 GLY N N 18 108.600 111.853 -3.253 1 1 148 . 8 1 1 A 19 19 ASP H H 19 8.410 8.529 -0.119 1 1 149 . 8 1 1 A 19 19 ASP HA H 19 4.320 4.424 -0.104 1 1 152 . 8 1 1 A 19 19 ASP C C 19 176.500 176.858 -0.358 1 1 153 . 8 1 1 A 19 19 ASP CA C 19 55.600 54.979 0.621 1 1 154 . 8 1 1 A 19 19 ASP CB C 19 39.500 40.682 -1.182 1 1 155 . 8 1 1 A 19 19 ASP N N 19 120.400 121.471 -1.071 1 1 156 . 8 1 1 A 20 20 GLY H H 20 8.670 8.267 0.403 1 1 157 . 8 1 1 A 20 20 GLY HA2 H 20 3.670 4.044 -0.374 1 1 158 . 8 1 1 A 20 20 GLY HA3 H 20 4.210 4.097 0.113 1 1 159 . 8 1 1 A 20 20 GLY C C 20 173.900 173.295 0.605 1 1 160 . 8 1 1 A 20 20 GLY CA C 20 45.800 45.590 0.210 1 1 161 . 8 1 1 A 20 20 GLY N N 20 113.500 112.913 0.587 1 1 162 . 8 1 1 A 21 21 TYR H H 21 7.530 7.179 0.351 1 1 163 . 8 1 1 A 21 21 TYR HA H 21 5.480 5.073 0.407 1 1 168 . 8 1 1 A 21 21 TYR C C 21 172.800 173.096 -0.296 1 1 169 . 8 1 1 A 21 21 TYR CA C 21 56.700 56.319 0.381 1 1 170 . 8 1 1 A 21 21 TYR CB C 21 41.400 40.191 1.209 1 1 173 . 8 1 1 A 21 21 TYR N N 21 114.300 115.284 -0.984 1 1 174 . 8 1 1 A 22 22 ILE H H 22 8.780 9.118 -0.338 1 1 175 . 8 1 1 A 22 22 ILE HA H 22 4.350 4.718 -0.368 1 1 185 . 8 1 1 A 22 22 ILE C C 22 173.800 174.888 -1.088 1 1 186 . 8 1 1 A 22 22 ILE CA C 22 60.200 60.153 0.047 1 1 187 . 8 1 1 A 22 22 ILE CB C 22 41.700 40.048 1.652 1 1 191 . 8 1 1 A 22 22 ILE N N 22 119.300 121.267 -1.967 1 1 192 . 8 1 1 A 23 23 GLU H H 23 9.010 8.826 0.184 1 1 193 . 8 1 1 A 23 23 GLU HA H 23 5.680 5.172 0.508 1 1 198 . 8 1 1 A 23 23 GLU C C 23 175.000 175.226 -0.226 1 1 199 . 8 1 1 A 23 23 GLU CA C 23 54.300 54.762 -0.462 1 1 200 . 8 1 1 A 23 23 GLU CB C 23 33.500 32.290 1.210 1 1 202 . 8 1 1 A 23 23 GLU N N 23 127.800 127.506 0.294 1 1 203 . 8 1 1 A 24 24 VAL H H 24 8.980 8.593 0.387 1 1 204 . 8 1 1 A 24 24 VAL HA H 24 4.840 4.684 0.156 1 1 212 . 8 1 1 A 24 24 VAL C C 24 177.300 176.045 1.255 1 1 213 . 8 1 1 A 24 24 VAL CA C 24 60.600 61.138 -0.538 1 1 214 . 8 1 1 A 24 24 VAL CB C 24 33.600 34.166 -0.566 1 1 217 . 8 1 1 A 24 24 VAL N N 24 125.400 127.134 -1.734 1 1 218 . 8 1 1 A 25 25 ASN H H 25 9.340 9.459 -0.119 1 1 219 . 8 1 1 A 25 25 ASN HA H 25 4.340 4.313 0.027 1 1 222 . 8 1 1 A 25 25 ASN C C 25 173.800 174.216 -0.416 1 1 223 . 8 1 1 A 25 25 ASN CA C 25 54.600 54.321 0.279 1 1 224 . 8 1 1 A 25 25 ASN CB C 25 36.600 37.165 -0.565 1 1 225 . 8 1 1 A 25 25 ASN N N 25 127.800 126.761 1.039 1 1 226 . 8 1 1 A 26 26 GLN H H 26 7.920 8.962 -1.042 1 1 227 . 8 1 1 A 26 26 GLN HA H 26 3.670 3.826 -0.156 1 1 232 . 8 1 1 A 26 26 GLN C C 26 174.400 174.511 -0.111 1 1 233 . 8 1 1 A 26 26 GLN CA C 26 58.100 57.254 0.846 1 1 234 . 8 1 1 A 26 26 GLN CB C 26 26.500 26.805 -0.305 1 1 236 . 8 1 1 A 26 26 GLN N N 26 104.100 110.016 -5.916 1 1 237 . 8 1 1 A 27 27 VAL H H 27 7.850 7.618 0.232 1 1 238 . 8 1 1 A 27 27 VAL HA H 27 3.900 3.934 -0.034 1 1 246 . 8 1 1 A 27 27 VAL C C 27 174.200 174.674 -0.474 1 1 247 . 8 1 1 A 27 27 VAL CA C 27 62.100 61.612 0.488 1 1 248 . 8 1 1 A 27 27 VAL CB C 27 32.500 32.076 0.424 1 1 251 . 8 1 1 A 27 27 VAL N N 27 123.100 119.691 3.409 1 1 252 . 8 1 1 A 28 28 ARG H H 28 8.430 8.463 -0.033 1 1 253 . 8 1 1 A 28 28 ARG HA H 28 4.320 4.587 -0.267 1 1 256 . 8 1 1 A 28 28 ARG C C 28 175.200 174.519 0.681 1 1 257 . 8 1 1 A 28 28 ARG CA C 28 57.100 56.309 0.791 1 1 258 . 8 1 1 A 28 28 ARG CB C 28 31.300 30.494 0.806 1 1 259 . 8 1 1 A 28 28 ARG N N 28 126.200 127.926 -1.726 1 1 260 . 8 1 1 A 29 29 PHE H H 29 9.290 9.667 -0.377 1 1 261 . 8 1 1 A 29 29 PHE HA H 29 4.580 4.926 -0.346 1 1 266 . 8 1 1 A 29 29 PHE C C 29 175.800 175.288 0.512 1 1 267 . 8 1 1 A 29 29 PHE CA C 29 57.700 56.544 1.156 1 1 268 . 8 1 1 A 29 29 PHE CB C 29 42.000 38.595 3.405 1 1 271 . 8 1 1 A 29 29 PHE N N 29 123.900 127.162 -3.262 1 1 272 . 8 1 1 A 30 30 SER H H 30 8.950 8.935 0.015 1 1 273 . 8 1 1 A 30 30 SER HA H 30 5.130 4.844 0.286 1 1 276 . 8 1 1 A 30 30 SER C C 30 172.900 173.463 -0.563 1 1 277 . 8 1 1 A 30 30 SER CA C 30 57.000 58.364 -1.364 1 1 278 . 8 1 1 A 30 30 SER CB C 30 63.200 63.698 -0.498 1 1 279 . 8 1 1 A 30 30 SER N N 30 119.400 121.542 -2.142 1 1 280 . 8 1 1 A 31 31 HIS H H 31 7.170 7.389 -0.219 1 1 281 . 8 1 1 A 31 31 HIS HA H 31 4.840 5.246 -0.406 1 1 284 . 8 1 1 A 31 31 HIS C C 31 171.900 172.913 -1.013 1 1 285 . 8 1 1 A 31 31 HIS CA C 31 53.200 54.063 -0.863 1 1 286 . 8 1 1 A 31 31 HIS CB C 31 31.100 32.319 -1.219 1 1 287 . 8 1 1 A 31 31 HIS N N 31 114.600 117.071 -2.471 1 1 288 . 8 1 1 A 32 32 ALA H H 32 8.930 8.547 0.383 1 1 289 . 8 1 1 A 32 32 ALA HA H 32 5.050 4.651 0.399 1 1 293 . 8 1 1 A 32 32 ALA C C 32 179.000 177.888 1.112 1 1 294 . 8 1 1 A 32 32 ALA CA C 32 53.700 52.859 0.841 1 1 295 . 8 1 1 A 32 32 ALA CB C 32 20.700 19.407 1.293 1 1 296 . 8 1 1 A 32 32 ALA N N 32 120.200 122.506 -2.306 1 1 297 . 8 1 1 A 33 33 ILE H H 33 8.280 8.574 -0.294 1 1 298 . 8 1 1 A 33 33 ILE HA H 33 5.520 5.312 0.208 1 1 308 . 8 1 1 A 33 33 ILE C C 33 173.400 174.509 -1.109 1 1 309 . 8 1 1 A 33 33 ILE CA C 33 59.500 59.357 0.143 1 1 310 . 8 1 1 A 33 33 ILE CB C 33 44.500 42.295 2.205 1 1 313 . 8 1 1 A 33 33 ILE N N 33 115.800 117.955 -2.155 1 1 314 . 8 1 1 A 34 34 ALA H H 34 8.900 8.916 -0.016 1 1 315 . 8 1 1 A 34 34 ALA HA H 34 5.290 5.496 -0.206 1 1 319 . 8 1 1 A 34 34 ALA C C 34 176.100 175.732 0.368 1 1 320 . 8 1 1 A 34 34 ALA CA C 34 51.100 50.669 0.431 1 1 321 . 8 1 1 A 34 34 ALA CB C 34 21.900 21.934 -0.034 1 1 322 . 8 1 1 A 34 34 ALA N N 34 121.600 124.867 -3.267 1 1 323 . 8 1 1 A 35 35 PHE H H 35 8.580 8.252 0.328 1 1 324 . 8 1 1 A 35 35 PHE HA H 35 4.740 5.475 -0.735 1 1 330 . 8 1 1 A 35 35 PHE C C 35 170.000 172.628 -2.628 1 1 331 . 8 1 1 A 35 35 PHE CA C 35 57.100 55.685 1.415 1 1 332 . 8 1 1 A 35 35 PHE CB C 35 39.700 42.087 -2.387 1 1 336 . 8 1 1 A 35 35 PHE N N 35 116.600 117.633 -1.033 1 1 337 . 8 1 1 A 36 36 ALA H H 36 8.730 8.261 0.469 1 1 338 . 8 1 1 A 36 36 ALA HA H 36 5.170 5.310 -0.140 1 1 342 . 8 1 1 A 36 36 ALA CA C 36 49.100 49.787 -0.687 1 1 343 . 8 1 1 A 36 36 ALA CB C 36 20.500 22.174 -1.674 1 1 344 . 8 1 1 A 36 36 ALA N N 36 123.400 121.531 1.869 1 1 345 . 8 1 1 A 37 37 PRO HA H 37 4.740 4.488 0.252 1 1 350 . 8 1 1 A 37 37 PRO C C 37 176.500 177.161 -0.661 1 1 351 . 8 1 1 A 37 37 PRO CA C 37 66.200 64.638 1.562 1 1 352 . 8 1 1 A 37 37 PRO CB C 37 33.600 32.039 1.561 1 1 354 . 8 1 1 A 38 38 GLU H H 38 7.450 8.086 -0.636 1 1 355 . 8 1 1 A 38 38 GLU HA H 38 4.790 4.621 0.169 1 1 360 . 8 1 1 A 38 38 GLU C C 38 177.300 176.115 1.185 1 1 361 . 8 1 1 A 38 38 GLU CA C 38 54.200 55.752 -1.552 1 1 362 . 8 1 1 A 38 38 GLU CB C 38 32.600 30.471 2.129 1 1 364 . 8 1 1 A 38 38 GLU N N 38 110.100 117.541 -7.441 1 1 365 . 8 1 1 A 39 39 GLY H H 39 8.600 7.743 0.857 1 1 366 . 8 1 1 A 39 39 GLY HA2 H 39 3.920 4.169 -0.249 1 1 367 . 8 1 1 A 39 39 GLY HA3 H 39 4.440 4.177 0.263 1 1 368 . 8 1 1 A 39 39 GLY CA C 39 44.400 44.875 -0.475 1 1 369 . 8 1 1 A 39 39 GLY N N 39 109.500 109.328 0.172 1 1 370 . 8 1 1 A 40 40 PRO HA H 40 4.550 4.653 -0.103 1 1 375 . 8 1 1 A 40 40 PRO C C 40 177.100 175.383 1.717 1 1 376 . 8 1 1 A 40 40 PRO CA C 40 62.500 62.398 0.102 1 1 377 . 8 1 1 A 40 40 PRO CB C 40 32.700 33.184 -0.484 1 1 378 . 8 1 1 A 41 41 VAL H H 41 8.530 8.393 0.137 1 1 379 . 8 1 1 A 41 41 VAL HA H 41 3.900 4.500 -0.600 1 1 387 . 8 1 1 A 41 41 VAL C C 41 175.200 175.362 -0.162 1 1 388 . 8 1 1 A 41 41 VAL CA C 41 63.000 61.081 1.919 1 1 389 . 8 1 1 A 41 41 VAL CB C 41 31.100 32.903 -1.803 1 1 392 . 8 1 1 A 41 41 VAL N N 41 123.000 119.224 3.776 1 1 393 . 8 1 1 A 42 42 ALA H H 42 8.320 9.622 -1.302 1 1 394 . 8 1 1 A 42 42 ALA HA H 42 4.750 5.254 -0.504 1 1 398 . 8 1 1 A 42 42 ALA C C 42 177.400 176.155 1.245 1 1 399 . 8 1 1 A 42 42 ALA CA C 42 50.800 50.202 0.598 1 1 400 . 8 1 1 A 42 42 ALA CB C 42 21.400 22.338 -0.938 1 1 401 . 8 1 1 A 42 42 ALA N N 42 131.300 131.311 -0.011 1 1 402 . 8 1 1 A 43 43 SER H H 43 8.660 8.668 -0.008 1 1 403 . 8 1 1 A 43 43 SER HA H 43 4.690 5.214 -0.524 1 1 406 . 8 1 1 A 43 43 SER CA C 43 59.000 57.108 1.892 1 1 407 . 8 1 1 A 43 43 SER CB C 43 62.800 64.711 -1.911 1 1 408 . 8 1 1 A 43 43 SER N N 43 115.400 114.242 1.158 1 1 409 . 8 1 1 A 44 44 TRP HA H 44 5.470 5.086 0.384 1 1 418 . 8 1 1 A 44 44 TRP CA C 44 52.200 55.571 -3.371 1 1 419 . 8 1 1 A 44 44 TRP CB C 44 31.000 30.991 0.009 1 1 426 . 8 1 1 A 45 45 PRO HA H 45 4.550 4.426 0.124 1 1 431 . 8 1 1 A 45 45 PRO C C 45 173.000 176.094 -3.094 1 1 432 . 8 1 1 A 45 45 PRO CA C 45 63.300 63.685 -0.385 1 1 433 . 8 1 1 A 45 45 PRO CB C 45 27.800 31.639 -3.839 1 1 435 . 8 1 1 A 46 46 VAL H H 46 8.390 7.495 0.895 1 1 436 . 8 1 1 A 46 46 VAL HA H 46 3.770 3.840 -0.070 1 1 444 . 8 1 1 A 46 46 VAL C C 46 174.100 175.427 -1.327 1 1 445 . 8 1 1 A 46 46 VAL CA C 46 61.100 61.519 -0.419 1 1 446 . 8 1 1 A 46 46 VAL CB C 46 35.200 31.808 3.392 1 1 449 . 8 1 1 A 46 46 VAL N N 46 124.300 120.910 3.390 1 1 450 . 8 1 1 A 47 47 GLN H H 47 8.970 8.657 0.313 1 1 451 . 8 1 1 A 47 47 GLN HA H 47 4.430 4.598 -0.168 1 1 456 . 8 1 1 A 47 47 GLN C C 47 175.100 175.659 -0.559 1 1 457 . 8 1 1 A 47 47 GLN CA C 47 56.400 56.872 -0.472 1 1 458 . 8 1 1 A 47 47 GLN CB C 47 30.900 30.553 0.347 1 1 459 . 8 1 1 A 47 47 GLN N N 47 122.000 125.603 -3.603 1 1 460 . 8 1 1 A 48 48 ARG H H 48 7.720 7.632 0.088 1 1 461 . 8 1 1 A 48 48 ARG HA H 48 4.750 4.716 0.034 1 1 468 . 8 1 1 A 48 48 ARG CA C 48 52.800 53.688 -0.888 1 1 469 . 8 1 1 A 48 48 ARG CB C 48 30.500 31.962 -1.462 1 1 471 . 8 1 1 A 48 48 ARG N N 48 116.600 116.878 -0.278 1 1 472 . 8 1 1 A 49 49 PRO HA H 49 3.750 4.416 -0.666 1 1 477 . 8 1 1 A 49 49 PRO C C 49 177.500 176.946 0.554 1 1 478 . 8 1 1 A 49 49 PRO CA C 49 65.400 64.304 1.096 1 1 479 . 8 1 1 A 49 49 PRO CB C 49 30.700 31.790 -1.090 1 1 481 . 8 1 1 A 50 50 ALA H H 50 7.960 8.082 -0.122 1 1 482 . 8 1 1 A 50 50 ALA HA H 50 4.010 3.492 0.518 1 1 486 . 8 1 1 A 50 50 ALA C C 50 177.300 177.168 0.132 1 1 487 . 8 1 1 A 50 50 ALA CA C 50 53.800 53.406 0.394 1 1 488 . 8 1 1 A 50 50 ALA CB C 50 18.500 18.652 -0.152 1 1 489 . 8 1 1 A 50 50 ALA N N 50 117.200 119.522 -2.322 1 1 490 . 8 1 1 A 51 51 ASP H H 51 7.570 7.759 -0.189 1 1 491 . 8 1 1 A 51 51 ASP HA H 51 4.410 4.732 -0.322 1 1 494 . 8 1 1 A 51 51 ASP C C 51 176.000 174.194 1.806 1 1 495 . 8 1 1 A 51 51 ASP CA C 51 54.200 52.993 1.207 1 1 496 . 8 1 1 A 51 51 ASP CB C 51 41.900 40.981 0.919 1 1 497 . 8 1 1 A 51 51 ASP N N 51 114.800 116.904 -2.104 1 1 498 . 8 1 1 A 52 52 ILE H H 52 7.290 7.953 -0.663 1 1 499 . 8 1 1 A 52 52 ILE HA H 52 3.100 4.547 -1.447 1 1 509 . 8 1 1 A 52 52 ILE C C 52 174.800 175.162 -0.362 1 1 510 . 8 1 1 A 52 52 ILE CA C 52 65.100 60.469 4.631 1 1 511 . 8 1 1 A 52 52 ILE CB C 52 37.100 39.312 -2.212 1 1 515 . 8 1 1 A 52 52 ILE N N 52 117.700 123.899 -6.199 1 1 516 . 8 1 1 A 53 53 THR H H 53 6.560 8.637 -2.077 1 1 517 . 8 1 1 A 53 53 THR HA H 53 4.720 4.702 0.018 1 1 522 . 8 1 1 A 53 53 THR C C 53 174.600 176.149 -1.549 1 1 523 . 8 1 1 A 53 53 THR CA C 53 58.500 61.663 -3.163 1 1 524 . 8 1 1 A 53 53 THR CB C 53 72.900 70.392 2.508 1 1 526 . 8 1 1 A 53 53 THR N N 53 117.300 122.377 -5.077 1 1 527 . 8 1 1 A 54 54 ALA H H 54 9.340 9.080 0.260 1 1 528 . 8 1 1 A 54 54 ALA HA H 54 4.460 4.157 0.303 1 1 532 . 8 1 1 A 54 54 ALA C C 54 167.400 179.960 -12.560 1 1 533 . 8 1 1 A 54 54 ALA CA C 54 55.800 55.749 0.051 1 1 534 . 8 1 1 A 54 54 ALA CB C 54 18.200 18.144 0.056 1 1 535 . 8 1 1 A 54 54 ALA N N 54 123.800 126.927 -3.127 1 1 536 . 8 1 1 A 55 55 SER H H 55 8.530 8.152 0.378 1 1 537 . 8 1 1 A 55 55 SER HA H 55 4.280 4.155 0.125 1 1 541 . 8 1 1 A 55 55 SER C C 55 177.700 176.502 1.198 1 1 542 . 8 1 1 A 55 55 SER CA C 55 61.600 61.978 -0.378 1 1 543 . 8 1 1 A 55 55 SER CB C 55 62.600 62.776 -0.176 1 1 544 . 8 1 1 A 55 55 SER N N 55 112.600 113.522 -0.922 1 1 545 . 8 1 1 A 56 56 LEU H H 56 7.810 8.084 -0.274 1 1 546 . 8 1 1 A 56 56 LEU HA H 56 4.280 4.353 -0.073 1 1 556 . 8 1 1 A 56 56 LEU C C 56 168.100 179.870 -11.770 1 1 557 . 8 1 1 A 56 56 LEU CA C 56 57.900 57.811 0.089 1 1 558 . 8 1 1 A 56 56 LEU CB C 56 42.100 41.190 0.910 1 1 562 . 8 1 1 A 56 56 LEU N N 56 122.500 120.935 1.565 1 1 563 . 8 1 1 A 57 57 LEU H H 57 8.490 8.087 0.403 1 1 564 . 8 1 1 A 57 57 LEU HA H 57 4.180 4.143 0.037 1 1 574 . 8 1 1 A 57 57 LEU C C 57 178.000 179.293 -1.293 1 1 575 . 8 1 1 A 57 57 LEU CA C 57 58.300 58.220 0.080 1 1 576 . 8 1 1 A 57 57 LEU CB C 57 41.200 41.027 0.173 1 1 580 . 8 1 1 A 57 57 LEU N N 57 123.900 119.487 4.413 1 1 581 . 8 1 1 A 58 58 GLN H H 58 8.500 8.557 -0.057 1 1 582 . 8 1 1 A 58 58 GLN HA H 58 3.680 4.027 -0.347 1 1 589 . 8 1 1 A 58 58 GLN C C 58 178.200 179.033 -0.833 1 1 590 . 8 1 1 A 58 58 GLN CA C 58 60.200 59.343 0.857 1 1 591 . 8 1 1 A 58 58 GLN CB C 58 28.500 28.278 0.222 1 1 593 . 8 1 1 A 58 58 GLN N N 58 118.800 118.996 -0.196 1 1 595 . 8 1 1 A 59 59 GLN H H 59 8.300 7.970 0.330 1 1 596 . 8 1 1 A 59 59 GLN HA H 59 4.090 4.091 -0.001 1 1 601 . 8 1 1 A 59 59 GLN C C 59 179.900 178.849 1.051 1 1 602 . 8 1 1 A 59 59 GLN CA C 59 58.900 58.791 0.109 1 1 603 . 8 1 1 A 59 59 GLN CB C 59 28.800 28.500 0.300 1 1 605 . 8 1 1 A 59 59 GLN N N 59 118.600 119.361 -0.761 1 1 606 . 8 1 1 A 60 60 ALA H H 60 7.850 7.855 -0.005 1 1 607 . 8 1 1 A 60 60 ALA HA H 60 3.580 3.983 -0.403 1 1 611 . 8 1 1 A 60 60 ALA C C 60 176.700 178.897 -2.197 1 1 612 . 8 1 1 A 60 60 ALA CA C 60 54.700 53.855 0.845 1 1 613 . 8 1 1 A 60 60 ALA CB C 60 17.400 17.761 -0.361 1 1 614 . 8 1 1 A 60 60 ALA N N 60 122.500 121.599 0.901 1 1 615 . 8 1 1 A 61 61 ALA H H 61 7.540 7.333 0.207 1 1 616 . 8 1 1 A 61 61 ALA HA H 61 3.970 4.299 -0.329 1 1 620 . 8 1 1 A 61 61 ALA C C 61 176.300 177.668 -1.368 1 1 621 . 8 1 1 A 61 61 ALA CA C 61 52.400 51.957 0.443 1 1 622 . 8 1 1 A 61 61 ALA CB C 61 19.100 19.488 -0.388 1 1 623 . 8 1 1 A 61 61 ALA N N 61 113.700 118.193 -4.493 1 1 624 . 8 1 1 A 62 62 GLY H H 62 7.600 7.703 -0.103 1 1 625 . 8 1 1 A 62 62 GLY HA2 H 62 3.890 3.932 -0.042 1 1 626 . 8 1 1 A 62 62 GLY HA3 H 62 3.980 3.938 0.042 1 1 627 . 8 1 1 A 62 62 GLY C C 62 175.400 175.251 0.149 1 1 628 . 8 1 1 A 62 62 GLY CA C 62 45.800 45.873 -0.073 1 1 629 . 8 1 1 A 62 62 GLY N N 62 104.800 106.145 -1.345 1 1 630 . 8 1 1 A 63 63 LEU H H 63 7.770 7.809 -0.039 1 1 631 . 8 1 1 A 63 63 LEU HA H 63 4.430 4.262 0.168 1 1 640 . 8 1 1 A 63 63 LEU C C 63 176.400 178.301 -1.901 1 1 641 . 8 1 1 A 63 63 LEU CA C 63 54.000 56.176 -2.176 1 1 642 . 8 1 1 A 63 63 LEU CB C 63 42.500 41.464 1.036 1 1 645 . 8 1 1 A 63 63 LEU N N 63 119.100 120.911 -1.811 1 1 646 . 8 1 1 A 64 64 ALA H H 64 8.060 7.834 0.226 1 1 647 . 8 1 1 A 64 64 ALA HA H 64 4.160 4.176 -0.016 1 1 651 . 8 1 1 A 64 64 ALA C C 64 177.300 179.403 -2.103 1 1 652 . 8 1 1 A 64 64 ALA CA C 64 52.700 53.978 -1.278 1 1 653 . 8 1 1 A 64 64 ALA CB C 64 19.700 18.645 1.055 1 1 654 . 8 1 1 A 64 64 ALA N N 64 122.900 121.511 1.389 1 1 655 . 8 1 1 A 65 65 GLU H H 65 8.260 7.656 0.604 1 1 656 . 8 1 1 A 65 65 GLU C C 65 176.300 178.894 -2.594 1 1 657 . 8 1 1 A 65 65 GLU CA C 65 56.400 58.926 -2.526 1 1 658 . 8 1 1 A 65 65 GLU CB C 65 30.100 29.572 0.528 1 1 659 . 8 1 1 A 65 65 GLU N N 65 118.900 119.065 -0.165 1 1 660 . 8 1 1 A 66 66 VAL H H 66 7.960 7.730 0.230 1 1 661 . 8 1 1 A 66 66 VAL HA H 66 4.020 3.965 0.055 1 1 663 . 8 1 1 A 66 66 VAL C C 66 175.900 176.828 -0.928 1 1 664 . 8 1 1 A 66 66 VAL CA C 66 62.300 64.897 -2.597 1 1 665 . 8 1 1 A 66 66 VAL CB C 66 32.800 31.435 1.365 1 1 666 . 8 1 1 A 66 66 VAL N N 66 121.500 118.681 2.819 1 1 667 . 8 1 1 A 67 67 VAL H H 67 8.210 7.660 0.550 1 1 668 . 8 1 1 A 67 67 VAL C C 67 175.800 177.589 -1.789 1 1 669 . 8 1 1 A 67 67 VAL CA C 67 62.200 66.450 -4.250 1 1 670 . 8 1 1 A 67 67 VAL CB C 67 32.600 31.298 1.302 1 1 671 . 8 1 1 A 67 67 VAL N N 67 124.900 121.578 3.322 1 1 672 . 8 1 1 A 68 68 ARG H H 68 8.380 7.889 0.491 1 1 673 . 8 1 1 A 68 68 ARG HA H 68 4.270 4.146 0.124 1 1 674 . 8 1 1 A 68 68 ARG C C 68 175.400 176.564 -1.164 1 1 675 . 8 1 1 A 68 68 ARG CA C 68 55.700 58.632 -2.932 1 1 676 . 8 1 1 A 68 68 ARG CB C 68 31.100 30.667 0.433 1 1 677 . 8 1 1 A 68 68 ARG N N 68 125.900 119.734 6.166 1 1 678 . 8 1 1 A 69 69 ASP H H 69 8.390 7.811 0.579 1 1 679 . 8 1 1 A 69 69 ASP HA H 69 4.800 4.904 -0.104 1 1 682 . 8 1 1 A 69 69 ASP CA C 69 51.700 50.870 0.830 1 1 683 . 8 1 1 A 69 69 ASP CB C 69 41.700 42.827 -1.127 1 1 684 . 8 1 1 A 69 69 ASP N N 69 123.600 116.489 7.111 1 1 685 . 8 1 1 A 70 70 PRO HA H 70 4.290 4.266 0.024 1 1 688 . 8 1 1 A 70 70 PRO C C 70 177.500 177.136 0.364 1 1 689 . 8 1 1 A 70 70 PRO CA C 70 64.100 63.689 0.411 1 1 690 . 8 1 1 A 70 70 PRO CB C 70 32.300 31.870 0.430 1 1 691 . 8 1 1 A 71 71 LEU H H 71 8.280 7.535 0.745 1 1 692 . 8 1 1 A 71 71 LEU HA H 71 4.260 3.740 0.520 1 1 698 . 8 1 1 A 71 71 LEU C C 71 177.600 176.537 1.063 1 1 699 . 8 1 1 A 71 71 LEU CA C 71 55.100 56.587 -1.487 1 1 700 . 8 1 1 A 71 71 LEU CB C 71 41.200 41.455 -0.255 1 1 702 . 8 1 1 A 71 71 LEU N N 71 118.400 118.414 -0.014 1 1 703 . 8 1 1 A 72 72 ALA H H 72 7.660 7.199 0.461 1 1 704 . 8 1 1 A 72 72 ALA HA H 72 4.170 4.368 -0.198 1 1 708 . 8 1 1 A 72 72 ALA C C 72 177.400 176.107 1.293 1 1 709 . 8 1 1 A 72 72 ALA CA C 72 52.600 51.126 1.474 1 1 710 . 8 1 1 A 72 72 ALA CB C 72 19.200 18.488 0.712 1 1 711 . 8 1 1 A 72 72 ALA N N 72 122.900 119.939 2.961 1 1 712 . 8 1 1 A 73 73 PHE H H 73 7.940 8.658 -0.718 1 1 713 . 8 1 1 A 73 73 PHE HA H 73 4.510 4.523 -0.013 1 1 717 . 8 1 1 A 73 73 PHE C C 73 175.600 176.334 -0.734 1 1 718 . 8 1 1 A 73 73 PHE CA C 73 57.800 58.990 -1.190 1 1 719 . 8 1 1 A 73 73 PHE CB C 73 39.100 39.302 -0.202 1 1 720 . 8 1 1 A 73 73 PHE N N 73 118.200 123.735 -5.535 1 1 721 . 8 1 1 A 74 74 LEU H H 74 7.890 8.751 -0.861 1 1 722 . 8 1 1 A 74 74 LEU CA C 74 55.200 57.634 -2.434 1 1 723 . 8 1 1 A 74 74 LEU CB C 74 42.400 42.467 -0.067 1 1 724 . 8 1 1 A 74 74 LEU N N 74 122.600 126.198 -3.598 1 1 725 . 8 1 1 A 78 78 GLU C C 78 176.600 176.333 0.267 1 1 726 . 8 1 1 A 78 78 GLU CA C 78 57.500 57.536 -0.036 1 1 727 . 8 1 1 A 78 78 GLU CB C 78 30.100 30.072 0.028 1 1 728 . 8 1 1 A 79 79 ALA H H 79 8.460 7.785 0.675 1 1 729 . 8 1 1 A 79 79 ALA C C 79 178.300 176.387 1.913 1 1 730 . 8 1 1 A 79 79 ALA CA C 79 52.900 50.554 2.346 1 1 731 . 8 1 1 A 79 79 ALA CB C 79 19.200 19.745 -0.545 1 1 732 . 8 1 1 A 79 79 ALA N N 79 124.700 122.261 2.439 1 1 733 . 8 1 1 A 80 80 GLY H H 80 8.330 8.259 0.071 1 1 734 . 8 1 1 A 80 80 GLY C C 80 174.100 172.184 1.916 1 1 735 . 8 1 1 A 80 80 GLY CA C 80 45.100 43.968 1.132 1 1 736 . 8 1 1 A 80 80 GLY N N 80 108.200 110.632 -2.432 1 1 737 . 8 1 1 A 81 81 ALA H H 81 8.140 8.322 -0.182 1 1 738 . 8 1 1 A 81 81 ALA HA H 81 4.170 4.577 -0.407 1 1 739 . 8 1 1 A 81 81 ALA C C 81 178.400 177.680 0.720 1 1 740 . 8 1 1 A 81 81 ALA CA C 81 52.800 50.882 1.918 1 1 741 . 8 1 1 A 81 81 ALA CB C 81 19.200 19.518 -0.318 1 1 742 . 8 1 1 A 81 81 ALA N N 81 123.600 123.230 0.370 1 1 743 . 8 1 1 A 82 82 GLY H H 82 8.400 8.856 -0.456 1 1 744 . 8 1 1 A 82 82 GLY HA2 H 82 3.860 3.887 -0.027 1 1 745 . 8 1 1 A 82 82 GLY HA3 H 82 2.880 3.888 -1.008 1 1 746 . 8 1 1 A 82 82 GLY C C 82 173.600 173.702 -0.102 1 1 747 . 8 1 1 A 82 82 GLY CA C 82 45.200 45.237 -0.037 1 1 748 . 8 1 1 A 82 82 GLY N N 82 108.000 114.349 -6.349 1 1 749 . 8 1 1 A 83 83 ALA H H 83 7.980 8.034 -0.054 1 1 750 . 8 1 1 A 83 83 ALA HA H 83 4.280 4.734 -0.454 1 1 754 . 8 1 1 A 83 83 ALA C C 83 177.200 176.951 0.249 1 1 755 . 8 1 1 A 83 83 ALA CA C 83 52.100 51.682 0.418 1 1 756 . 8 1 1 A 83 83 ALA CB C 83 19.500 20.029 -0.529 1 1 757 . 8 1 1 A 83 83 ALA N N 83 123.300 124.735 -1.435 1 1 758 . 8 1 1 A 84 84 ARG H H 84 8.240 8.503 -0.263 1 1 759 . 8 1 1 A 84 84 ARG HA H 84 4.610 4.841 -0.231 1 1 762 . 8 1 1 A 84 84 ARG CA C 84 54.000 52.120 1.880 1 1 763 . 8 1 1 A 84 84 ARG CB C 84 30.500 31.164 -0.664 1 1 764 . 8 1 1 A 84 84 ARG N N 84 121.700 122.253 -0.553 1 1 765 . 8 1 1 A 85 85 PRO HA H 85 4.390 4.360 0.030 1 1 770 . 8 1 1 A 85 85 PRO C C 85 177.000 177.349 -0.349 1 1 771 . 8 1 1 A 85 85 PRO CA C 85 62.900 65.384 -2.484 1 1 772 . 8 1 1 A 85 85 PRO CB C 85 32.200 31.670 0.530 1 1 773 . 8 1 1 A 86 86 ALA H H 86 8.600 8.209 0.391 1 1 774 . 8 1 1 A 86 86 ALA HA H 86 4.150 4.446 -0.296 1 1 778 . 8 1 1 A 86 86 ALA C C 86 177.800 177.406 0.394 1 1 779 . 8 1 1 A 86 86 ALA CA C 86 53.400 50.963 2.437 1 1 780 . 8 1 1 A 86 86 ALA CB C 86 18.900 17.487 1.413 1 1 781 . 8 1 1 A 86 86 ALA N N 86 124.900 119.015 5.885 1 1 782 . 8 1 1 A 87 87 ASN H H 87 8.380 7.786 0.594 1 1 783 . 8 1 1 A 87 87 ASN HA H 87 4.590 4.319 0.271 1 1 786 . 8 1 1 A 87 87 ASN C C 87 174.400 175.112 -0.712 1 1 787 . 8 1 1 A 87 87 ASN CA C 87 52.600 56.579 -3.979 1 1 788 . 8 1 1 A 87 87 ASN CB C 87 38.300 39.235 -0.935 1 1 789 . 8 1 1 A 87 87 ASN N N 87 114.900 121.180 -6.280 1 1 790 . 8 1 1 A 88 88 ALA H H 88 7.800 7.790 0.010 1 1 791 . 8 1 1 A 88 88 ALA HA H 88 4.400 4.655 -0.255 1 1 795 . 8 1 1 A 88 88 ALA CA C 88 50.400 50.063 0.337 1 1 796 . 8 1 1 A 88 88 ALA CB C 88 17.900 20.991 -3.091 1 1 797 . 8 1 1 A 88 88 ALA N N 88 123.600 119.524 4.076 1 1 798 . 8 1 1 A 89 89 PRO HA H 89 4.390 4.453 -0.063 1 1 805 . 8 1 1 A 89 89 PRO C C 89 175.000 177.862 -2.862 1 1 806 . 8 1 1 A 89 89 PRO CA C 89 62.400 63.432 -1.032 1 1 807 . 8 1 1 A 89 89 PRO CB C 89 31.700 32.194 -0.494 1 1 810 . 8 1 1 A 90 90 GLU H H 90 9.000 9.031 -0.031 1 1 811 . 8 1 1 A 90 90 GLU HA H 90 4.310 4.180 0.130 1 1 814 . 8 1 1 A 90 90 GLU C C 90 177.300 176.397 0.903 1 1 815 . 8 1 1 A 90 90 GLU CA C 90 58.000 59.377 -1.377 1 1 816 . 8 1 1 A 90 90 GLU CB C 90 31.400 31.157 0.243 1 1 817 . 8 1 1 A 90 90 GLU N N 90 117.700 121.892 -4.192 1 1 818 . 8 1 1 A 91 91 VAL H H 91 7.310 7.449 -0.139 1 1 819 . 8 1 1 A 91 91 VAL HA H 91 4.570 4.896 -0.326 1 1 827 . 8 1 1 A 91 91 VAL C C 91 171.000 173.365 -2.365 1 1 828 . 8 1 1 A 91 91 VAL CA C 91 59.700 59.985 -0.285 1 1 829 . 8 1 1 A 91 91 VAL CB C 91 35.600 35.437 0.163 1 1 832 . 8 1 1 A 91 91 VAL N N 91 115.900 116.930 -1.030 1 1 833 . 8 1 1 A 92 92 LEU H H 92 8.700 9.385 -0.685 1 1 834 . 8 1 1 A 92 92 LEU HA H 92 4.950 5.417 -0.467 1 1 844 . 8 1 1 A 92 92 LEU C C 92 174.300 174.305 -0.005 1 1 845 . 8 1 1 A 92 92 LEU CA C 92 52.700 53.312 -0.612 1 1 846 . 8 1 1 A 92 92 LEU CB C 92 44.100 45.439 -1.339 1 1 850 . 8 1 1 A 92 92 LEU N N 92 128.500 129.656 -1.156 1 1 851 . 8 1 1 A 93 93 LEU H H 93 8.770 9.592 -0.822 1 1 852 . 8 1 1 A 93 93 LEU HA H 93 4.910 5.123 -0.213 1 1 862 . 8 1 1 A 93 93 LEU C C 93 174.900 175.269 -0.369 1 1 863 . 8 1 1 A 93 93 LEU CA C 93 52.600 53.851 -1.251 1 1 864 . 8 1 1 A 93 93 LEU CB C 93 44.300 42.932 1.368 1 1 868 . 8 1 1 A 93 93 LEU N N 93 127.300 128.670 -1.370 1 1 869 . 8 1 1 A 94 94 VAL H H 94 8.800 9.384 -0.584 1 1 870 . 8 1 1 A 94 94 VAL HA H 94 4.880 4.580 0.300 1 1 878 . 8 1 1 A 94 94 VAL C C 94 175.000 175.416 -0.416 1 1 879 . 8 1 1 A 94 94 VAL CA C 94 60.000 60.985 -0.985 1 1 880 . 8 1 1 A 94 94 VAL CB C 94 33.900 32.806 1.094 1 1 883 . 8 1 1 A 94 94 VAL N N 94 122.000 126.141 -4.141 1 1 884 . 8 1 1 A 95 95 GLY H H 95 9.730 9.371 0.359 1 1 885 . 8 1 1 A 95 95 GLY HA2 H 95 3.240 4.050 -0.810 1 1 886 . 8 1 1 A 95 95 GLY HA3 H 95 4.940 4.059 0.881 1 1 887 . 8 1 1 A 95 95 GLY C C 95 175.000 175.291 -0.291 1 1 888 . 8 1 1 A 95 95 GLY CA C 95 45.500 45.456 0.044 1 1 889 . 8 1 1 A 95 95 GLY N N 95 114.000 115.664 -1.664 1 1 890 . 8 1 1 A 96 96 THR H H 96 9.320 9.104 0.216 1 1 891 . 8 1 1 A 96 96 THR HA H 96 4.210 4.123 0.087 1 1 896 . 8 1 1 A 96 96 THR C C 96 173.000 175.787 -2.787 1 1 897 . 8 1 1 A 96 96 THR CA C 96 61.800 63.812 -2.012 1 1 898 . 8 1 1 A 96 96 THR CB C 96 67.600 69.669 -2.069 1 1 900 . 8 1 1 A 96 96 THR N N 96 113.800 118.250 -4.450 1 1 901 . 8 1 1 A 97 97 GLY H H 97 8.600 7.945 0.655 1 1 902 . 8 1 1 A 97 97 GLY HA2 H 97 3.580 3.894 -0.314 1 1 903 . 8 1 1 A 97 97 GLY HA3 H 97 4.500 3.908 0.592 1 1 904 . 8 1 1 A 97 97 GLY C C 97 174.800 175.505 -0.705 1 1 905 . 8 1 1 A 97 97 GLY CA C 97 44.000 47.318 -3.318 1 1 906 . 8 1 1 A 97 97 GLY N N 97 110.900 110.664 0.236 1 1 907 . 8 1 1 A 98 98 ARG H H 98 9.400 8.764 0.636 1 1 908 . 8 1 1 A 98 98 ARG HA H 98 4.110 4.209 -0.099 1 1 911 . 8 1 1 A 98 98 ARG C C 98 175.700 176.237 -0.537 1 1 912 . 8 1 1 A 98 98 ARG CA C 98 58.800 58.079 0.721 1 1 913 . 8 1 1 A 98 98 ARG CB C 98 30.700 30.764 -0.064 1 1 914 . 8 1 1 A 98 98 ARG N N 98 125.500 125.574 -0.074 1 1 915 . 8 1 1 A 99 99 ARG H H 99 8.180 7.628 0.552 1 1 916 . 8 1 1 A 99 99 ARG HA H 99 4.640 4.632 0.008 1 1 919 . 8 1 1 A 99 99 ARG C C 99 175.000 174.006 0.994 1 1 920 . 8 1 1 A 99 99 ARG CA C 99 53.100 55.847 -2.747 1 1 921 . 8 1 1 A 99 99 ARG CB C 99 33.200 33.914 -0.714 1 1 922 . 8 1 1 A 99 99 ARG N N 99 114.300 118.225 -3.925 1 1 923 . 8 1 1 A 100 100 GLN H H 100 8.710 8.466 0.244 1 1 924 . 8 1 1 A 100 100 GLN HA H 100 3.620 4.543 -0.923 1 1 929 . 8 1 1 A 100 100 GLN C C 100 173.900 174.650 -0.750 1 1 930 . 8 1 1 A 100 100 GLN CA C 100 56.400 55.745 0.655 1 1 931 . 8 1 1 A 100 100 GLN CB C 100 29.600 29.200 0.400 1 1 933 . 8 1 1 A 100 100 GLN N N 100 121.700 124.415 -2.715 1 1 934 . 8 1 1 A 101 101 HIS H H 101 7.900 8.946 -1.046 1 1 935 . 8 1 1 A 101 101 HIS HA H 101 4.530 5.336 -0.806 1 1 939 . 8 1 1 A 101 101 HIS C C 101 173.100 174.202 -1.102 1 1 940 . 8 1 1 A 101 101 HIS CA C 101 55.100 53.851 1.249 1 1 941 . 8 1 1 A 101 101 HIS CB C 101 32.100 32.072 0.028 1 1 942 . 8 1 1 A 101 101 HIS N N 101 130.600 125.010 5.590 1 1 943 . 8 1 1 A 102 102 LEU H H 102 8.080 8.551 -0.471 1 1 944 . 8 1 1 A 102 102 LEU HA H 102 4.060 4.314 -0.254 1 1 948 . 8 1 1 A 102 102 LEU C C 102 177.200 177.006 0.194 1 1 949 . 8 1 1 A 102 102 LEU CA C 102 54.900 54.848 0.052 1 1 950 . 8 1 1 A 102 102 LEU CB C 102 41.600 41.889 -0.289 1 1 951 . 8 1 1 A 102 102 LEU N N 102 121.400 128.272 -6.872 1 1 952 . 8 1 1 A 103 103 LEU H H 103 8.260 8.510 -0.250 1 1 953 . 8 1 1 A 103 103 LEU HA H 103 4.490 4.338 0.152 1 1 963 . 8 1 1 A 103 103 LEU C C 103 177.100 177.358 -0.258 1 1 964 . 8 1 1 A 103 103 LEU CA C 103 53.400 54.804 -1.404 1 1 965 . 8 1 1 A 103 103 LEU CB C 103 42.600 42.548 0.052 1 1 969 . 8 1 1 A 103 103 LEU N N 103 123.000 124.727 -1.727 1 1 970 . 8 1 1 A 104 104 GLY H H 104 8.820 8.702 0.118 1 1 971 . 8 1 1 A 104 104 GLY HA2 H 104 3.930 4.173 -0.243 1 1 972 . 8 1 1 A 104 104 GLY HA3 H 104 4.440 4.193 0.247 1 1 973 . 8 1 1 A 104 104 GLY CA C 104 44.500 43.673 0.827 1 1 974 . 8 1 1 A 104 104 GLY N N 104 110.200 108.953 1.247 1 1 975 . 8 1 1 A 105 105 PRO HA H 105 4.230 4.201 0.029 1 1 978 . 8 1 1 A 105 105 PRO C C 105 178.900 177.780 1.120 1 1 979 . 8 1 1 A 105 105 PRO CA C 105 65.200 65.199 0.001 1 1 980 . 8 1 1 A 105 105 PRO CB C 105 31.900 31.753 0.147 1 1 981 . 8 1 1 A 106 106 GLU H H 106 9.150 8.401 0.749 1 1 982 . 8 1 1 A 106 106 GLU HA H 106 4.080 4.152 -0.072 1 1 987 . 8 1 1 A 106 106 GLU C C 106 178.500 177.761 0.739 1 1 988 . 8 1 1 A 106 106 GLU CA C 106 58.600 59.241 -0.641 1 1 989 . 8 1 1 A 106 106 GLU CB C 106 28.500 29.230 -0.730 1 1 991 . 8 1 1 A 106 106 GLU N N 106 115.400 117.800 -2.400 1 1 992 . 8 1 1 A 107 107 GLN H H 107 7.680 8.181 -0.501 1 1 993 . 8 1 1 A 107 107 GLN HA H 107 4.160 4.352 -0.192 1 1 998 . 8 1 1 A 107 107 GLN C C 107 175.200 177.246 -2.046 1 1 999 . 8 1 1 A 107 107 GLN CA C 107 58.500 57.057 1.443 1 1 1000 . 8 1 1 A 107 107 GLN CB C 107 29.400 29.468 -0.068 1 1 1002 . 8 1 1 A 107 107 GLN N N 107 116.100 117.022 -0.922 1 1 1003 . 8 1 1 A 108 108 VAL H H 108 7.080 7.244 -0.164 1 1 1004 . 8 1 1 A 108 108 VAL HA H 108 4.270 4.317 -0.047 1 1 1012 . 8 1 1 A 108 108 VAL C C 108 177.500 177.615 -0.115 1 1 1013 . 8 1 1 A 108 108 VAL CA C 108 62.000 61.928 0.072 1 1 1014 . 8 1 1 A 108 108 VAL CB C 108 33.000 32.517 0.483 1 1 1017 . 8 1 1 A 108 108 VAL N N 108 104.800 112.623 -7.823 1 1 1018 . 8 1 1 A 109 109 ARG H H 109 8.220 7.823 0.397 1 1 1019 . 8 1 1 A 109 109 ARG HA H 109 4.060 4.115 -0.055 1 1 1024 . 8 1 1 A 109 109 ARG CA C 109 61.700 61.211 0.489 1 1 1025 . 8 1 1 A 109 109 ARG CB C 109 27.600 27.984 -0.384 1 1 1027 . 8 1 1 A 109 109 ARG N N 109 123.100 122.529 0.571 1 1 1028 . 8 1 1 A 110 110 PRO HA H 110 4.290 4.401 -0.111 1 1 1035 . 8 1 1 A 110 110 PRO C C 110 173.000 178.745 -5.745 1 1 1036 . 8 1 1 A 110 110 PRO CA C 110 65.800 65.287 0.513 1 1 1037 . 8 1 1 A 110 110 PRO CB C 110 31.400 30.936 0.464 1 1 1040 . 8 1 1 A 111 111 LEU H H 111 7.080 7.613 -0.533 1 1 1041 . 8 1 1 A 111 111 LEU HA H 111 4.050 4.067 -0.017 1 1 1051 . 8 1 1 A 111 111 LEU C C 111 178.800 178.902 -0.102 1 1 1052 . 8 1 1 A 111 111 LEU CA C 111 57.400 57.464 -0.064 1 1 1053 . 8 1 1 A 111 111 LEU CB C 111 40.100 41.353 -1.253 1 1 1056 . 8 1 1 A 111 111 LEU N N 111 117.700 117.323 0.377 1 1 1057 . 8 1 1 A 112 112 LEU H H 112 7.950 8.404 -0.454 1 1 1058 . 8 1 1 A 112 112 LEU HA H 112 4.050 3.983 0.067 1 1 1068 . 8 1 1 A 112 112 LEU C C 112 169.000 179.416 -10.416 1 1 1069 . 8 1 1 A 112 112 LEU CA C 112 58.000 57.949 0.051 1 1 1070 . 8 1 1 A 112 112 LEU CB C 112 41.100 40.883 0.217 1 1 1074 . 8 1 1 A 112 112 LEU N N 112 121.700 119.777 1.923 1 1 1075 . 8 1 1 A 113 113 ALA H H 113 8.230 7.844 0.386 1 1 1076 . 8 1 1 A 113 113 ALA HA H 113 4.110 4.115 -0.005 1 1 1080 . 8 1 1 A 113 113 ALA C C 113 178.700 178.813 -0.113 1 1 1081 . 8 1 1 A 113 113 ALA CA C 113 54.400 54.510 -0.110 1 1 1082 . 8 1 1 A 113 113 ALA CB C 113 18.100 18.295 -0.195 1 1 1083 . 8 1 1 A 113 113 ALA N N 113 120.900 122.676 -1.776 1 1 1084 . 8 1 1 A 114 114 MET H H 114 7.270 7.535 -0.265 1 1 1085 . 8 1 1 A 114 114 MET HA H 114 4.490 4.475 0.015 1 1 1093 . 8 1 1 A 114 114 MET C C 114 175.100 176.331 -1.231 1 1 1094 . 8 1 1 A 114 114 MET CA C 114 55.100 56.141 -1.041 1 1 1095 . 8 1 1 A 114 114 MET CB C 114 33.700 33.143 0.557 1 1 1098 . 8 1 1 A 114 114 MET N N 114 115.100 115.217 -0.117 1 1 1099 . 8 1 1 A 115 115 GLY H H 115 7.830 8.127 -0.297 1 1 1100 . 8 1 1 A 115 115 GLY HA2 H 115 3.660 4.063 -0.403 1 1 1101 . 8 1 1 A 115 115 GLY HA3 H 115 4.060 4.063 -0.003 1 1 1102 . 8 1 1 A 115 115 GLY C C 115 173.700 174.249 -0.549 1 1 1103 . 8 1 1 A 115 115 GLY CA C 115 45.600 44.936 0.664 1 1 1104 . 8 1 1 A 115 115 GLY N N 115 106.300 105.971 0.329 1 1 1105 . 8 1 1 A 116 116 VAL H H 116 7.710 8.102 -0.392 1 1 1106 . 8 1 1 A 116 116 VAL HA H 116 3.820 4.347 -0.527 1 1 1114 . 8 1 1 A 116 116 VAL C C 116 174.800 175.406 -0.606 1 1 1115 . 8 1 1 A 116 116 VAL CA C 116 61.200 62.441 -1.241 1 1 1116 . 8 1 1 A 116 116 VAL CB C 116 32.800 31.917 0.883 1 1 1119 . 8 1 1 A 116 116 VAL N N 116 123.600 122.077 1.523 1 1 1120 . 8 1 1 A 117 117 GLY H H 117 7.730 9.160 -1.430 1 1 1121 . 8 1 1 A 117 117 GLY HA2 H 117 3.570 3.991 -0.421 1 1 1122 . 8 1 1 A 117 117 GLY HA3 H 117 4.040 3.993 0.047 1 1 1123 . 8 1 1 A 117 117 GLY C C 117 172.600 173.200 -0.600 1 1 1124 . 8 1 1 A 117 117 GLY CA C 117 45.500 45.398 0.102 1 1 1125 . 8 1 1 A 117 117 GLY N N 117 111.400 114.985 -3.585 1 1 1126 . 8 1 1 A 118 118 VAL H H 118 7.740 8.939 -1.199 1 1 1127 . 8 1 1 A 118 118 VAL HA H 118 5.100 4.647 0.453 1 1 1135 . 8 1 1 A 118 118 VAL C C 118 175.500 175.443 0.057 1 1 1136 . 8 1 1 A 118 118 VAL CA C 118 61.000 62.207 -1.207 1 1 1137 . 8 1 1 A 118 118 VAL CB C 118 34.300 32.240 2.060 1 1 1140 . 8 1 1 A 118 118 VAL N N 118 120.900 126.760 -5.860 1 1 1141 . 8 1 1 A 119 119 GLU H H 119 8.490 9.446 -0.956 1 1 1142 . 8 1 1 A 119 119 GLU HA H 119 4.630 5.105 -0.475 1 1 1147 . 8 1 1 A 119 119 GLU C C 119 173.500 174.934 -1.434 1 1 1148 . 8 1 1 A 119 119 GLU CA C 119 54.600 54.817 -0.217 1 1 1149 . 8 1 1 A 119 119 GLU CB C 119 32.300 33.448 -1.148 1 1 1151 . 8 1 1 A 119 119 GLU N N 119 127.000 126.473 0.527 1 1 1152 . 8 1 1 A 120 120 ALA H H 120 8.600 8.977 -0.377 1 1 1153 . 8 1 1 A 120 120 ALA HA H 120 5.530 5.530 0.000 1 1 1157 . 8 1 1 A 120 120 ALA C C 120 177.100 176.155 0.945 1 1 1158 . 8 1 1 A 120 120 ALA CA C 120 50.300 50.590 -0.290 1 1 1159 . 8 1 1 A 120 120 ALA CB C 120 20.800 21.169 -0.369 1 1 1160 . 8 1 1 A 120 120 ALA N N 120 126.500 123.234 3.266 1 1 1161 . 8 1 1 A 121 121 MET H H 121 9.430 9.016 0.414 1 1 1162 . 8 1 1 A 121 121 MET HA H 121 4.630 4.933 -0.303 1 1 1170 . 8 1 1 A 121 121 MET C C 121 173.300 175.078 -1.778 1 1 1171 . 8 1 1 A 121 121 MET CA C 121 54.600 54.203 0.397 1 1 1172 . 8 1 1 A 121 121 MET CB C 121 36.800 37.374 -0.574 1 1 1175 . 8 1 1 A 121 121 MET N N 121 120.400 120.446 -0.046 1 1 1176 . 8 1 1 A 122 122 ASP H H 122 8.460 8.775 -0.315 1 1 1177 . 8 1 1 A 122 122 ASP HA H 122 4.170 4.868 -0.698 1 1 1180 . 8 1 1 A 122 122 ASP C C 122 175.200 177.796 -2.596 1 1 1181 . 8 1 1 A 122 122 ASP CA C 122 55.000 54.342 0.658 1 1 1182 . 8 1 1 A 122 122 ASP CB C 122 41.000 41.732 -0.732 1 1 1183 . 8 1 1 A 122 122 ASP N N 122 116.700 120.527 -3.827 1 1 1184 . 8 1 1 A 123 123 THR H H 123 9.580 8.795 0.785 1 1 1185 . 8 1 1 A 123 123 THR HA H 123 3.670 3.831 -0.161 1 1 1191 . 8 1 1 A 123 123 THR C C 123 174.400 175.981 -1.581 1 1 1192 . 8 1 1 A 123 123 THR CA C 123 68.700 66.710 1.990 1 1 1193 . 8 1 1 A 123 123 THR CB C 123 68.800 69.000 -0.200 1 1 1195 . 8 1 1 A 123 123 THR N N 123 119.600 116.944 2.656 1 1 1196 . 8 1 1 A 124 124 GLN H H 124 8.580 7.902 0.678 1 1 1197 . 8 1 1 A 124 124 GLN HA H 124 3.240 3.825 -0.585 1 1 1202 . 8 1 1 A 124 124 GLN C C 124 177.700 178.234 -0.534 1 1 1203 . 8 1 1 A 124 124 GLN CA C 124 60.100 58.599 1.501 1 1 1204 . 8 1 1 A 124 124 GLN CB C 124 27.400 28.187 -0.787 1 1 1206 . 8 1 1 A 124 124 GLN N N 124 121.500 118.556 2.944 1 1 1207 . 8 1 1 A 125 125 ALA H H 125 8.210 8.076 0.134 1 1 1208 . 8 1 1 A 125 125 ALA HA H 125 3.960 4.136 -0.176 1 1 1212 . 8 1 1 A 125 125 ALA C C 125 167.800 180.051 -12.251 1 1 1213 . 8 1 1 A 125 125 ALA CA C 125 54.800 55.048 -0.248 1 1 1214 . 8 1 1 A 125 125 ALA CB C 125 18.700 17.934 0.766 1 1 1215 . 8 1 1 A 125 125 ALA N N 125 122.600 122.762 -0.162 1 1 1216 . 8 1 1 A 126 126 ALA H H 126 8.900 8.296 0.604 1 1 1217 . 8 1 1 A 126 126 ALA HA H 126 4.110 3.970 0.140 1 1 1221 . 8 1 1 A 126 126 ALA C C 126 178.500 179.032 -0.532 1 1 1222 . 8 1 1 A 126 126 ALA CA C 126 55.300 55.340 -0.040 1 1 1223 . 8 1 1 A 126 126 ALA CB C 126 18.100 19.223 -1.123 1 1 1224 . 8 1 1 A 126 126 ALA N N 126 124.600 119.811 4.789 1 1 1225 . 8 1 1 A 127 127 ALA H H 127 8.440 8.206 0.234 1 1 1226 . 8 1 1 A 127 127 ALA HA H 127 3.850 4.103 -0.253 1 1 1230 . 8 1 1 A 127 127 ALA C C 127 178.400 179.705 -1.305 1 1 1231 . 8 1 1 A 127 127 ALA CA C 127 55.500 55.251 0.249 1 1 1232 . 8 1 1 A 127 127 ALA CB C 127 18.500 17.837 0.663 1 1 1233 . 8 1 1 A 127 127 ALA N N 127 120.200 119.761 0.439 1 1 1234 . 8 1 1 A 128 128 ARG H H 128 7.790 8.092 -0.302 1 1 1235 . 8 1 1 A 128 128 ARG HA H 128 4.020 4.178 -0.158 1 1 1240 . 8 1 1 A 128 128 ARG C C 128 179.400 179.066 0.334 1 1 1241 . 8 1 1 A 128 128 ARG CA C 128 59.600 59.087 0.513 1 1 1242 . 8 1 1 A 128 128 ARG CB C 128 30.800 30.035 0.765 1 1 1244 . 8 1 1 A 128 128 ARG N N 128 115.900 119.575 -3.675 1 1 1245 . 8 1 1 A 129 129 THR H H 129 8.440 8.011 0.429 1 1 1246 . 8 1 1 A 129 129 THR HA H 129 3.770 3.953 -0.183 1 1 1251 . 8 1 1 A 129 129 THR C C 129 175.300 175.876 -0.576 1 1 1252 . 8 1 1 A 129 129 THR CA C 129 67.300 66.194 1.106 1 1 1253 . 8 1 1 A 129 129 THR CB C 129 68.300 68.294 0.006 1 1 1255 . 8 1 1 A 129 129 THR N N 129 116.400 115.348 1.052 1 1 1256 . 8 1 1 A 130 130 TYR H H 130 8.790 8.389 0.401 1 1 1257 . 8 1 1 A 130 130 TYR HA H 130 3.600 4.155 -0.555 1 1 1262 . 8 1 1 A 130 130 TYR C C 130 175.500 177.361 -1.861 1 1 1263 . 8 1 1 A 130 130 TYR CA C 130 62.600 62.071 0.529 1 1 1264 . 8 1 1 A 130 130 TYR CB C 130 37.500 38.715 -1.215 1 1 1265 . 8 1 1 A 130 130 TYR N N 130 123.500 122.757 0.743 1 1 1266 . 8 1 1 A 131 131 ASN H H 131 7.800 8.299 -0.499 1 1 1267 . 8 1 1 A 131 131 ASN HA H 131 4.220 4.298 -0.078 1 1 1270 . 8 1 1 A 131 131 ASN C C 131 179.200 177.923 1.277 1 1 1271 . 8 1 1 A 131 131 ASN CA C 131 55.500 56.533 -1.033 1 1 1272 . 8 1 1 A 131 131 ASN CB C 131 37.100 38.851 -1.751 1 1 1273 . 8 1 1 A 131 131 ASN N N 131 117.700 117.428 0.272 1 1 1274 . 8 1 1 A 132 132 ILE H H 132 7.520 7.922 -0.402 1 1 1275 . 8 1 1 A 132 132 ILE HA H 132 3.710 3.586 0.124 1 1 1285 . 8 1 1 A 132 132 ILE C C 132 178.100 178.107 -0.007 1 1 1286 . 8 1 1 A 132 132 ILE CA C 132 64.900 65.704 -0.804 1 1 1287 . 8 1 1 A 132 132 ILE CB C 132 38.500 38.083 0.417 1 1 1291 . 8 1 1 A 132 132 ILE N N 132 121.000 119.483 1.517 1 1 1292 . 8 1 1 A 133 133 LEU H H 133 8.420 8.490 -0.070 1 1 1293 . 8 1 1 A 133 133 LEU HA H 133 3.910 3.983 -0.073 1 1 1303 . 8 1 1 A 133 133 LEU C C 133 179.600 179.423 0.177 1 1 1304 . 8 1 1 A 133 133 LEU CA C 133 57.900 57.708 0.192 1 1 1305 . 8 1 1 A 133 133 LEU CB C 133 41.700 40.971 0.729 1 1 1309 . 8 1 1 A 133 133 LEU N N 133 120.500 118.445 2.055 1 1 1310 . 8 1 1 A 134 134 MET H H 134 8.990 8.042 0.948 1 1 1311 . 8 1 1 A 134 134 MET HA H 134 3.870 4.074 -0.204 1 1 1319 . 8 1 1 A 134 134 MET C C 134 167.400 177.847 -10.447 1 1 1320 . 8 1 1 A 134 134 MET CA C 134 58.400 58.240 0.160 1 1 1321 . 8 1 1 A 134 134 MET CB C 134 30.700 32.501 -1.801 1 1 1324 . 8 1 1 A 134 134 MET N N 134 119.900 118.913 0.987 1 1 1325 . 8 1 1 A 135 135 ALA H H 135 7.490 8.205 -0.715 1 1 1326 . 8 1 1 A 135 135 ALA HA H 135 4.060 3.940 0.120 1 1 1330 . 8 1 1 A 135 135 ALA C C 135 179.100 180.375 -1.275 1 1 1331 . 8 1 1 A 135 135 ALA CA C 135 54.700 54.880 -0.180 1 1 1332 . 8 1 1 A 135 135 ALA CB C 135 18.000 18.090 -0.090 1 1 1333 . 8 1 1 A 135 135 ALA N N 135 124.600 121.383 3.217 1 1 1334 . 8 1 1 A 136 136 GLU H H 136 7.540 7.694 -0.154 1 1 1335 . 8 1 1 A 136 136 GLU HA H 136 4.230 4.378 -0.148 1 1 1340 . 8 1 1 A 136 136 GLU C C 136 176.900 176.725 0.175 1 1 1341 . 8 1 1 A 136 136 GLU CA C 136 56.400 57.142 -0.742 1 1 1342 . 8 1 1 A 136 136 GLU CB C 136 30.300 30.277 0.023 1 1 1344 . 8 1 1 A 136 136 GLU N N 136 116.500 117.237 -0.737 1 1 1345 . 8 1 1 A 137 137 GLY H H 137 7.870 8.071 -0.201 1 1 1346 . 8 1 1 A 137 137 GLY HA2 H 137 3.760 3.903 -0.143 1 1 1347 . 8 1 1 A 137 137 GLY HA3 H 137 4.140 3.909 0.231 1 1 1348 . 8 1 1 A 137 137 GLY C C 137 175.100 174.331 0.769 1 1 1349 . 8 1 1 A 137 137 GLY CA C 137 45.600 46.324 -0.724 1 1 1350 . 8 1 1 A 137 137 GLY N N 137 107.100 108.906 -1.806 1 1 1351 . 8 1 1 A 138 138 ARG H H 138 7.580 7.781 -0.201 1 1 1352 . 8 1 1 A 138 138 ARG HA H 138 4.270 4.623 -0.353 1 1 1357 . 8 1 1 A 138 138 ARG C C 138 176.900 175.303 1.597 1 1 1358 . 8 1 1 A 138 138 ARG CA C 138 54.500 54.480 0.020 1 1 1359 . 8 1 1 A 138 138 ARG CB C 138 30.100 32.568 -2.468 1 1 1361 . 8 1 1 A 138 138 ARG N N 138 118.100 120.807 -2.707 1 1 1362 . 8 1 1 A 139 139 ARG H H 139 9.240 8.168 1.072 1 1 1363 . 8 1 1 A 139 139 ARG HA H 139 4.470 4.542 -0.072 1 1 1370 . 8 1 1 A 139 139 ARG C C 139 174.400 175.031 -0.631 1 1 1371 . 8 1 1 A 139 139 ARG CA C 139 55.700 55.907 -0.207 1 1 1372 . 8 1 1 A 139 139 ARG CB C 139 28.000 29.793 -1.793 1 1 1375 . 8 1 1 A 139 139 ARG N N 139 124.400 124.693 -0.293 1 1 1376 . 8 1 1 A 140 140 VAL H H 140 7.250 8.282 -1.032 1 1 1377 . 8 1 1 A 140 140 VAL HA H 140 5.180 5.338 -0.158 1 1 1385 . 8 1 1 A 140 140 VAL C C 140 172.800 173.762 -0.962 1 1 1386 . 8 1 1 A 140 140 VAL CA C 140 57.700 59.861 -2.161 1 1 1387 . 8 1 1 A 140 140 VAL CB C 140 34.700 34.929 -0.229 1 1 1390 . 8 1 1 A 140 140 VAL N N 140 121.900 124.370 -2.470 1 1 1391 . 8 1 1 A 141 141 VAL H H 141 8.180 8.895 -0.715 1 1 1392 . 8 1 1 A 141 141 VAL HA H 141 4.510 5.012 -0.502 1 1 1400 . 8 1 1 A 141 141 VAL C C 141 172.600 174.006 -1.406 1 1 1401 . 8 1 1 A 141 141 VAL CA C 141 60.300 60.760 -0.460 1 1 1402 . 8 1 1 A 141 141 VAL CB C 141 35.600 34.849 0.751 1 1 1405 . 8 1 1 A 141 141 VAL N N 141 123.900 127.550 -3.650 1 1 1406 . 8 1 1 A 142 142 VAL H H 142 8.430 8.399 0.031 1 1 1407 . 8 1 1 A 142 142 VAL HA H 142 5.220 4.890 0.330 1 1 1415 . 8 1 1 A 142 142 VAL C C 142 170.000 172.777 -2.777 1 1 1416 . 8 1 1 A 142 142 VAL CA C 142 57.600 58.919 -1.319 1 1 1417 . 8 1 1 A 142 142 VAL CB C 142 35.500 34.148 1.352 1 1 1420 . 8 1 1 A 142 142 VAL N N 142 124.600 127.064 -2.464 1 1 1421 . 8 1 1 A 143 143 ALA H H 143 8.220 8.930 -0.710 1 1 1422 . 8 1 1 A 143 143 ALA HA H 143 4.680 5.060 -0.380 1 1 1426 . 8 1 1 A 143 143 ALA C C 143 175.400 175.308 0.092 1 1 1427 . 8 1 1 A 143 143 ALA CA C 143 49.900 50.206 -0.306 1 1 1428 . 8 1 1 A 143 143 ALA CB C 143 19.600 20.011 -0.411 1 1 1429 . 8 1 1 A 143 143 ALA N N 143 129.100 130.063 -0.963 1 1 1430 . 8 1 1 A 144 144 LEU H H 144 9.070 9.055 0.015 1 1 1431 . 8 1 1 A 144 144 LEU HA H 144 4.840 5.112 -0.272 1 1 1441 . 8 1 1 A 144 144 LEU CA C 144 53.400 53.430 -0.030 1 1 1442 . 8 1 1 A 144 144 LEU CB C 144 46.500 43.190 3.310 1 1 1445 . 8 1 1 A 144 144 LEU N N 144 119.600 123.874 -4.274 1 1 1446 . 8 1 1 A 145 145 LEU HA H 145 4.830 4.995 -0.165 1 1 1456 . 8 1 1 A 145 145 LEU CA C 145 51.800 51.170 0.630 1 1 1457 . 8 1 1 A 145 145 LEU CB C 145 41.700 42.639 -0.939 1 1 1461 . 8 1 1 A 146 146 PRO HA H 146 4.330 4.749 -0.419 1 1 1466 . 8 1 1 A 146 146 PRO C C 146 175.700 175.284 0.416 1 1 1467 . 8 1 1 A 146 146 PRO CA C 146 62.800 62.062 0.738 1 1 1468 . 8 1 1 A 146 146 PRO CB C 146 31.500 33.106 -1.606 1 1 1470 . 8 1 1 A 147 147 ASP H H 147 8.660 8.583 0.077 1 1 1471 . 8 1 1 A 147 147 ASP HA H 147 4.510 5.408 -0.898 1 1 1474 . 8 1 1 A 147 147 ASP C C 147 176.300 175.169 1.131 1 1 1475 . 8 1 1 A 147 147 ASP CA C 147 54.300 52.718 1.582 1 1 1476 . 8 1 1 A 147 147 ASP CB C 147 42.100 44.301 -2.201 1 1 1477 . 8 1 1 A 147 147 ASP N N 147 120.700 119.637 1.063 1 1 1478 . 8 1 1 A 148 148 GLY H H 148 8.310 8.336 -0.026 1 1 1479 . 8 1 1 A 148 148 GLY HA2 H 148 4.020 4.033 -0.013 1 1 1480 . 8 1 1 A 148 148 GLY HA3 H 148 4.050 4.037 0.013 1 1 1481 . 8 1 1 A 148 148 GLY C C 148 173.600 175.681 -2.081 1 1 1482 . 8 1 1 A 148 148 GLY CA C 148 45.200 45.541 -0.341 1 1 1483 . 8 1 1 A 148 148 GLY N N 148 109.400 108.859 0.541 1 1 1484 . 8 1 1 A 149 149 ASP H H 149 8.550 8.361 0.189 1 1 1485 . 8 1 1 A 149 149 ASP HA H 149 4.650 4.316 0.334 1 1 1488 . 8 1 1 A 149 149 ASP C C 149 176.700 178.767 -2.067 1 1 1489 . 8 1 1 A 149 149 ASP CA C 149 54.500 56.468 -1.968 1 1 1490 . 8 1 1 A 149 149 ASP CB C 149 41.600 40.411 1.189 1 1 1491 . 8 1 1 A 149 149 ASP N N 149 120.800 122.083 -1.283 1 1 1492 . 8 1 1 A 150 150 SER H H 150 8.600 7.360 1.240 1 1 1493 . 8 1 1 A 150 150 SER HA H 150 4.350 4.280 0.070 1 1 1496 . 8 1 1 A 150 150 SER C C 150 175.000 174.667 0.333 1 1 1497 . 8 1 1 A 150 150 SER CA C 150 58.900 61.267 -2.367 1 1 1498 . 8 1 1 A 150 150 SER CB C 150 63.500 62.740 0.760 1 1 1499 . 8 1 1 A 150 150 SER N N 150 116.400 113.310 3.090 1 1 1500 . 8 1 1 A 151 151 LEU H H 151 8.290 8.068 0.222 1 1 1501 . 8 1 1 A 151 151 LEU CA C 151 55.500 54.081 1.419 1 1 1502 . 8 1 1 A 151 151 LEU CB C 151 41.900 40.549 1.351 1 1 5 . 9 1 1 A 4 4 HIS C C 4 174.800 174.643 0.157 1 1 6 . 9 1 1 A 4 4 HIS CA C 4 55.900 59.054 -3.154 1 1 7 . 9 1 1 A 4 4 HIS CB C 4 30.000 30.120 -0.120 1 1 8 . 9 1 1 A 5 5 THR H H 5 7.990 7.708 0.282 1 1 9 . 9 1 1 A 5 5 THR C C 5 173.800 173.407 0.393 1 1 10 . 9 1 1 A 5 5 THR CA C 5 61.500 59.570 1.930 1 1 11 . 9 1 1 A 5 5 THR CB C 5 69.900 71.387 -1.487 1 1 12 . 9 1 1 A 5 5 THR N N 5 115.300 109.036 6.264 1 1 13 . 9 1 1 A 6 6 ASP H H 6 8.370 8.679 -0.309 1 1 14 . 9 1 1 A 6 6 ASP HA H 6 4.860 5.308 -0.448 1 1 17 . 9 1 1 A 6 6 ASP CA C 6 52.500 50.564 1.936 1 1 18 . 9 1 1 A 6 6 ASP CB C 6 41.100 41.918 -0.818 1 1 19 . 9 1 1 A 6 6 ASP N N 6 124.400 122.252 2.148 1 1 20 . 9 1 1 A 7 7 PRO HA H 7 4.350 4.401 -0.051 1 1 26 . 9 1 1 A 7 7 PRO C C 7 176.900 176.939 -0.039 1 1 27 . 9 1 1 A 7 7 PRO CA C 7 63.500 65.687 -2.187 1 1 28 . 9 1 1 A 7 7 PRO CB C 7 32.100 31.678 0.422 1 1 31 . 9 1 1 A 8 8 ALA H H 8 8.420 8.024 0.396 1 1 32 . 9 1 1 A 8 8 ALA HA H 8 4.260 4.579 -0.319 1 1 36 . 9 1 1 A 8 8 ALA C C 8 178.100 177.938 0.162 1 1 37 . 9 1 1 A 8 8 ALA CA C 8 52.900 50.839 2.061 1 1 38 . 9 1 1 A 8 8 ALA CB C 8 19.200 19.559 -0.359 1 1 39 . 9 1 1 A 8 8 ALA N N 8 122.700 119.089 3.611 1 1 40 . 9 1 1 A 9 9 THR H H 9 7.880 8.569 -0.689 1 1 41 . 9 1 1 A 9 9 THR HA H 9 4.230 4.137 0.093 1 1 46 . 9 1 1 A 9 9 THR C C 9 173.800 174.740 -0.940 1 1 47 . 9 1 1 A 9 9 THR CA C 9 61.700 64.733 -3.033 1 1 48 . 9 1 1 A 9 9 THR CB C 9 69.700 69.018 0.682 1 1 50 . 9 1 1 A 9 9 THR N N 9 112.900 116.626 -3.726 1 1 51 . 9 1 1 A 10 10 ALA H H 10 8.160 7.725 0.435 1 1 52 . 9 1 1 A 10 10 ALA HA H 10 4.340 4.755 -0.415 1 1 56 . 9 1 1 A 10 10 ALA C C 10 177.000 174.776 2.224 1 1 57 . 9 1 1 A 10 10 ALA CA C 10 52.300 50.842 1.458 1 1 58 . 9 1 1 A 10 10 ALA CB C 10 19.400 23.055 -3.655 1 1 59 . 9 1 1 A 10 10 ALA N N 10 127.000 121.686 5.314 1 1 60 . 9 1 1 A 11 11 LEU H H 11 8.040 8.670 -0.630 1 1 61 . 9 1 1 A 11 11 LEU HA H 11 4.640 4.862 -0.222 1 1 70 . 9 1 1 A 11 11 LEU C C 11 178.300 175.056 3.244 1 1 71 . 9 1 1 A 11 11 LEU CA C 11 54.000 53.947 0.053 1 1 72 . 9 1 1 A 11 11 LEU CB C 11 42.900 44.655 -1.755 1 1 75 . 9 1 1 A 11 11 LEU N N 11 121.500 120.964 0.536 1 1 76 . 9 1 1 A 12 12 ASN H H 12 9.700 8.791 0.909 1 1 77 . 9 1 1 A 12 12 ASN HA H 12 4.760 5.254 -0.494 1 1 80 . 9 1 1 A 12 12 ASN C C 12 174.700 175.171 -0.471 1 1 81 . 9 1 1 A 12 12 ASN CA C 12 54.100 53.518 0.582 1 1 82 . 9 1 1 A 12 12 ASN CB C 12 38.100 38.806 -0.706 1 1 83 . 9 1 1 A 12 12 ASN N N 12 121.500 125.530 -4.030 1 1 84 . 9 1 1 A 13 13 THR H H 13 8.710 9.037 -0.327 1 1 85 . 9 1 1 A 13 13 THR HA H 13 4.760 5.049 -0.289 1 1 90 . 9 1 1 A 13 13 THR C C 13 173.600 173.169 0.431 1 1 91 . 9 1 1 A 13 13 THR CA C 13 61.900 61.678 0.222 1 1 92 . 9 1 1 A 13 13 THR CB C 13 71.500 71.873 -0.373 1 1 94 . 9 1 1 A 13 13 THR N N 13 121.800 118.585 3.215 1 1 95 . 9 1 1 A 14 14 VAL H H 14 9.500 9.194 0.306 1 1 96 . 9 1 1 A 14 14 VAL HA H 14 4.660 4.281 0.379 1 1 104 . 9 1 1 A 14 14 VAL C C 14 177.000 176.898 0.102 1 1 105 . 9 1 1 A 14 14 VAL CA C 14 63.800 63.593 0.207 1 1 106 . 9 1 1 A 14 14 VAL CB C 14 30.600 31.236 -0.636 1 1 109 . 9 1 1 A 14 14 VAL N N 14 126.700 126.923 -0.223 1 1 110 . 9 1 1 A 15 15 THR H H 15 8.900 9.120 -0.220 1 1 111 . 9 1 1 A 15 15 THR HA H 15 4.300 4.412 -0.112 1 1 116 . 9 1 1 A 15 15 THR C C 15 174.900 174.034 0.866 1 1 117 . 9 1 1 A 15 15 THR CA C 15 62.800 62.449 0.351 1 1 118 . 9 1 1 A 15 15 THR CB C 15 68.700 69.184 -0.484 1 1 120 . 9 1 1 A 15 15 THR N N 15 122.000 119.438 2.562 1 1 121 . 9 1 1 A 16 16 ALA H H 16 7.960 7.665 0.295 1 1 122 . 9 1 1 A 16 16 ALA HA H 16 4.360 4.524 -0.164 1 1 126 . 9 1 1 A 16 16 ALA C C 16 174.400 175.931 -1.531 1 1 127 . 9 1 1 A 16 16 ALA CA C 16 52.600 50.859 1.741 1 1 128 . 9 1 1 A 16 16 ALA CB C 16 21.900 19.200 2.700 1 1 129 . 9 1 1 A 16 16 ALA N N 16 120.900 123.642 -2.742 1 1 130 . 9 1 1 A 17 17 TYR H H 17 7.790 9.072 -1.282 1 1 131 . 9 1 1 A 17 17 TYR HA H 17 4.390 4.779 -0.389 1 1 136 . 9 1 1 A 17 17 TYR C C 17 173.000 174.660 -1.660 1 1 137 . 9 1 1 A 17 17 TYR CA C 17 56.400 56.803 -0.403 1 1 138 . 9 1 1 A 17 17 TYR CB C 17 39.700 39.078 0.622 1 1 141 . 9 1 1 A 17 17 TYR N N 17 114.800 127.076 -12.276 1 1 142 . 9 1 1 A 18 18 GLY H H 18 7.030 7.833 -0.803 1 1 143 . 9 1 1 A 18 18 GLY HA2 H 18 3.210 3.828 -0.618 1 1 144 . 9 1 1 A 18 18 GLY HA3 H 18 3.900 4.034 -0.134 1 1 145 . 9 1 1 A 18 18 GLY C C 18 172.200 174.036 -1.836 1 1 146 . 9 1 1 A 18 18 GLY CA C 18 44.900 43.220 1.680 1 1 147 . 9 1 1 A 18 18 GLY N N 18 108.600 112.657 -4.057 1 1 148 . 9 1 1 A 19 19 ASP H H 19 8.410 8.534 -0.124 1 1 149 . 9 1 1 A 19 19 ASP HA H 19 4.320 4.296 0.024 1 1 152 . 9 1 1 A 19 19 ASP C C 19 176.500 178.285 -1.785 1 1 153 . 9 1 1 A 19 19 ASP CA C 19 55.600 55.662 -0.062 1 1 154 . 9 1 1 A 19 19 ASP CB C 19 39.500 40.658 -1.158 1 1 155 . 9 1 1 A 19 19 ASP N N 19 120.400 119.874 0.526 1 1 156 . 9 1 1 A 20 20 GLY H H 20 8.670 7.948 0.722 1 1 157 . 9 1 1 A 20 20 GLY HA2 H 20 3.670 3.969 -0.299 1 1 158 . 9 1 1 A 20 20 GLY HA3 H 20 4.210 3.990 0.220 1 1 159 . 9 1 1 A 20 20 GLY C C 20 173.900 173.892 0.008 1 1 160 . 9 1 1 A 20 20 GLY CA C 20 45.800 46.229 -0.429 1 1 161 . 9 1 1 A 20 20 GLY N N 20 113.500 107.188 6.312 1 1 162 . 9 1 1 A 21 21 TYR H H 21 7.530 7.484 0.046 1 1 163 . 9 1 1 A 21 21 TYR HA H 21 5.480 5.241 0.239 1 1 168 . 9 1 1 A 21 21 TYR C C 21 172.800 173.026 -0.226 1 1 169 . 9 1 1 A 21 21 TYR CA C 21 56.700 55.896 0.804 1 1 170 . 9 1 1 A 21 21 TYR CB C 21 41.400 42.130 -0.730 1 1 173 . 9 1 1 A 21 21 TYR N N 21 114.300 113.671 0.629 1 1 174 . 9 1 1 A 22 22 ILE H H 22 8.780 8.905 -0.125 1 1 175 . 9 1 1 A 22 22 ILE HA H 22 4.350 4.719 -0.369 1 1 185 . 9 1 1 A 22 22 ILE C C 22 173.800 174.357 -0.557 1 1 186 . 9 1 1 A 22 22 ILE CA C 22 60.200 60.369 -0.169 1 1 187 . 9 1 1 A 22 22 ILE CB C 22 41.700 39.931 1.769 1 1 191 . 9 1 1 A 22 22 ILE N N 22 119.300 121.114 -1.814 1 1 192 . 9 1 1 A 23 23 GLU H H 23 9.010 8.988 0.022 1 1 193 . 9 1 1 A 23 23 GLU HA H 23 5.680 5.244 0.436 1 1 198 . 9 1 1 A 23 23 GLU C C 23 175.000 175.396 -0.396 1 1 199 . 9 1 1 A 23 23 GLU CA C 23 54.300 55.423 -1.123 1 1 200 . 9 1 1 A 23 23 GLU CB C 23 33.500 31.523 1.977 1 1 202 . 9 1 1 A 23 23 GLU N N 23 127.800 128.993 -1.193 1 1 203 . 9 1 1 A 24 24 VAL H H 24 8.980 9.118 -0.138 1 1 204 . 9 1 1 A 24 24 VAL HA H 24 4.840 4.490 0.350 1 1 212 . 9 1 1 A 24 24 VAL C C 24 177.300 175.914 1.386 1 1 213 . 9 1 1 A 24 24 VAL CA C 24 60.600 61.028 -0.428 1 1 214 . 9 1 1 A 24 24 VAL CB C 24 33.600 33.493 0.107 1 1 217 . 9 1 1 A 24 24 VAL N N 24 125.400 127.170 -1.770 1 1 218 . 9 1 1 A 25 25 ASN H H 25 9.340 9.765 -0.425 1 1 219 . 9 1 1 A 25 25 ASN HA H 25 4.340 4.439 -0.099 1 1 222 . 9 1 1 A 25 25 ASN C C 25 173.800 174.533 -0.733 1 1 223 . 9 1 1 A 25 25 ASN CA C 25 54.600 54.718 -0.118 1 1 224 . 9 1 1 A 25 25 ASN CB C 25 36.600 37.031 -0.431 1 1 225 . 9 1 1 A 25 25 ASN N N 25 127.800 127.353 0.447 1 1 226 . 9 1 1 A 26 26 GLN H H 26 7.920 8.074 -0.154 1 1 227 . 9 1 1 A 26 26 GLN HA H 26 3.670 3.853 -0.183 1 1 232 . 9 1 1 A 26 26 GLN C C 26 174.400 174.568 -0.168 1 1 233 . 9 1 1 A 26 26 GLN CA C 26 58.100 57.439 0.661 1 1 234 . 9 1 1 A 26 26 GLN CB C 26 26.500 26.563 -0.063 1 1 236 . 9 1 1 A 26 26 GLN N N 26 104.100 108.946 -4.846 1 1 237 . 9 1 1 A 27 27 VAL H H 27 7.850 7.873 -0.023 1 1 238 . 9 1 1 A 27 27 VAL HA H 27 3.900 4.017 -0.117 1 1 246 . 9 1 1 A 27 27 VAL C C 27 174.200 174.624 -0.424 1 1 247 . 9 1 1 A 27 27 VAL CA C 27 62.100 61.815 0.285 1 1 248 . 9 1 1 A 27 27 VAL CB C 27 32.500 32.554 -0.054 1 1 251 . 9 1 1 A 27 27 VAL N N 27 123.100 119.776 3.324 1 1 252 . 9 1 1 A 28 28 ARG H H 28 8.430 8.694 -0.264 1 1 253 . 9 1 1 A 28 28 ARG HA H 28 4.320 4.737 -0.417 1 1 256 . 9 1 1 A 28 28 ARG C C 28 175.200 174.702 0.498 1 1 257 . 9 1 1 A 28 28 ARG CA C 28 57.100 55.028 2.072 1 1 258 . 9 1 1 A 28 28 ARG CB C 28 31.300 31.023 0.277 1 1 259 . 9 1 1 A 28 28 ARG N N 28 126.200 127.753 -1.553 1 1 260 . 9 1 1 A 29 29 PHE H H 29 9.290 9.206 0.084 1 1 261 . 9 1 1 A 29 29 PHE HA H 29 4.580 4.940 -0.360 1 1 266 . 9 1 1 A 29 29 PHE C C 29 175.800 176.095 -0.295 1 1 267 . 9 1 1 A 29 29 PHE CA C 29 57.700 56.683 1.017 1 1 268 . 9 1 1 A 29 29 PHE CB C 29 42.000 41.434 0.566 1 1 271 . 9 1 1 A 29 29 PHE N N 29 123.900 123.906 -0.006 1 1 272 . 9 1 1 A 30 30 SER H H 30 8.950 9.108 -0.158 1 1 273 . 9 1 1 A 30 30 SER HA H 30 5.130 4.746 0.384 1 1 276 . 9 1 1 A 30 30 SER C C 30 172.900 173.795 -0.895 1 1 277 . 9 1 1 A 30 30 SER CA C 30 57.000 58.256 -1.256 1 1 278 . 9 1 1 A 30 30 SER CB C 30 63.200 64.308 -1.108 1 1 279 . 9 1 1 A 30 30 SER N N 30 119.400 114.927 4.473 1 1 280 . 9 1 1 A 31 31 HIS H H 31 7.170 7.536 -0.366 1 1 281 . 9 1 1 A 31 31 HIS HA H 31 4.840 5.376 -0.536 1 1 284 . 9 1 1 A 31 31 HIS C C 31 171.900 173.902 -2.002 1 1 285 . 9 1 1 A 31 31 HIS CA C 31 53.200 53.426 -0.226 1 1 286 . 9 1 1 A 31 31 HIS CB C 31 31.100 32.499 -1.399 1 1 287 . 9 1 1 A 31 31 HIS N N 31 114.600 115.872 -1.272 1 1 288 . 9 1 1 A 32 32 ALA H H 32 8.930 8.506 0.424 1 1 289 . 9 1 1 A 32 32 ALA HA H 32 5.050 4.469 0.581 1 1 293 . 9 1 1 A 32 32 ALA C C 32 179.000 177.563 1.437 1 1 294 . 9 1 1 A 32 32 ALA CA C 32 53.700 52.707 0.993 1 1 295 . 9 1 1 A 32 32 ALA CB C 32 20.700 19.512 1.188 1 1 296 . 9 1 1 A 32 32 ALA N N 32 120.200 121.889 -1.689 1 1 297 . 9 1 1 A 33 33 ILE H H 33 8.280 8.502 -0.222 1 1 298 . 9 1 1 A 33 33 ILE HA H 33 5.520 4.877 0.643 1 1 308 . 9 1 1 A 33 33 ILE C C 33 173.400 174.319 -0.919 1 1 309 . 9 1 1 A 33 33 ILE CA C 33 59.500 59.229 0.271 1 1 310 . 9 1 1 A 33 33 ILE CB C 33 44.500 42.024 2.476 1 1 313 . 9 1 1 A 33 33 ILE N N 33 115.800 117.030 -1.230 1 1 314 . 9 1 1 A 34 34 ALA H H 34 8.900 8.740 0.160 1 1 315 . 9 1 1 A 34 34 ALA HA H 34 5.290 5.131 0.159 1 1 319 . 9 1 1 A 34 34 ALA C C 34 176.100 175.784 0.316 1 1 320 . 9 1 1 A 34 34 ALA CA C 34 51.100 50.344 0.756 1 1 321 . 9 1 1 A 34 34 ALA CB C 34 21.900 21.211 0.689 1 1 322 . 9 1 1 A 34 34 ALA N N 34 121.600 125.283 -3.683 1 1 323 . 9 1 1 A 35 35 PHE H H 35 8.580 8.391 0.189 1 1 324 . 9 1 1 A 35 35 PHE HA H 35 4.740 5.305 -0.565 1 1 330 . 9 1 1 A 35 35 PHE C C 35 170.000 172.631 -2.631 1 1 331 . 9 1 1 A 35 35 PHE CA C 35 57.100 55.479 1.621 1 1 332 . 9 1 1 A 35 35 PHE CB C 35 39.700 42.349 -2.649 1 1 336 . 9 1 1 A 35 35 PHE N N 35 116.600 117.805 -1.205 1 1 337 . 9 1 1 A 36 36 ALA H H 36 8.730 8.209 0.521 1 1 338 . 9 1 1 A 36 36 ALA HA H 36 5.170 4.841 0.329 1 1 342 . 9 1 1 A 36 36 ALA CA C 36 49.100 49.833 -0.733 1 1 343 . 9 1 1 A 36 36 ALA CB C 36 20.500 22.030 -1.530 1 1 344 . 9 1 1 A 36 36 ALA N N 36 123.400 121.047 2.353 1 1 345 . 9 1 1 A 37 37 PRO HA H 37 4.740 4.506 0.234 1 1 350 . 9 1 1 A 37 37 PRO C C 37 176.500 177.786 -1.286 1 1 351 . 9 1 1 A 37 37 PRO CA C 37 66.200 65.500 0.700 1 1 352 . 9 1 1 A 37 37 PRO CB C 37 33.600 31.753 1.847 1 1 354 . 9 1 1 A 38 38 GLU H H 38 7.450 8.636 -1.186 1 1 355 . 9 1 1 A 38 38 GLU HA H 38 4.790 4.530 0.260 1 1 360 . 9 1 1 A 38 38 GLU C C 38 177.300 176.277 1.023 1 1 361 . 9 1 1 A 38 38 GLU CA C 38 54.200 56.406 -2.206 1 1 362 . 9 1 1 A 38 38 GLU CB C 38 32.600 29.935 2.665 1 1 364 . 9 1 1 A 38 38 GLU N N 38 110.100 116.178 -6.078 1 1 365 . 9 1 1 A 39 39 GLY H H 39 8.600 7.719 0.881 1 1 366 . 9 1 1 A 39 39 GLY HA2 H 39 3.920 4.209 -0.289 1 1 367 . 9 1 1 A 39 39 GLY HA3 H 39 4.440 4.214 0.226 1 1 368 . 9 1 1 A 39 39 GLY CA C 39 44.400 44.787 -0.387 1 1 369 . 9 1 1 A 39 39 GLY N N 39 109.500 108.409 1.091 1 1 370 . 9 1 1 A 40 40 PRO HA H 40 4.550 4.652 -0.102 1 1 375 . 9 1 1 A 40 40 PRO C C 40 177.100 175.343 1.757 1 1 376 . 9 1 1 A 40 40 PRO CA C 40 62.500 62.356 0.144 1 1 377 . 9 1 1 A 40 40 PRO CB C 40 32.700 33.177 -0.477 1 1 378 . 9 1 1 A 41 41 VAL H H 41 8.530 8.269 0.261 1 1 379 . 9 1 1 A 41 41 VAL HA H 41 3.900 4.474 -0.574 1 1 387 . 9 1 1 A 41 41 VAL C C 41 175.200 174.694 0.506 1 1 388 . 9 1 1 A 41 41 VAL CA C 41 63.000 60.971 2.029 1 1 389 . 9 1 1 A 41 41 VAL CB C 41 31.100 33.289 -2.189 1 1 392 . 9 1 1 A 41 41 VAL N N 41 123.000 119.230 3.770 1 1 393 . 9 1 1 A 42 42 ALA H H 42 8.320 9.375 -1.055 1 1 394 . 9 1 1 A 42 42 ALA HA H 42 4.750 5.079 -0.329 1 1 398 . 9 1 1 A 42 42 ALA C C 42 177.400 176.332 1.068 1 1 399 . 9 1 1 A 42 42 ALA CA C 42 50.800 50.522 0.278 1 1 400 . 9 1 1 A 42 42 ALA CB C 42 21.400 20.180 1.220 1 1 401 . 9 1 1 A 42 42 ALA N N 42 131.300 131.052 0.248 1 1 402 . 9 1 1 A 43 43 SER H H 43 8.660 8.845 -0.185 1 1 403 . 9 1 1 A 43 43 SER HA H 43 4.690 4.781 -0.091 1 1 406 . 9 1 1 A 43 43 SER CA C 43 59.000 57.676 1.324 1 1 407 . 9 1 1 A 43 43 SER CB C 43 62.800 63.833 -1.033 1 1 408 . 9 1 1 A 43 43 SER N N 43 115.400 118.694 -3.294 1 1 409 . 9 1 1 A 44 44 TRP HA H 44 5.470 4.982 0.488 1 1 418 . 9 1 1 A 44 44 TRP CA C 44 52.200 55.158 -2.958 1 1 419 . 9 1 1 A 44 44 TRP CB C 44 31.000 30.577 0.423 1 1 426 . 9 1 1 A 45 45 PRO HA H 45 4.550 4.514 0.036 1 1 431 . 9 1 1 A 45 45 PRO C C 45 173.000 176.119 -3.119 1 1 432 . 9 1 1 A 45 45 PRO CA C 45 63.300 63.863 -0.563 1 1 433 . 9 1 1 A 45 45 PRO CB C 45 27.800 32.158 -4.358 1 1 435 . 9 1 1 A 46 46 VAL H H 46 8.390 7.814 0.576 1 1 436 . 9 1 1 A 46 46 VAL HA H 46 3.770 4.075 -0.305 1 1 444 . 9 1 1 A 46 46 VAL C C 46 174.100 175.828 -1.728 1 1 445 . 9 1 1 A 46 46 VAL CA C 46 61.100 61.922 -0.822 1 1 446 . 9 1 1 A 46 46 VAL CB C 46 35.200 31.819 3.381 1 1 449 . 9 1 1 A 46 46 VAL N N 46 124.300 121.956 2.344 1 1 450 . 9 1 1 A 47 47 GLN H H 47 8.970 8.314 0.656 1 1 451 . 9 1 1 A 47 47 GLN HA H 47 4.430 4.582 -0.152 1 1 456 . 9 1 1 A 47 47 GLN C C 47 175.100 176.153 -1.053 1 1 457 . 9 1 1 A 47 47 GLN CA C 47 56.400 57.397 -0.997 1 1 458 . 9 1 1 A 47 47 GLN CB C 47 30.900 30.485 0.415 1 1 459 . 9 1 1 A 47 47 GLN N N 47 122.000 126.688 -4.688 1 1 460 . 9 1 1 A 48 48 ARG H H 48 7.720 7.556 0.164 1 1 461 . 9 1 1 A 48 48 ARG HA H 48 4.750 4.839 -0.089 1 1 468 . 9 1 1 A 48 48 ARG CA C 48 52.800 53.000 -0.200 1 1 469 . 9 1 1 A 48 48 ARG CB C 48 30.500 31.977 -1.477 1 1 471 . 9 1 1 A 48 48 ARG N N 48 116.600 118.198 -1.598 1 1 472 . 9 1 1 A 49 49 PRO HA H 49 3.750 4.409 -0.659 1 1 477 . 9 1 1 A 49 49 PRO C C 49 177.500 177.161 0.339 1 1 478 . 9 1 1 A 49 49 PRO CA C 49 65.400 64.394 1.006 1 1 479 . 9 1 1 A 49 49 PRO CB C 49 30.700 31.893 -1.193 1 1 481 . 9 1 1 A 50 50 ALA H H 50 7.960 8.215 -0.255 1 1 482 . 9 1 1 A 50 50 ALA HA H 50 4.010 4.064 -0.054 1 1 486 . 9 1 1 A 50 50 ALA C C 50 177.300 178.368 -1.068 1 1 487 . 9 1 1 A 50 50 ALA CA C 50 53.800 54.093 -0.293 1 1 488 . 9 1 1 A 50 50 ALA CB C 50 18.500 18.290 0.210 1 1 489 . 9 1 1 A 50 50 ALA N N 50 117.200 120.090 -2.890 1 1 490 . 9 1 1 A 51 51 ASP H H 51 7.570 7.989 -0.419 1 1 491 . 9 1 1 A 51 51 ASP HA H 51 4.410 4.641 -0.231 1 1 494 . 9 1 1 A 51 51 ASP C C 51 176.000 176.322 -0.322 1 1 495 . 9 1 1 A 51 51 ASP CA C 51 54.200 54.837 -0.637 1 1 496 . 9 1 1 A 51 51 ASP CB C 51 41.900 41.454 0.446 1 1 497 . 9 1 1 A 51 51 ASP N N 51 114.800 115.741 -0.941 1 1 498 . 9 1 1 A 52 52 ILE H H 52 7.290 7.040 0.250 1 1 499 . 9 1 1 A 52 52 ILE HA H 52 3.100 3.792 -0.692 1 1 509 . 9 1 1 A 52 52 ILE C C 52 174.800 175.328 -0.528 1 1 510 . 9 1 1 A 52 52 ILE CA C 52 65.100 62.102 2.998 1 1 511 . 9 1 1 A 52 52 ILE CB C 52 37.100 37.426 -0.326 1 1 515 . 9 1 1 A 52 52 ILE N N 52 117.700 121.404 -3.704 1 1 516 . 9 1 1 A 53 53 THR H H 53 6.560 8.404 -1.844 1 1 517 . 9 1 1 A 53 53 THR HA H 53 4.720 4.857 -0.137 1 1 522 . 9 1 1 A 53 53 THR C C 53 174.600 174.281 0.319 1 1 523 . 9 1 1 A 53 53 THR CA C 53 58.500 59.615 -1.115 1 1 524 . 9 1 1 A 53 53 THR CB C 53 72.900 71.160 1.740 1 1 526 . 9 1 1 A 53 53 THR N N 53 117.300 118.756 -1.456 1 1 527 . 9 1 1 A 54 54 ALA H H 54 9.340 8.937 0.403 1 1 528 . 9 1 1 A 54 54 ALA HA H 54 4.460 4.067 0.393 1 1 532 . 9 1 1 A 54 54 ALA C C 54 167.400 179.731 -12.331 1 1 533 . 9 1 1 A 54 54 ALA CA C 54 55.800 55.669 0.131 1 1 534 . 9 1 1 A 54 54 ALA CB C 54 18.200 18.153 0.047 1 1 535 . 9 1 1 A 54 54 ALA N N 54 123.800 127.123 -3.323 1 1 536 . 9 1 1 A 55 55 SER H H 55 8.530 8.091 0.439 1 1 537 . 9 1 1 A 55 55 SER HA H 55 4.280 4.089 0.191 1 1 541 . 9 1 1 A 55 55 SER C C 55 177.700 176.197 1.503 1 1 542 . 9 1 1 A 55 55 SER CA C 55 61.600 62.173 -0.573 1 1 543 . 9 1 1 A 55 55 SER CB C 55 62.600 63.086 -0.486 1 1 544 . 9 1 1 A 55 55 SER N N 55 112.600 113.762 -1.162 1 1 545 . 9 1 1 A 56 56 LEU H H 56 7.810 8.245 -0.435 1 1 546 . 9 1 1 A 56 56 LEU HA H 56 4.280 3.977 0.303 1 1 556 . 9 1 1 A 56 56 LEU C C 56 168.100 179.417 -11.317 1 1 557 . 9 1 1 A 56 56 LEU CA C 56 57.900 57.637 0.263 1 1 558 . 9 1 1 A 56 56 LEU CB C 56 42.100 41.076 1.024 1 1 562 . 9 1 1 A 56 56 LEU N N 56 122.500 120.709 1.791 1 1 563 . 9 1 1 A 57 57 LEU H H 57 8.490 8.055 0.435 1 1 564 . 9 1 1 A 57 57 LEU HA H 57 4.180 4.205 -0.025 1 1 574 . 9 1 1 A 57 57 LEU C C 57 178.000 179.239 -1.239 1 1 575 . 9 1 1 A 57 57 LEU CA C 57 58.300 58.323 -0.023 1 1 576 . 9 1 1 A 57 57 LEU CB C 57 41.200 40.866 0.334 1 1 580 . 9 1 1 A 57 57 LEU N N 57 123.900 119.154 4.746 1 1 581 . 9 1 1 A 58 58 GLN H H 58 8.500 8.592 -0.092 1 1 582 . 9 1 1 A 58 58 GLN HA H 58 3.680 3.979 -0.299 1 1 589 . 9 1 1 A 58 58 GLN C C 58 178.200 179.090 -0.890 1 1 590 . 9 1 1 A 58 58 GLN CA C 58 60.200 59.270 0.930 1 1 591 . 9 1 1 A 58 58 GLN CB C 58 28.500 28.614 -0.114 1 1 593 . 9 1 1 A 58 58 GLN N N 58 118.800 118.728 0.072 1 1 595 . 9 1 1 A 59 59 GLN H H 59 8.300 8.005 0.295 1 1 596 . 9 1 1 A 59 59 GLN HA H 59 4.090 4.101 -0.011 1 1 601 . 9 1 1 A 59 59 GLN C C 59 179.900 178.798 1.102 1 1 602 . 9 1 1 A 59 59 GLN CA C 59 58.900 58.868 0.032 1 1 603 . 9 1 1 A 59 59 GLN CB C 59 28.800 28.393 0.407 1 1 605 . 9 1 1 A 59 59 GLN N N 59 118.600 118.988 -0.388 1 1 606 . 9 1 1 A 60 60 ALA H H 60 7.850 8.365 -0.515 1 1 607 . 9 1 1 A 60 60 ALA HA H 60 3.580 4.153 -0.573 1 1 611 . 9 1 1 A 60 60 ALA C C 60 176.700 179.468 -2.768 1 1 612 . 9 1 1 A 60 60 ALA CA C 60 54.700 54.814 -0.114 1 1 613 . 9 1 1 A 60 60 ALA CB C 60 17.400 18.243 -0.843 1 1 614 . 9 1 1 A 60 60 ALA N N 60 122.500 121.859 0.641 1 1 615 . 9 1 1 A 61 61 ALA H H 61 7.540 7.384 0.156 1 1 616 . 9 1 1 A 61 61 ALA HA H 61 3.970 4.301 -0.331 1 1 620 . 9 1 1 A 61 61 ALA C C 61 176.300 177.908 -1.608 1 1 621 . 9 1 1 A 61 61 ALA CA C 61 52.400 51.980 0.420 1 1 622 . 9 1 1 A 61 61 ALA CB C 61 19.100 19.057 0.043 1 1 623 . 9 1 1 A 61 61 ALA N N 61 113.700 117.554 -3.854 1 1 624 . 9 1 1 A 62 62 GLY H H 62 7.600 7.924 -0.324 1 1 625 . 9 1 1 A 62 62 GLY HA2 H 62 3.890 3.994 -0.104 1 1 626 . 9 1 1 A 62 62 GLY HA3 H 62 3.980 3.999 -0.019 1 1 627 . 9 1 1 A 62 62 GLY C C 62 175.400 175.743 -0.343 1 1 628 . 9 1 1 A 62 62 GLY CA C 62 45.800 45.166 0.634 1 1 629 . 9 1 1 A 62 62 GLY N N 62 104.800 106.534 -1.734 1 1 630 . 9 1 1 A 63 63 LEU H H 63 7.770 7.767 0.003 1 1 631 . 9 1 1 A 63 63 LEU HA H 63 4.430 4.405 0.025 1 1 640 . 9 1 1 A 63 63 LEU C C 63 176.400 177.827 -1.427 1 1 641 . 9 1 1 A 63 63 LEU CA C 63 54.000 54.708 -0.708 1 1 642 . 9 1 1 A 63 63 LEU CB C 63 42.500 41.108 1.392 1 1 645 . 9 1 1 A 63 63 LEU N N 63 119.100 122.095 -2.995 1 1 646 . 9 1 1 A 64 64 ALA H H 64 8.060 7.713 0.347 1 1 647 . 9 1 1 A 64 64 ALA HA H 64 4.160 4.281 -0.121 1 1 651 . 9 1 1 A 64 64 ALA C C 64 177.300 179.174 -1.874 1 1 652 . 9 1 1 A 64 64 ALA CA C 64 52.700 54.910 -2.210 1 1 653 . 9 1 1 A 64 64 ALA CB C 64 19.700 19.202 0.498 1 1 654 . 9 1 1 A 64 64 ALA N N 64 122.900 123.308 -0.408 1 1 655 . 9 1 1 A 65 65 GLU H H 65 8.260 7.904 0.356 1 1 656 . 9 1 1 A 65 65 GLU C C 65 176.300 176.604 -0.304 1 1 657 . 9 1 1 A 65 65 GLU CA C 65 56.400 56.498 -0.098 1 1 658 . 9 1 1 A 65 65 GLU CB C 65 30.100 30.352 -0.252 1 1 659 . 9 1 1 A 65 65 GLU N N 65 118.900 114.758 4.142 1 1 660 . 9 1 1 A 66 66 VAL H H 66 7.960 7.510 0.450 1 1 661 . 9 1 1 A 66 66 VAL HA H 66 4.020 4.093 -0.073 1 1 663 . 9 1 1 A 66 66 VAL C C 66 175.900 175.545 0.355 1 1 664 . 9 1 1 A 66 66 VAL CA C 66 62.300 62.155 0.145 1 1 665 . 9 1 1 A 66 66 VAL CB C 66 32.800 32.338 0.462 1 1 666 . 9 1 1 A 66 66 VAL N N 66 121.500 120.909 0.591 1 1 667 . 9 1 1 A 67 67 VAL H H 67 8.210 8.349 -0.139 1 1 668 . 9 1 1 A 67 67 VAL C C 67 175.800 176.643 -0.843 1 1 669 . 9 1 1 A 67 67 VAL CA C 67 62.200 62.499 -0.299 1 1 670 . 9 1 1 A 67 67 VAL CB C 67 32.600 32.562 0.038 1 1 671 . 9 1 1 A 67 67 VAL N N 67 124.900 125.739 -0.839 1 1 672 . 9 1 1 A 68 68 ARG H H 68 8.380 8.839 -0.459 1 1 673 . 9 1 1 A 68 68 ARG HA H 68 4.270 4.316 -0.046 1 1 674 . 9 1 1 A 68 68 ARG C C 68 175.400 175.579 -0.179 1 1 675 . 9 1 1 A 68 68 ARG CA C 68 55.700 57.818 -2.118 1 1 676 . 9 1 1 A 68 68 ARG CB C 68 31.100 31.267 -0.167 1 1 677 . 9 1 1 A 68 68 ARG N N 68 125.900 125.944 -0.044 1 1 678 . 9 1 1 A 69 69 ASP H H 69 8.390 7.664 0.726 1 1 679 . 9 1 1 A 69 69 ASP HA H 69 4.800 5.023 -0.223 1 1 682 . 9 1 1 A 69 69 ASP CA C 69 51.700 51.248 0.452 1 1 683 . 9 1 1 A 69 69 ASP CB C 69 41.700 41.414 0.286 1 1 684 . 9 1 1 A 69 69 ASP N N 69 123.600 117.574 6.026 1 1 685 . 9 1 1 A 70 70 PRO HA H 70 4.290 4.465 -0.175 1 1 688 . 9 1 1 A 70 70 PRO C C 70 177.500 177.223 0.277 1 1 689 . 9 1 1 A 70 70 PRO CA C 70 64.100 64.155 -0.055 1 1 690 . 9 1 1 A 70 70 PRO CB C 70 32.300 31.828 0.472 1 1 691 . 9 1 1 A 71 71 LEU H H 71 8.280 7.862 0.418 1 1 692 . 9 1 1 A 71 71 LEU HA H 71 4.260 4.345 -0.085 1 1 698 . 9 1 1 A 71 71 LEU C C 71 177.600 176.883 0.717 1 1 699 . 9 1 1 A 71 71 LEU CA C 71 55.100 54.289 0.811 1 1 700 . 9 1 1 A 71 71 LEU CB C 71 41.200 41.395 -0.195 1 1 702 . 9 1 1 A 71 71 LEU N N 71 118.400 116.175 2.225 1 1 703 . 9 1 1 A 72 72 ALA H H 72 7.660 6.958 0.702 1 1 704 . 9 1 1 A 72 72 ALA HA H 72 4.170 4.050 0.120 1 1 708 . 9 1 1 A 72 72 ALA C C 72 177.400 177.001 0.399 1 1 709 . 9 1 1 A 72 72 ALA CA C 72 52.600 51.445 1.155 1 1 710 . 9 1 1 A 72 72 ALA CB C 72 19.200 20.897 -1.697 1 1 711 . 9 1 1 A 72 72 ALA N N 72 122.900 123.460 -0.560 1 1 712 . 9 1 1 A 73 73 PHE H H 73 7.940 8.771 -0.831 1 1 713 . 9 1 1 A 73 73 PHE HA H 73 4.510 4.237 0.273 1 1 717 . 9 1 1 A 73 73 PHE C C 73 175.600 175.403 0.197 1 1 718 . 9 1 1 A 73 73 PHE CA C 73 57.800 59.638 -1.838 1 1 719 . 9 1 1 A 73 73 PHE CB C 73 39.100 39.446 -0.346 1 1 720 . 9 1 1 A 73 73 PHE N N 73 118.200 120.826 -2.626 1 1 721 . 9 1 1 A 74 74 LEU H H 74 7.890 8.205 -0.315 1 1 722 . 9 1 1 A 74 74 LEU CA C 74 55.200 56.391 -1.191 1 1 723 . 9 1 1 A 74 74 LEU CB C 74 42.400 40.082 2.318 1 1 724 . 9 1 1 A 74 74 LEU N N 74 122.600 117.608 4.992 1 1 725 . 9 1 1 A 78 78 GLU C C 78 176.600 175.641 0.959 1 1 726 . 9 1 1 A 78 78 GLU CA C 78 57.500 55.600 1.900 1 1 727 . 9 1 1 A 78 78 GLU CB C 78 30.100 31.464 -1.364 1 1 728 . 9 1 1 A 79 79 ALA H H 79 8.460 8.764 -0.304 1 1 729 . 9 1 1 A 79 79 ALA C C 79 178.300 176.493 1.807 1 1 730 . 9 1 1 A 79 79 ALA CA C 79 52.900 50.493 2.407 1 1 731 . 9 1 1 A 79 79 ALA CB C 79 19.200 23.275 -4.075 1 1 732 . 9 1 1 A 79 79 ALA N N 79 124.700 126.023 -1.323 1 1 733 . 9 1 1 A 80 80 GLY H H 80 8.330 8.307 0.023 1 1 734 . 9 1 1 A 80 80 GLY C C 80 174.100 172.095 2.005 1 1 735 . 9 1 1 A 80 80 GLY CA C 80 45.100 46.023 -0.923 1 1 736 . 9 1 1 A 80 80 GLY N N 80 108.200 106.764 1.436 1 1 737 . 9 1 1 A 81 81 ALA H H 81 8.140 8.213 -0.073 1 1 738 . 9 1 1 A 81 81 ALA HA H 81 4.170 4.430 -0.260 1 1 739 . 9 1 1 A 81 81 ALA C C 81 178.400 177.569 0.831 1 1 740 . 9 1 1 A 81 81 ALA CA C 81 52.800 51.979 0.821 1 1 741 . 9 1 1 A 81 81 ALA CB C 81 19.200 18.583 0.617 1 1 742 . 9 1 1 A 81 81 ALA N N 81 123.600 126.517 -2.917 1 1 743 . 9 1 1 A 82 82 GLY H H 82 8.400 8.518 -0.118 1 1 744 . 9 1 1 A 82 82 GLY HA2 H 82 3.860 4.111 -0.251 1 1 745 . 9 1 1 A 82 82 GLY HA3 H 82 2.880 4.116 -1.236 1 1 746 . 9 1 1 A 82 82 GLY C C 82 173.600 173.307 0.293 1 1 747 . 9 1 1 A 82 82 GLY CA C 82 45.200 44.365 0.835 1 1 748 . 9 1 1 A 82 82 GLY N N 82 108.000 111.153 -3.153 1 1 749 . 9 1 1 A 83 83 ALA H H 83 7.980 8.148 -0.168 1 1 750 . 9 1 1 A 83 83 ALA HA H 83 4.280 4.452 -0.172 1 1 754 . 9 1 1 A 83 83 ALA C C 83 177.200 177.637 -0.437 1 1 755 . 9 1 1 A 83 83 ALA CA C 83 52.100 52.064 0.036 1 1 756 . 9 1 1 A 83 83 ALA CB C 83 19.500 18.999 0.501 1 1 757 . 9 1 1 A 83 83 ALA N N 83 123.300 123.936 -0.636 1 1 758 . 9 1 1 A 84 84 ARG H H 84 8.240 8.325 -0.085 1 1 759 . 9 1 1 A 84 84 ARG HA H 84 4.610 4.874 -0.264 1 1 762 . 9 1 1 A 84 84 ARG CA C 84 54.000 53.101 0.899 1 1 763 . 9 1 1 A 84 84 ARG CB C 84 30.500 32.068 -1.568 1 1 764 . 9 1 1 A 84 84 ARG N N 84 121.700 122.066 -0.366 1 1 765 . 9 1 1 A 85 85 PRO HA H 85 4.390 4.319 0.071 1 1 770 . 9 1 1 A 85 85 PRO C C 85 177.000 177.401 -0.401 1 1 771 . 9 1 1 A 85 85 PRO CA C 85 62.900 65.445 -2.545 1 1 772 . 9 1 1 A 85 85 PRO CB C 85 32.200 31.686 0.514 1 1 773 . 9 1 1 A 86 86 ALA H H 86 8.600 8.127 0.473 1 1 774 . 9 1 1 A 86 86 ALA HA H 86 4.150 4.197 -0.047 1 1 778 . 9 1 1 A 86 86 ALA C C 86 177.800 178.527 -0.727 1 1 779 . 9 1 1 A 86 86 ALA CA C 86 53.400 53.883 -0.483 1 1 780 . 9 1 1 A 86 86 ALA CB C 86 18.900 18.426 0.474 1 1 781 . 9 1 1 A 86 86 ALA N N 86 124.900 119.034 5.866 1 1 782 . 9 1 1 A 87 87 ASN H H 87 8.380 7.997 0.383 1 1 783 . 9 1 1 A 87 87 ASN HA H 87 4.590 4.722 -0.132 1 1 786 . 9 1 1 A 87 87 ASN C C 87 174.400 175.642 -1.242 1 1 787 . 9 1 1 A 87 87 ASN CA C 87 52.600 53.961 -1.361 1 1 788 . 9 1 1 A 87 87 ASN CB C 87 38.300 39.017 -0.717 1 1 789 . 9 1 1 A 87 87 ASN N N 87 114.900 114.833 0.067 1 1 790 . 9 1 1 A 88 88 ALA H H 88 7.800 7.371 0.429 1 1 791 . 9 1 1 A 88 88 ALA HA H 88 4.400 4.454 -0.054 1 1 795 . 9 1 1 A 88 88 ALA CA C 88 50.400 50.804 -0.404 1 1 796 . 9 1 1 A 88 88 ALA CB C 88 17.900 18.370 -0.470 1 1 797 . 9 1 1 A 88 88 ALA N N 88 123.600 122.651 0.949 1 1 798 . 9 1 1 A 89 89 PRO HA H 89 4.390 4.510 -0.120 1 1 805 . 9 1 1 A 89 89 PRO C C 89 175.000 177.125 -2.125 1 1 806 . 9 1 1 A 89 89 PRO CA C 89 62.400 62.752 -0.352 1 1 807 . 9 1 1 A 89 89 PRO CB C 89 31.700 32.778 -1.078 1 1 810 . 9 1 1 A 90 90 GLU H H 90 9.000 9.237 -0.237 1 1 811 . 9 1 1 A 90 90 GLU HA H 90 4.310 4.255 0.055 1 1 814 . 9 1 1 A 90 90 GLU C C 90 177.300 176.377 0.923 1 1 815 . 9 1 1 A 90 90 GLU CA C 90 58.000 59.529 -1.529 1 1 816 . 9 1 1 A 90 90 GLU CB C 90 31.400 31.328 0.072 1 1 817 . 9 1 1 A 90 90 GLU N N 90 117.700 120.178 -2.478 1 1 818 . 9 1 1 A 91 91 VAL H H 91 7.310 7.404 -0.094 1 1 819 . 9 1 1 A 91 91 VAL HA H 91 4.570 5.117 -0.547 1 1 827 . 9 1 1 A 91 91 VAL C C 91 171.000 173.656 -2.656 1 1 828 . 9 1 1 A 91 91 VAL CA C 91 59.700 59.921 -0.221 1 1 829 . 9 1 1 A 91 91 VAL CB C 91 35.600 35.318 0.282 1 1 832 . 9 1 1 A 91 91 VAL N N 91 115.900 116.779 -0.879 1 1 833 . 9 1 1 A 92 92 LEU H H 92 8.700 8.946 -0.246 1 1 834 . 9 1 1 A 92 92 LEU HA H 92 4.950 5.453 -0.503 1 1 844 . 9 1 1 A 92 92 LEU C C 92 174.300 175.101 -0.801 1 1 845 . 9 1 1 A 92 92 LEU CA C 92 52.700 52.946 -0.246 1 1 846 . 9 1 1 A 92 92 LEU CB C 92 44.100 44.923 -0.823 1 1 850 . 9 1 1 A 92 92 LEU N N 92 128.500 123.823 4.677 1 1 851 . 9 1 1 A 93 93 LEU H H 93 8.770 9.647 -0.877 1 1 852 . 9 1 1 A 93 93 LEU HA H 93 4.910 5.097 -0.187 1 1 862 . 9 1 1 A 93 93 LEU C C 93 174.900 175.337 -0.437 1 1 863 . 9 1 1 A 93 93 LEU CA C 93 52.600 53.179 -0.579 1 1 864 . 9 1 1 A 93 93 LEU CB C 93 44.300 42.594 1.706 1 1 868 . 9 1 1 A 93 93 LEU N N 93 127.300 124.545 2.755 1 1 869 . 9 1 1 A 94 94 VAL H H 94 8.800 9.550 -0.750 1 1 870 . 9 1 1 A 94 94 VAL HA H 94 4.880 4.464 0.416 1 1 878 . 9 1 1 A 94 94 VAL C C 94 175.000 175.386 -0.386 1 1 879 . 9 1 1 A 94 94 VAL CA C 94 60.000 61.335 -1.335 1 1 880 . 9 1 1 A 94 94 VAL CB C 94 33.900 32.458 1.442 1 1 883 . 9 1 1 A 94 94 VAL N N 94 122.000 125.925 -3.925 1 1 884 . 9 1 1 A 95 95 GLY H H 95 9.730 9.317 0.413 1 1 885 . 9 1 1 A 95 95 GLY HA2 H 95 3.240 4.002 -0.762 1 1 886 . 9 1 1 A 95 95 GLY HA3 H 95 4.940 4.017 0.923 1 1 887 . 9 1 1 A 95 95 GLY C C 95 175.000 175.432 -0.432 1 1 888 . 9 1 1 A 95 95 GLY CA C 95 45.500 45.671 -0.171 1 1 889 . 9 1 1 A 95 95 GLY N N 95 114.000 115.622 -1.622 1 1 890 . 9 1 1 A 96 96 THR H H 96 9.320 8.304 1.016 1 1 891 . 9 1 1 A 96 96 THR HA H 96 4.210 4.351 -0.141 1 1 896 . 9 1 1 A 96 96 THR C C 96 173.000 175.668 -2.668 1 1 897 . 9 1 1 A 96 96 THR CA C 96 61.800 63.538 -1.738 1 1 898 . 9 1 1 A 96 96 THR CB C 96 67.600 70.355 -2.755 1 1 900 . 9 1 1 A 96 96 THR N N 96 113.800 116.920 -3.120 1 1 901 . 9 1 1 A 97 97 GLY H H 97 8.600 8.047 0.553 1 1 902 . 9 1 1 A 97 97 GLY HA2 H 97 3.580 3.914 -0.334 1 1 903 . 9 1 1 A 97 97 GLY HA3 H 97 4.500 3.925 0.575 1 1 904 . 9 1 1 A 97 97 GLY C C 97 174.800 175.284 -0.484 1 1 905 . 9 1 1 A 97 97 GLY CA C 97 44.000 47.287 -3.287 1 1 906 . 9 1 1 A 97 97 GLY N N 97 110.900 110.831 0.069 1 1 907 . 9 1 1 A 98 98 ARG H H 98 9.400 8.636 0.764 1 1 908 . 9 1 1 A 98 98 ARG HA H 98 4.110 4.087 0.023 1 1 911 . 9 1 1 A 98 98 ARG C C 98 175.700 176.390 -0.690 1 1 912 . 9 1 1 A 98 98 ARG CA C 98 58.800 58.589 0.211 1 1 913 . 9 1 1 A 98 98 ARG CB C 98 30.700 30.866 -0.166 1 1 914 . 9 1 1 A 98 98 ARG N N 98 125.500 126.186 -0.686 1 1 915 . 9 1 1 A 99 99 ARG H H 99 8.180 7.631 0.549 1 1 916 . 9 1 1 A 99 99 ARG HA H 99 4.640 4.561 0.079 1 1 919 . 9 1 1 A 99 99 ARG C C 99 175.000 173.667 1.333 1 1 920 . 9 1 1 A 99 99 ARG CA C 99 53.100 54.855 -1.755 1 1 921 . 9 1 1 A 99 99 ARG CB C 99 33.200 32.080 1.120 1 1 922 . 9 1 1 A 99 99 ARG N N 99 114.300 113.824 0.476 1 1 923 . 9 1 1 A 100 100 GLN H H 100 8.710 8.453 0.257 1 1 924 . 9 1 1 A 100 100 GLN HA H 100 3.620 5.082 -1.462 1 1 929 . 9 1 1 A 100 100 GLN C C 100 173.900 174.866 -0.966 1 1 930 . 9 1 1 A 100 100 GLN CA C 100 56.400 56.454 -0.054 1 1 931 . 9 1 1 A 100 100 GLN CB C 100 29.600 29.697 -0.097 1 1 933 . 9 1 1 A 100 100 GLN N N 100 121.700 122.153 -0.453 1 1 934 . 9 1 1 A 101 101 HIS H H 101 7.900 8.940 -1.040 1 1 935 . 9 1 1 A 101 101 HIS HA H 101 4.530 5.021 -0.491 1 1 939 . 9 1 1 A 101 101 HIS C C 101 173.100 173.678 -0.578 1 1 940 . 9 1 1 A 101 101 HIS CA C 101 55.100 54.690 0.410 1 1 941 . 9 1 1 A 101 101 HIS CB C 101 32.100 34.633 -2.533 1 1 942 . 9 1 1 A 101 101 HIS N N 101 130.600 123.345 7.255 1 1 943 . 9 1 1 A 102 102 LEU H H 102 8.080 8.913 -0.833 1 1 944 . 9 1 1 A 102 102 LEU HA H 102 4.060 5.000 -0.940 1 1 948 . 9 1 1 A 102 102 LEU C C 102 177.200 175.117 2.083 1 1 949 . 9 1 1 A 102 102 LEU CA C 102 54.900 53.621 1.279 1 1 950 . 9 1 1 A 102 102 LEU CB C 102 41.600 44.550 -2.950 1 1 951 . 9 1 1 A 102 102 LEU N N 102 121.400 123.046 -1.646 1 1 952 . 9 1 1 A 103 103 LEU H H 103 8.260 8.953 -0.693 1 1 953 . 9 1 1 A 103 103 LEU HA H 103 4.490 4.601 -0.111 1 1 963 . 9 1 1 A 103 103 LEU C C 103 177.100 176.854 0.246 1 1 964 . 9 1 1 A 103 103 LEU CA C 103 53.400 54.610 -1.210 1 1 965 . 9 1 1 A 103 103 LEU CB C 103 42.600 42.016 0.584 1 1 969 . 9 1 1 A 103 103 LEU N N 103 123.000 128.632 -5.632 1 1 970 . 9 1 1 A 104 104 GLY H H 104 8.820 8.262 0.558 1 1 971 . 9 1 1 A 104 104 GLY HA2 H 104 3.930 4.147 -0.217 1 1 972 . 9 1 1 A 104 104 GLY HA3 H 104 4.440 4.150 0.290 1 1 973 . 9 1 1 A 104 104 GLY CA C 104 44.500 43.684 0.816 1 1 974 . 9 1 1 A 104 104 GLY N N 104 110.200 112.094 -1.894 1 1 975 . 9 1 1 A 105 105 PRO HA H 105 4.230 4.494 -0.264 1 1 978 . 9 1 1 A 105 105 PRO C C 105 178.900 177.566 1.334 1 1 979 . 9 1 1 A 105 105 PRO CA C 105 65.200 64.162 1.038 1 1 980 . 9 1 1 A 105 105 PRO CB C 105 31.900 31.761 0.139 1 1 981 . 9 1 1 A 106 106 GLU H H 106 9.150 8.361 0.789 1 1 982 . 9 1 1 A 106 106 GLU HA H 106 4.080 4.235 -0.155 1 1 987 . 9 1 1 A 106 106 GLU C C 106 178.500 178.079 0.421 1 1 988 . 9 1 1 A 106 106 GLU CA C 106 58.600 58.661 -0.061 1 1 989 . 9 1 1 A 106 106 GLU CB C 106 28.500 29.790 -1.290 1 1 991 . 9 1 1 A 106 106 GLU N N 106 115.400 118.245 -2.845 1 1 992 . 9 1 1 A 107 107 GLN H H 107 7.680 7.953 -0.273 1 1 993 . 9 1 1 A 107 107 GLN HA H 107 4.160 4.393 -0.233 1 1 998 . 9 1 1 A 107 107 GLN C C 107 175.200 177.729 -2.529 1 1 999 . 9 1 1 A 107 107 GLN CA C 107 58.500 57.354 1.146 1 1 1000 . 9 1 1 A 107 107 GLN CB C 107 29.400 29.745 -0.345 1 1 1002 . 9 1 1 A 107 107 GLN N N 107 116.100 117.612 -1.512 1 1 1003 . 9 1 1 A 108 108 VAL H H 108 7.080 7.703 -0.623 1 1 1004 . 9 1 1 A 108 108 VAL HA H 108 4.270 4.057 0.213 1 1 1012 . 9 1 1 A 108 108 VAL C C 108 177.500 177.221 0.279 1 1 1013 . 9 1 1 A 108 108 VAL CA C 108 62.000 62.219 -0.219 1 1 1014 . 9 1 1 A 108 108 VAL CB C 108 33.000 31.844 1.156 1 1 1017 . 9 1 1 A 108 108 VAL N N 108 104.800 115.223 -10.423 1 1 1018 . 9 1 1 A 109 109 ARG H H 109 8.220 7.947 0.273 1 1 1019 . 9 1 1 A 109 109 ARG HA H 109 4.060 4.110 -0.050 1 1 1024 . 9 1 1 A 109 109 ARG CA C 109 61.700 61.254 0.446 1 1 1025 . 9 1 1 A 109 109 ARG CB C 109 27.600 27.926 -0.326 1 1 1027 . 9 1 1 A 109 109 ARG N N 109 123.100 122.970 0.130 1 1 1028 . 9 1 1 A 110 110 PRO HA H 110 4.290 4.376 -0.086 1 1 1035 . 9 1 1 A 110 110 PRO C C 110 173.000 179.223 -6.223 1 1 1036 . 9 1 1 A 110 110 PRO CA C 110 65.800 65.330 0.470 1 1 1037 . 9 1 1 A 110 110 PRO CB C 110 31.400 30.960 0.440 1 1 1040 . 9 1 1 A 111 111 LEU H H 111 7.080 7.572 -0.492 1 1 1041 . 9 1 1 A 111 111 LEU HA H 111 4.050 3.971 0.079 1 1 1051 . 9 1 1 A 111 111 LEU C C 111 178.800 179.300 -0.500 1 1 1052 . 9 1 1 A 111 111 LEU CA C 111 57.400 57.691 -0.291 1 1 1053 . 9 1 1 A 111 111 LEU CB C 111 40.100 41.766 -1.666 1 1 1056 . 9 1 1 A 111 111 LEU N N 111 117.700 117.398 0.302 1 1 1057 . 9 1 1 A 112 112 LEU H H 112 7.950 8.095 -0.145 1 1 1058 . 9 1 1 A 112 112 LEU HA H 112 4.050 4.013 0.037 1 1 1068 . 9 1 1 A 112 112 LEU C C 112 169.000 179.647 -10.647 1 1 1069 . 9 1 1 A 112 112 LEU CA C 112 58.000 57.791 0.209 1 1 1070 . 9 1 1 A 112 112 LEU CB C 112 41.100 40.192 0.908 1 1 1074 . 9 1 1 A 112 112 LEU N N 112 121.700 118.629 3.071 1 1 1075 . 9 1 1 A 113 113 ALA H H 113 8.230 8.279 -0.049 1 1 1076 . 9 1 1 A 113 113 ALA HA H 113 4.110 4.072 0.038 1 1 1080 . 9 1 1 A 113 113 ALA C C 113 178.700 179.351 -0.651 1 1 1081 . 9 1 1 A 113 113 ALA CA C 113 54.400 54.770 -0.370 1 1 1082 . 9 1 1 A 113 113 ALA CB C 113 18.100 18.179 -0.079 1 1 1083 . 9 1 1 A 113 113 ALA N N 113 120.900 122.349 -1.449 1 1 1084 . 9 1 1 A 114 114 MET H H 114 7.270 7.585 -0.315 1 1 1085 . 9 1 1 A 114 114 MET HA H 114 4.490 4.454 0.036 1 1 1093 . 9 1 1 A 114 114 MET C C 114 175.100 176.175 -1.075 1 1 1094 . 9 1 1 A 114 114 MET CA C 114 55.100 56.144 -1.044 1 1 1095 . 9 1 1 A 114 114 MET CB C 114 33.700 33.129 0.571 1 1 1098 . 9 1 1 A 114 114 MET N N 114 115.100 115.653 -0.553 1 1 1099 . 9 1 1 A 115 115 GLY H H 115 7.830 7.871 -0.041 1 1 1100 . 9 1 1 A 115 115 GLY HA2 H 115 3.660 4.066 -0.406 1 1 1101 . 9 1 1 A 115 115 GLY HA3 H 115 4.060 4.066 -0.006 1 1 1102 . 9 1 1 A 115 115 GLY C C 115 173.700 174.267 -0.567 1 1 1103 . 9 1 1 A 115 115 GLY CA C 115 45.600 44.901 0.699 1 1 1104 . 9 1 1 A 115 115 GLY N N 115 106.300 106.031 0.269 1 1 1105 . 9 1 1 A 116 116 VAL H H 116 7.710 7.579 0.131 1 1 1106 . 9 1 1 A 116 116 VAL HA H 116 3.820 4.025 -0.205 1 1 1114 . 9 1 1 A 116 116 VAL C C 116 174.800 175.508 -0.708 1 1 1115 . 9 1 1 A 116 116 VAL CA C 116 61.200 62.454 -1.254 1 1 1116 . 9 1 1 A 116 116 VAL CB C 116 32.800 31.748 1.052 1 1 1119 . 9 1 1 A 116 116 VAL N N 116 123.600 122.691 0.909 1 1 1120 . 9 1 1 A 117 117 GLY H H 117 7.730 8.953 -1.223 1 1 1121 . 9 1 1 A 117 117 GLY HA2 H 117 3.570 4.044 -0.474 1 1 1122 . 9 1 1 A 117 117 GLY HA3 H 117 4.040 4.046 -0.006 1 1 1123 . 9 1 1 A 117 117 GLY C C 117 172.600 171.889 0.711 1 1 1124 . 9 1 1 A 117 117 GLY CA C 117 45.500 45.146 0.354 1 1 1125 . 9 1 1 A 117 117 GLY N N 117 111.400 114.902 -3.502 1 1 1126 . 9 1 1 A 118 118 VAL H H 118 7.740 8.618 -0.878 1 1 1127 . 9 1 1 A 118 118 VAL HA H 118 5.100 5.064 0.036 1 1 1135 . 9 1 1 A 118 118 VAL C C 118 175.500 173.523 1.977 1 1 1136 . 9 1 1 A 118 118 VAL CA C 118 61.000 59.219 1.781 1 1 1137 . 9 1 1 A 118 118 VAL CB C 118 34.300 35.678 -1.378 1 1 1140 . 9 1 1 A 118 118 VAL N N 118 120.900 122.750 -1.850 1 1 1141 . 9 1 1 A 119 119 GLU H H 119 8.490 8.636 -0.146 1 1 1142 . 9 1 1 A 119 119 GLU HA H 119 4.630 4.860 -0.230 1 1 1147 . 9 1 1 A 119 119 GLU C C 119 173.500 174.161 -0.661 1 1 1148 . 9 1 1 A 119 119 GLU CA C 119 54.600 54.847 -0.247 1 1 1149 . 9 1 1 A 119 119 GLU CB C 119 32.300 33.486 -1.186 1 1 1151 . 9 1 1 A 119 119 GLU N N 119 127.000 126.932 0.068 1 1 1152 . 9 1 1 A 120 120 ALA H H 120 8.600 8.882 -0.282 1 1 1153 . 9 1 1 A 120 120 ALA HA H 120 5.530 5.341 0.189 1 1 1157 . 9 1 1 A 120 120 ALA C C 120 177.100 176.322 0.778 1 1 1158 . 9 1 1 A 120 120 ALA CA C 120 50.300 50.314 -0.014 1 1 1159 . 9 1 1 A 120 120 ALA CB C 120 20.800 21.100 -0.300 1 1 1160 . 9 1 1 A 120 120 ALA N N 120 126.500 128.625 -2.125 1 1 1161 . 9 1 1 A 121 121 MET H H 121 9.430 8.989 0.441 1 1 1162 . 9 1 1 A 121 121 MET HA H 121 4.630 5.011 -0.381 1 1 1170 . 9 1 1 A 121 121 MET C C 121 173.300 173.409 -0.109 1 1 1171 . 9 1 1 A 121 121 MET CA C 121 54.600 54.266 0.334 1 1 1172 . 9 1 1 A 121 121 MET CB C 121 36.800 35.918 0.882 1 1 1175 . 9 1 1 A 121 121 MET N N 121 120.400 121.640 -1.240 1 1 1176 . 9 1 1 A 122 122 ASP H H 122 8.460 8.809 -0.349 1 1 1177 . 9 1 1 A 122 122 ASP HA H 122 4.170 4.732 -0.562 1 1 1180 . 9 1 1 A 122 122 ASP C C 122 175.200 177.178 -1.978 1 1 1181 . 9 1 1 A 122 122 ASP CA C 122 55.000 54.054 0.946 1 1 1182 . 9 1 1 A 122 122 ASP CB C 122 41.000 42.448 -1.448 1 1 1183 . 9 1 1 A 122 122 ASP N N 122 116.700 123.173 -6.473 1 1 1184 . 9 1 1 A 123 123 THR H H 123 9.580 8.832 0.748 1 1 1185 . 9 1 1 A 123 123 THR HA H 123 3.670 3.867 -0.197 1 1 1191 . 9 1 1 A 123 123 THR C C 123 174.400 176.493 -2.093 1 1 1192 . 9 1 1 A 123 123 THR CA C 123 68.700 66.895 1.805 1 1 1193 . 9 1 1 A 123 123 THR CB C 123 68.800 69.156 -0.356 1 1 1195 . 9 1 1 A 123 123 THR N N 123 119.600 119.208 0.392 1 1 1196 . 9 1 1 A 124 124 GLN H H 124 8.580 8.194 0.386 1 1 1197 . 9 1 1 A 124 124 GLN HA H 124 3.240 3.652 -0.412 1 1 1202 . 9 1 1 A 124 124 GLN C C 124 177.700 177.489 0.211 1 1 1203 . 9 1 1 A 124 124 GLN CA C 124 60.100 58.404 1.696 1 1 1204 . 9 1 1 A 124 124 GLN CB C 124 27.400 28.768 -1.368 1 1 1206 . 9 1 1 A 124 124 GLN N N 124 121.500 120.881 0.619 1 1 1207 . 9 1 1 A 125 125 ALA H H 125 8.210 8.088 0.122 1 1 1208 . 9 1 1 A 125 125 ALA HA H 125 3.960 4.089 -0.129 1 1 1212 . 9 1 1 A 125 125 ALA C C 125 167.800 180.253 -12.453 1 1 1213 . 9 1 1 A 125 125 ALA CA C 125 54.800 54.979 -0.179 1 1 1214 . 9 1 1 A 125 125 ALA CB C 125 18.700 18.096 0.604 1 1 1215 . 9 1 1 A 125 125 ALA N N 125 122.600 121.264 1.336 1 1 1216 . 9 1 1 A 126 126 ALA H H 126 8.900 8.379 0.521 1 1 1217 . 9 1 1 A 126 126 ALA HA H 126 4.110 4.069 0.041 1 1 1221 . 9 1 1 A 126 126 ALA C C 126 178.500 179.237 -0.737 1 1 1222 . 9 1 1 A 126 126 ALA CA C 126 55.300 54.918 0.382 1 1 1223 . 9 1 1 A 126 126 ALA CB C 126 18.100 18.701 -0.601 1 1 1224 . 9 1 1 A 126 126 ALA N N 126 124.600 120.261 4.339 1 1 1225 . 9 1 1 A 127 127 ALA H H 127 8.440 7.917 0.523 1 1 1226 . 9 1 1 A 127 127 ALA HA H 127 3.850 4.006 -0.156 1 1 1230 . 9 1 1 A 127 127 ALA C C 127 178.400 179.048 -0.648 1 1 1231 . 9 1 1 A 127 127 ALA CA C 127 55.500 55.193 0.307 1 1 1232 . 9 1 1 A 127 127 ALA CB C 127 18.500 18.377 0.123 1 1 1233 . 9 1 1 A 127 127 ALA N N 127 120.200 119.754 0.446 1 1 1234 . 9 1 1 A 128 128 ARG H H 128 7.790 7.801 -0.011 1 1 1235 . 9 1 1 A 128 128 ARG HA H 128 4.020 4.044 -0.024 1 1 1240 . 9 1 1 A 128 128 ARG C C 128 179.400 178.973 0.427 1 1 1241 . 9 1 1 A 128 128 ARG CA C 128 59.600 59.646 -0.046 1 1 1242 . 9 1 1 A 128 128 ARG CB C 128 30.800 29.747 1.053 1 1 1244 . 9 1 1 A 128 128 ARG N N 128 115.900 119.130 -3.230 1 1 1245 . 9 1 1 A 129 129 THR H H 129 8.440 8.181 0.259 1 1 1246 . 9 1 1 A 129 129 THR HA H 129 3.770 3.942 -0.172 1 1 1251 . 9 1 1 A 129 129 THR C C 129 175.300 176.113 -0.813 1 1 1252 . 9 1 1 A 129 129 THR CA C 129 67.300 66.308 0.992 1 1 1253 . 9 1 1 A 129 129 THR CB C 129 68.300 68.603 -0.303 1 1 1255 . 9 1 1 A 129 129 THR N N 129 116.400 114.955 1.445 1 1 1256 . 9 1 1 A 130 130 TYR H H 130 8.790 8.449 0.341 1 1 1257 . 9 1 1 A 130 130 TYR HA H 130 3.600 4.066 -0.466 1 1 1262 . 9 1 1 A 130 130 TYR C C 130 175.500 177.184 -1.684 1 1 1263 . 9 1 1 A 130 130 TYR CA C 130 62.600 62.087 0.513 1 1 1264 . 9 1 1 A 130 130 TYR CB C 130 37.500 38.559 -1.059 1 1 1265 . 9 1 1 A 130 130 TYR N N 130 123.500 122.557 0.943 1 1 1266 . 9 1 1 A 131 131 ASN H H 131 7.800 8.273 -0.473 1 1 1267 . 9 1 1 A 131 131 ASN HA H 131 4.220 4.127 0.093 1 1 1270 . 9 1 1 A 131 131 ASN C C 131 179.200 177.821 1.379 1 1 1271 . 9 1 1 A 131 131 ASN CA C 131 55.500 56.457 -0.957 1 1 1272 . 9 1 1 A 131 131 ASN CB C 131 37.100 39.308 -2.208 1 1 1273 . 9 1 1 A 131 131 ASN N N 131 117.700 117.645 0.055 1 1 1274 . 9 1 1 A 132 132 ILE H H 132 7.520 7.827 -0.307 1 1 1275 . 9 1 1 A 132 132 ILE HA H 132 3.710 3.586 0.124 1 1 1285 . 9 1 1 A 132 132 ILE C C 132 178.100 178.107 -0.007 1 1 1286 . 9 1 1 A 132 132 ILE CA C 132 64.900 65.577 -0.677 1 1 1287 . 9 1 1 A 132 132 ILE CB C 132 38.500 38.228 0.272 1 1 1291 . 9 1 1 A 132 132 ILE N N 132 121.000 119.458 1.542 1 1 1292 . 9 1 1 A 133 133 LEU H H 133 8.420 8.320 0.100 1 1 1293 . 9 1 1 A 133 133 LEU HA H 133 3.910 3.977 -0.067 1 1 1303 . 9 1 1 A 133 133 LEU C C 133 179.600 179.430 0.170 1 1 1304 . 9 1 1 A 133 133 LEU CA C 133 57.900 57.842 0.058 1 1 1305 . 9 1 1 A 133 133 LEU CB C 133 41.700 40.566 1.134 1 1 1309 . 9 1 1 A 133 133 LEU N N 133 120.500 118.194 2.306 1 1 1310 . 9 1 1 A 134 134 MET H H 134 8.990 8.321 0.669 1 1 1311 . 9 1 1 A 134 134 MET HA H 134 3.870 4.112 -0.242 1 1 1319 . 9 1 1 A 134 134 MET C C 134 167.400 177.915 -10.515 1 1 1320 . 9 1 1 A 134 134 MET CA C 134 58.400 58.281 0.119 1 1 1321 . 9 1 1 A 134 134 MET CB C 134 30.700 31.913 -1.213 1 1 1324 . 9 1 1 A 134 134 MET N N 134 119.900 118.517 1.383 1 1 1325 . 9 1 1 A 135 135 ALA H H 135 7.490 7.854 -0.364 1 1 1326 . 9 1 1 A 135 135 ALA HA H 135 4.060 4.007 0.053 1 1 1330 . 9 1 1 A 135 135 ALA C C 135 179.100 179.744 -0.644 1 1 1331 . 9 1 1 A 135 135 ALA CA C 135 54.700 55.214 -0.514 1 1 1332 . 9 1 1 A 135 135 ALA CB C 135 18.000 18.212 -0.212 1 1 1333 . 9 1 1 A 135 135 ALA N N 135 124.600 121.387 3.213 1 1 1334 . 9 1 1 A 136 136 GLU H H 136 7.540 8.031 -0.491 1 1 1335 . 9 1 1 A 136 136 GLU HA H 136 4.230 4.142 0.088 1 1 1340 . 9 1 1 A 136 136 GLU C C 136 176.900 177.190 -0.290 1 1 1341 . 9 1 1 A 136 136 GLU CA C 136 56.400 56.701 -0.301 1 1 1342 . 9 1 1 A 136 136 GLU CB C 136 30.300 29.682 0.618 1 1 1344 . 9 1 1 A 136 136 GLU N N 136 116.500 115.288 1.212 1 1 1345 . 9 1 1 A 137 137 GLY H H 137 7.870 7.803 0.067 1 1 1346 . 9 1 1 A 137 137 GLY HA2 H 137 3.760 3.900 -0.140 1 1 1347 . 9 1 1 A 137 137 GLY HA3 H 137 4.140 3.907 0.233 1 1 1348 . 9 1 1 A 137 137 GLY C C 137 175.100 174.170 0.930 1 1 1349 . 9 1 1 A 137 137 GLY CA C 137 45.600 45.709 -0.109 1 1 1350 . 9 1 1 A 137 137 GLY N N 137 107.100 108.201 -1.101 1 1 1351 . 9 1 1 A 138 138 ARG H H 138 7.580 7.787 -0.207 1 1 1352 . 9 1 1 A 138 138 ARG HA H 138 4.270 4.620 -0.350 1 1 1357 . 9 1 1 A 138 138 ARG C C 138 176.900 175.257 1.643 1 1 1358 . 9 1 1 A 138 138 ARG CA C 138 54.500 54.298 0.202 1 1 1359 . 9 1 1 A 138 138 ARG CB C 138 30.100 32.728 -2.628 1 1 1361 . 9 1 1 A 138 138 ARG N N 138 118.100 120.852 -2.752 1 1 1362 . 9 1 1 A 139 139 ARG H H 139 9.240 8.520 0.720 1 1 1363 . 9 1 1 A 139 139 ARG HA H 139 4.470 4.526 -0.056 1 1 1370 . 9 1 1 A 139 139 ARG C C 139 174.400 175.319 -0.919 1 1 1371 . 9 1 1 A 139 139 ARG CA C 139 55.700 56.167 -0.467 1 1 1372 . 9 1 1 A 139 139 ARG CB C 139 28.000 30.044 -2.044 1 1 1375 . 9 1 1 A 139 139 ARG N N 139 124.400 125.848 -1.448 1 1 1376 . 9 1 1 A 140 140 VAL H H 140 7.250 8.378 -1.128 1 1 1377 . 9 1 1 A 140 140 VAL HA H 140 5.180 5.431 -0.251 1 1 1385 . 9 1 1 A 140 140 VAL C C 140 172.800 174.022 -1.222 1 1 1386 . 9 1 1 A 140 140 VAL CA C 140 57.700 59.979 -2.279 1 1 1387 . 9 1 1 A 140 140 VAL CB C 140 34.700 35.027 -0.327 1 1 1390 . 9 1 1 A 140 140 VAL N N 140 121.900 123.511 -1.611 1 1 1391 . 9 1 1 A 141 141 VAL H H 141 8.180 9.011 -0.831 1 1 1392 . 9 1 1 A 141 141 VAL HA H 141 4.510 4.753 -0.243 1 1 1400 . 9 1 1 A 141 141 VAL C C 141 172.600 174.249 -1.649 1 1 1401 . 9 1 1 A 141 141 VAL CA C 141 60.300 60.870 -0.570 1 1 1402 . 9 1 1 A 141 141 VAL CB C 141 35.600 34.218 1.382 1 1 1405 . 9 1 1 A 141 141 VAL N N 141 123.900 128.020 -4.120 1 1 1406 . 9 1 1 A 142 142 VAL H H 142 8.430 8.568 -0.138 1 1 1407 . 9 1 1 A 142 142 VAL HA H 142 5.220 4.823 0.397 1 1 1415 . 9 1 1 A 142 142 VAL C C 142 170.000 172.844 -2.844 1 1 1416 . 9 1 1 A 142 142 VAL CA C 142 57.600 59.237 -1.637 1 1 1417 . 9 1 1 A 142 142 VAL CB C 142 35.500 34.570 0.930 1 1 1420 . 9 1 1 A 142 142 VAL N N 142 124.600 124.148 0.452 1 1 1421 . 9 1 1 A 143 143 ALA H H 143 8.220 8.797 -0.577 1 1 1422 . 9 1 1 A 143 143 ALA HA H 143 4.680 5.025 -0.345 1 1 1426 . 9 1 1 A 143 143 ALA C C 143 175.400 175.491 -0.091 1 1 1427 . 9 1 1 A 143 143 ALA CA C 143 49.900 49.747 0.153 1 1 1428 . 9 1 1 A 143 143 ALA CB C 143 19.600 20.768 -1.168 1 1 1429 . 9 1 1 A 143 143 ALA N N 143 129.100 130.501 -1.401 1 1 1430 . 9 1 1 A 144 144 LEU H H 144 9.070 9.273 -0.203 1 1 1431 . 9 1 1 A 144 144 LEU HA H 144 4.840 5.064 -0.224 1 1 1441 . 9 1 1 A 144 144 LEU CA C 144 53.400 53.361 0.039 1 1 1442 . 9 1 1 A 144 144 LEU CB C 144 46.500 43.919 2.581 1 1 1445 . 9 1 1 A 144 144 LEU N N 144 119.600 124.265 -4.665 1 1 1446 . 9 1 1 A 145 145 LEU HA H 145 4.830 4.924 -0.094 1 1 1456 . 9 1 1 A 145 145 LEU CA C 145 51.800 51.186 0.614 1 1 1457 . 9 1 1 A 145 145 LEU CB C 145 41.700 42.600 -0.900 1 1 1461 . 9 1 1 A 146 146 PRO HA H 146 4.330 4.576 -0.246 1 1 1466 . 9 1 1 A 146 146 PRO C C 146 175.700 175.901 -0.201 1 1 1467 . 9 1 1 A 146 146 PRO CA C 146 62.800 62.535 0.265 1 1 1468 . 9 1 1 A 146 146 PRO CB C 146 31.500 32.331 -0.831 1 1 1470 . 9 1 1 A 147 147 ASP H H 147 8.660 8.463 0.197 1 1 1471 . 9 1 1 A 147 147 ASP HA H 147 4.510 4.545 -0.035 1 1 1474 . 9 1 1 A 147 147 ASP C C 147 176.300 176.839 -0.539 1 1 1475 . 9 1 1 A 147 147 ASP CA C 147 54.300 55.307 -1.007 1 1 1476 . 9 1 1 A 147 147 ASP CB C 147 42.100 41.053 1.047 1 1 1477 . 9 1 1 A 147 147 ASP N N 147 120.700 122.016 -1.316 1 1 1478 . 9 1 1 A 148 148 GLY H H 148 8.310 8.514 -0.204 1 1 1479 . 9 1 1 A 148 148 GLY HA2 H 148 4.020 4.034 -0.014 1 1 1480 . 9 1 1 A 148 148 GLY HA3 H 148 4.050 4.046 0.004 1 1 1481 . 9 1 1 A 148 148 GLY C C 148 173.600 174.877 -1.277 1 1 1482 . 9 1 1 A 148 148 GLY CA C 148 45.200 45.464 -0.264 1 1 1483 . 9 1 1 A 148 148 GLY N N 148 109.400 113.175 -3.775 1 1 1484 . 9 1 1 A 149 149 ASP H H 149 8.550 8.206 0.344 1 1 1485 . 9 1 1 A 149 149 ASP HA H 149 4.650 4.275 0.375 1 1 1488 . 9 1 1 A 149 149 ASP C C 149 176.700 175.238 1.462 1 1 1489 . 9 1 1 A 149 149 ASP CA C 149 54.500 55.038 -0.538 1 1 1490 . 9 1 1 A 149 149 ASP CB C 149 41.600 39.052 2.548 1 1 1491 . 9 1 1 A 149 149 ASP N N 149 120.800 117.915 2.885 1 1 1492 . 9 1 1 A 150 150 SER H H 150 8.600 8.054 0.546 1 1 1493 . 9 1 1 A 150 150 SER HA H 150 4.350 4.811 -0.461 1 1 1496 . 9 1 1 A 150 150 SER C C 150 175.000 173.193 1.807 1 1 1497 . 9 1 1 A 150 150 SER CA C 150 58.900 57.753 1.147 1 1 1498 . 9 1 1 A 150 150 SER CB C 150 63.500 62.604 0.896 1 1 1499 . 9 1 1 A 150 150 SER N N 150 116.400 113.054 3.346 1 1 1500 . 9 1 1 A 151 151 LEU H H 151 8.290 8.905 -0.615 1 1 1501 . 9 1 1 A 151 151 LEU CA C 151 55.500 53.649 1.851 1 1 1502 . 9 1 1 A 151 151 LEU CB C 151 41.900 43.312 -1.412 1 1 5 . 10 1 1 A 4 4 HIS C C 4 174.800 175.827 -1.027 1 1 6 . 10 1 1 A 4 4 HIS CA C 4 55.900 58.653 -2.753 1 1 7 . 10 1 1 A 4 4 HIS CB C 4 30.000 30.531 -0.531 1 1 8 . 10 1 1 A 5 5 THR H H 5 7.990 8.002 -0.012 1 1 9 . 10 1 1 A 5 5 THR C C 5 173.800 173.903 -0.103 1 1 10 . 10 1 1 A 5 5 THR CA C 5 61.500 60.933 0.567 1 1 11 . 10 1 1 A 5 5 THR CB C 5 69.900 71.263 -1.363 1 1 12 . 10 1 1 A 5 5 THR N N 5 115.300 110.780 4.520 1 1 13 . 10 1 1 A 6 6 ASP H H 6 8.370 8.797 -0.427 1 1 14 . 10 1 1 A 6 6 ASP HA H 6 4.860 4.267 0.593 1 1 17 . 10 1 1 A 6 6 ASP CA C 6 52.500 54.600 -2.100 1 1 18 . 10 1 1 A 6 6 ASP CB C 6 41.100 39.355 1.745 1 1 19 . 10 1 1 A 6 6 ASP N N 6 124.400 121.568 2.832 1 1 20 . 10 1 1 A 7 7 PRO HA H 7 4.350 4.579 -0.229 1 1 26 . 10 1 1 A 7 7 PRO C C 7 176.900 176.538 0.362 1 1 27 . 10 1 1 A 7 7 PRO CA C 7 63.500 64.007 -0.507 1 1 28 . 10 1 1 A 7 7 PRO CB C 7 32.100 32.027 0.073 1 1 31 . 10 1 1 A 8 8 ALA H H 8 8.420 7.768 0.652 1 1 32 . 10 1 1 A 8 8 ALA HA H 8 4.260 4.253 0.007 1 1 36 . 10 1 1 A 8 8 ALA C C 8 178.100 176.957 1.143 1 1 37 . 10 1 1 A 8 8 ALA CA C 8 52.900 52.010 0.890 1 1 38 . 10 1 1 A 8 8 ALA CB C 8 19.200 19.612 -0.412 1 1 39 . 10 1 1 A 8 8 ALA N N 8 122.700 122.242 0.458 1 1 40 . 10 1 1 A 9 9 THR H H 9 7.880 8.503 -0.623 1 1 41 . 10 1 1 A 9 9 THR HA H 9 4.230 4.939 -0.709 1 1 46 . 10 1 1 A 9 9 THR C C 9 173.800 175.812 -2.012 1 1 47 . 10 1 1 A 9 9 THR CA C 9 61.700 60.351 1.349 1 1 48 . 10 1 1 A 9 9 THR CB C 9 69.700 71.290 -1.590 1 1 50 . 10 1 1 A 9 9 THR N N 9 112.900 117.012 -4.112 1 1 51 . 10 1 1 A 10 10 ALA H H 10 8.160 8.712 -0.552 1 1 52 . 10 1 1 A 10 10 ALA HA H 10 4.340 4.287 0.053 1 1 56 . 10 1 1 A 10 10 ALA C C 10 177.000 177.591 -0.591 1 1 57 . 10 1 1 A 10 10 ALA CA C 10 52.300 52.763 -0.463 1 1 58 . 10 1 1 A 10 10 ALA CB C 10 19.400 18.996 0.404 1 1 59 . 10 1 1 A 10 10 ALA N N 10 127.000 124.575 2.425 1 1 60 . 10 1 1 A 11 11 LEU H H 11 8.040 7.640 0.400 1 1 61 . 10 1 1 A 11 11 LEU HA H 11 4.640 4.512 0.128 1 1 70 . 10 1 1 A 11 11 LEU C C 11 178.300 175.661 2.639 1 1 71 . 10 1 1 A 11 11 LEU CA C 11 54.000 53.412 0.588 1 1 72 . 10 1 1 A 11 11 LEU CB C 11 42.900 43.635 -0.735 1 1 75 . 10 1 1 A 11 11 LEU N N 11 121.500 120.497 1.003 1 1 76 . 10 1 1 A 12 12 ASN H H 12 9.700 8.910 0.790 1 1 77 . 10 1 1 A 12 12 ASN HA H 12 4.760 5.393 -0.633 1 1 80 . 10 1 1 A 12 12 ASN C C 12 174.700 174.157 0.543 1 1 81 . 10 1 1 A 12 12 ASN CA C 12 54.100 51.874 2.226 1 1 82 . 10 1 1 A 12 12 ASN CB C 12 38.100 40.694 -2.594 1 1 83 . 10 1 1 A 12 12 ASN N N 12 121.500 122.785 -1.285 1 1 84 . 10 1 1 A 13 13 THR H H 13 8.710 9.115 -0.405 1 1 85 . 10 1 1 A 13 13 THR HA H 13 4.760 5.174 -0.414 1 1 90 . 10 1 1 A 13 13 THR C C 13 173.600 173.573 0.027 1 1 91 . 10 1 1 A 13 13 THR CA C 13 61.900 61.629 0.271 1 1 92 . 10 1 1 A 13 13 THR CB C 13 71.500 72.044 -0.544 1 1 94 . 10 1 1 A 13 13 THR N N 13 121.800 121.154 0.646 1 1 95 . 10 1 1 A 14 14 VAL H H 14 9.500 8.987 0.513 1 1 96 . 10 1 1 A 14 14 VAL HA H 14 4.660 4.135 0.525 1 1 104 . 10 1 1 A 14 14 VAL C C 14 177.000 176.505 0.495 1 1 105 . 10 1 1 A 14 14 VAL CA C 14 63.800 62.877 0.923 1 1 106 . 10 1 1 A 14 14 VAL CB C 14 30.600 32.327 -1.727 1 1 109 . 10 1 1 A 14 14 VAL N N 14 126.700 126.783 -0.083 1 1 110 . 10 1 1 A 15 15 THR H H 15 8.900 9.187 -0.287 1 1 111 . 10 1 1 A 15 15 THR HA H 15 4.300 4.586 -0.286 1 1 116 . 10 1 1 A 15 15 THR C C 15 174.900 174.966 -0.066 1 1 117 . 10 1 1 A 15 15 THR CA C 15 62.800 62.386 0.414 1 1 118 . 10 1 1 A 15 15 THR CB C 15 68.700 69.592 -0.892 1 1 120 . 10 1 1 A 15 15 THR N N 15 122.000 118.772 3.228 1 1 121 . 10 1 1 A 16 16 ALA H H 16 7.960 7.618 0.342 1 1 122 . 10 1 1 A 16 16 ALA HA H 16 4.360 4.788 -0.428 1 1 126 . 10 1 1 A 16 16 ALA C C 16 174.400 175.079 -0.679 1 1 127 . 10 1 1 A 16 16 ALA CA C 16 52.600 51.273 1.327 1 1 128 . 10 1 1 A 16 16 ALA CB C 16 21.900 21.497 0.403 1 1 129 . 10 1 1 A 16 16 ALA N N 16 120.900 121.849 -0.949 1 1 130 . 10 1 1 A 17 17 TYR H H 17 7.790 9.259 -1.469 1 1 131 . 10 1 1 A 17 17 TYR HA H 17 4.390 5.238 -0.848 1 1 136 . 10 1 1 A 17 17 TYR C C 17 173.000 174.298 -1.298 1 1 137 . 10 1 1 A 17 17 TYR CA C 17 56.400 56.147 0.253 1 1 138 . 10 1 1 A 17 17 TYR CB C 17 39.700 39.761 -0.061 1 1 141 . 10 1 1 A 17 17 TYR N N 17 114.800 126.261 -11.461 1 1 142 . 10 1 1 A 18 18 GLY H H 18 7.030 7.943 -0.913 1 1 143 . 10 1 1 A 18 18 GLY HA2 H 18 3.210 3.257 -0.047 1 1 144 . 10 1 1 A 18 18 GLY HA3 H 18 3.900 3.939 -0.039 1 1 145 . 10 1 1 A 18 18 GLY C C 18 172.200 171.313 0.887 1 1 146 . 10 1 1 A 18 18 GLY CA C 18 44.900 43.434 1.466 1 1 147 . 10 1 1 A 18 18 GLY N N 18 108.600 112.846 -4.246 1 1 148 . 10 1 1 A 19 19 ASP H H 19 8.410 8.286 0.124 1 1 149 . 10 1 1 A 19 19 ASP HA H 19 4.320 4.425 -0.105 1 1 152 . 10 1 1 A 19 19 ASP C C 19 176.500 176.475 0.025 1 1 153 . 10 1 1 A 19 19 ASP CA C 19 55.600 54.233 1.367 1 1 154 . 10 1 1 A 19 19 ASP CB C 19 39.500 40.755 -1.255 1 1 155 . 10 1 1 A 19 19 ASP N N 19 120.400 119.657 0.743 1 1 156 . 10 1 1 A 20 20 GLY H H 20 8.670 8.081 0.589 1 1 157 . 10 1 1 A 20 20 GLY HA2 H 20 3.670 3.958 -0.288 1 1 158 . 10 1 1 A 20 20 GLY HA3 H 20 4.210 4.016 0.194 1 1 159 . 10 1 1 A 20 20 GLY C C 20 173.900 173.321 0.579 1 1 160 . 10 1 1 A 20 20 GLY CA C 20 45.800 45.208 0.592 1 1 161 . 10 1 1 A 20 20 GLY N N 20 113.500 113.404 0.096 1 1 162 . 10 1 1 A 21 21 TYR H H 21 7.530 7.227 0.303 1 1 163 . 10 1 1 A 21 21 TYR HA H 21 5.480 5.260 0.220 1 1 168 . 10 1 1 A 21 21 TYR C C 21 172.800 173.679 -0.879 1 1 169 . 10 1 1 A 21 21 TYR CA C 21 56.700 55.678 1.022 1 1 170 . 10 1 1 A 21 21 TYR CB C 21 41.400 41.890 -0.490 1 1 173 . 10 1 1 A 21 21 TYR N N 21 114.300 116.514 -2.214 1 1 174 . 10 1 1 A 22 22 ILE H H 22 8.780 8.571 0.209 1 1 175 . 10 1 1 A 22 22 ILE HA H 22 4.350 4.892 -0.542 1 1 185 . 10 1 1 A 22 22 ILE C C 22 173.800 174.464 -0.664 1 1 186 . 10 1 1 A 22 22 ILE CA C 22 60.200 60.581 -0.381 1 1 187 . 10 1 1 A 22 22 ILE CB C 22 41.700 41.004 0.696 1 1 191 . 10 1 1 A 22 22 ILE N N 22 119.300 121.699 -2.399 1 1 192 . 10 1 1 A 23 23 GLU H H 23 9.010 9.643 -0.633 1 1 193 . 10 1 1 A 23 23 GLU HA H 23 5.680 5.336 0.344 1 1 198 . 10 1 1 A 23 23 GLU C C 23 175.000 174.987 0.013 1 1 199 . 10 1 1 A 23 23 GLU CA C 23 54.300 54.830 -0.530 1 1 200 . 10 1 1 A 23 23 GLU CB C 23 33.500 32.861 0.639 1 1 202 . 10 1 1 A 23 23 GLU N N 23 127.800 128.994 -1.194 1 1 203 . 10 1 1 A 24 24 VAL H H 24 8.980 9.132 -0.152 1 1 204 . 10 1 1 A 24 24 VAL HA H 24 4.840 4.429 0.411 1 1 212 . 10 1 1 A 24 24 VAL C C 24 177.300 175.871 1.429 1 1 213 . 10 1 1 A 24 24 VAL CA C 24 60.600 61.050 -0.450 1 1 214 . 10 1 1 A 24 24 VAL CB C 24 33.600 33.028 0.572 1 1 217 . 10 1 1 A 24 24 VAL N N 24 125.400 127.720 -2.320 1 1 218 . 10 1 1 A 25 25 ASN H H 25 9.340 8.873 0.467 1 1 219 . 10 1 1 A 25 25 ASN HA H 25 4.340 4.310 0.030 1 1 222 . 10 1 1 A 25 25 ASN C C 25 173.800 175.011 -1.211 1 1 223 . 10 1 1 A 25 25 ASN CA C 25 54.600 55.535 -0.935 1 1 224 . 10 1 1 A 25 25 ASN CB C 25 36.600 37.171 -0.571 1 1 225 . 10 1 1 A 25 25 ASN N N 25 127.800 123.705 4.095 1 1 226 . 10 1 1 A 26 26 GLN H H 26 7.920 8.353 -0.433 1 1 227 . 10 1 1 A 26 26 GLN HA H 26 3.670 4.500 -0.830 1 1 232 . 10 1 1 A 26 26 GLN C C 26 174.400 174.043 0.357 1 1 233 . 10 1 1 A 26 26 GLN CA C 26 58.100 55.423 2.677 1 1 234 . 10 1 1 A 26 26 GLN CB C 26 26.500 30.640 -4.140 1 1 236 . 10 1 1 A 26 26 GLN N N 26 104.100 117.638 -13.538 1 1 237 . 10 1 1 A 27 27 VAL H H 27 7.850 7.448 0.402 1 1 238 . 10 1 1 A 27 27 VAL HA H 27 3.900 4.337 -0.437 1 1 246 . 10 1 1 A 27 27 VAL C C 27 174.200 174.258 -0.058 1 1 247 . 10 1 1 A 27 27 VAL CA C 27 62.100 61.192 0.908 1 1 248 . 10 1 1 A 27 27 VAL CB C 27 32.500 33.607 -1.107 1 1 251 . 10 1 1 A 27 27 VAL N N 27 123.100 119.797 3.303 1 1 252 . 10 1 1 A 28 28 ARG H H 28 8.430 8.439 -0.009 1 1 253 . 10 1 1 A 28 28 ARG HA H 28 4.320 5.031 -0.711 1 1 256 . 10 1 1 A 28 28 ARG C C 28 175.200 175.192 0.008 1 1 257 . 10 1 1 A 28 28 ARG CA C 28 57.100 55.060 2.040 1 1 258 . 10 1 1 A 28 28 ARG CB C 28 31.300 31.189 0.111 1 1 259 . 10 1 1 A 28 28 ARG N N 28 126.200 126.157 0.043 1 1 260 . 10 1 1 A 29 29 PHE H H 29 9.290 9.421 -0.131 1 1 261 . 10 1 1 A 29 29 PHE HA H 29 4.580 4.771 -0.191 1 1 266 . 10 1 1 A 29 29 PHE C C 29 175.800 176.298 -0.498 1 1 267 . 10 1 1 A 29 29 PHE CA C 29 57.700 56.998 0.702 1 1 268 . 10 1 1 A 29 29 PHE CB C 29 42.000 40.634 1.366 1 1 271 . 10 1 1 A 29 29 PHE N N 29 123.900 122.789 1.111 1 1 272 . 10 1 1 A 30 30 SER H H 30 8.950 8.837 0.113 1 1 273 . 10 1 1 A 30 30 SER HA H 30 5.130 4.610 0.520 1 1 276 . 10 1 1 A 30 30 SER C C 30 172.900 173.498 -0.598 1 1 277 . 10 1 1 A 30 30 SER CA C 30 57.000 58.534 -1.534 1 1 278 . 10 1 1 A 30 30 SER CB C 30 63.200 63.391 -0.191 1 1 279 . 10 1 1 A 30 30 SER N N 30 119.400 116.304 3.096 1 1 280 . 10 1 1 A 31 31 HIS H H 31 7.170 7.309 -0.139 1 1 281 . 10 1 1 A 31 31 HIS HA H 31 4.840 5.105 -0.265 1 1 284 . 10 1 1 A 31 31 HIS C C 31 171.900 173.283 -1.383 1 1 285 . 10 1 1 A 31 31 HIS CA C 31 53.200 54.107 -0.907 1 1 286 . 10 1 1 A 31 31 HIS CB C 31 31.100 32.082 -0.982 1 1 287 . 10 1 1 A 31 31 HIS N N 31 114.600 117.016 -2.416 1 1 288 . 10 1 1 A 32 32 ALA H H 32 8.930 8.444 0.486 1 1 289 . 10 1 1 A 32 32 ALA HA H 32 5.050 4.633 0.417 1 1 293 . 10 1 1 A 32 32 ALA C C 32 179.000 177.804 1.196 1 1 294 . 10 1 1 A 32 32 ALA CA C 32 53.700 52.645 1.055 1 1 295 . 10 1 1 A 32 32 ALA CB C 32 20.700 19.607 1.093 1 1 296 . 10 1 1 A 32 32 ALA N N 32 120.200 122.622 -2.422 1 1 297 . 10 1 1 A 33 33 ILE H H 33 8.280 8.769 -0.489 1 1 298 . 10 1 1 A 33 33 ILE HA H 33 5.520 5.113 0.407 1 1 308 . 10 1 1 A 33 33 ILE C C 33 173.400 174.425 -1.025 1 1 309 . 10 1 1 A 33 33 ILE CA C 33 59.500 59.501 -0.001 1 1 310 . 10 1 1 A 33 33 ILE CB C 33 44.500 42.269 2.231 1 1 313 . 10 1 1 A 33 33 ILE N N 33 115.800 116.990 -1.190 1 1 314 . 10 1 1 A 34 34 ALA H H 34 8.900 9.207 -0.307 1 1 315 . 10 1 1 A 34 34 ALA HA H 34 5.290 5.484 -0.194 1 1 319 . 10 1 1 A 34 34 ALA C C 34 176.100 176.042 0.058 1 1 320 . 10 1 1 A 34 34 ALA CA C 34 51.100 50.489 0.611 1 1 321 . 10 1 1 A 34 34 ALA CB C 34 21.900 21.833 0.067 1 1 322 . 10 1 1 A 34 34 ALA N N 34 121.600 125.065 -3.465 1 1 323 . 10 1 1 A 35 35 PHE H H 35 8.580 8.452 0.128 1 1 324 . 10 1 1 A 35 35 PHE HA H 35 4.740 5.273 -0.533 1 1 330 . 10 1 1 A 35 35 PHE C C 35 170.000 172.722 -2.722 1 1 331 . 10 1 1 A 35 35 PHE CA C 35 57.100 55.592 1.508 1 1 332 . 10 1 1 A 35 35 PHE CB C 35 39.700 41.804 -2.104 1 1 336 . 10 1 1 A 35 35 PHE N N 35 116.600 117.575 -0.975 1 1 337 . 10 1 1 A 36 36 ALA H H 36 8.730 8.683 0.047 1 1 338 . 10 1 1 A 36 36 ALA HA H 36 5.170 4.893 0.277 1 1 342 . 10 1 1 A 36 36 ALA CA C 36 49.100 49.941 -0.841 1 1 343 . 10 1 1 A 36 36 ALA CB C 36 20.500 21.478 -0.978 1 1 344 . 10 1 1 A 36 36 ALA N N 36 123.400 121.103 2.297 1 1 345 . 10 1 1 A 37 37 PRO HA H 37 4.740 4.501 0.239 1 1 350 . 10 1 1 A 37 37 PRO C C 37 176.500 177.005 -0.505 1 1 351 . 10 1 1 A 37 37 PRO CA C 37 66.200 65.531 0.669 1 1 352 . 10 1 1 A 37 37 PRO CB C 37 33.600 31.765 1.835 1 1 354 . 10 1 1 A 38 38 GLU H H 38 7.450 8.011 -0.561 1 1 355 . 10 1 1 A 38 38 GLU HA H 38 4.790 4.580 0.210 1 1 360 . 10 1 1 A 38 38 GLU C C 38 177.300 175.290 2.010 1 1 361 . 10 1 1 A 38 38 GLU CA C 38 54.200 54.999 -0.799 1 1 362 . 10 1 1 A 38 38 GLU CB C 38 32.600 30.682 1.918 1 1 364 . 10 1 1 A 38 38 GLU N N 38 110.100 116.474 -6.374 1 1 365 . 10 1 1 A 39 39 GLY H H 39 8.600 8.316 0.284 1 1 366 . 10 1 1 A 39 39 GLY HA2 H 39 3.920 4.176 -0.256 1 1 367 . 10 1 1 A 39 39 GLY HA3 H 39 4.440 4.185 0.255 1 1 368 . 10 1 1 A 39 39 GLY CA C 39 44.400 45.178 -0.778 1 1 369 . 10 1 1 A 39 39 GLY N N 39 109.500 112.811 -3.311 1 1 370 . 10 1 1 A 40 40 PRO HA H 40 4.550 4.837 -0.287 1 1 375 . 10 1 1 A 40 40 PRO C C 40 177.100 176.449 0.651 1 1 376 . 10 1 1 A 40 40 PRO CA C 40 62.500 62.511 -0.011 1 1 377 . 10 1 1 A 40 40 PRO CB C 40 32.700 32.558 0.142 1 1 378 . 10 1 1 A 41 41 VAL H H 41 8.530 8.412 0.118 1 1 379 . 10 1 1 A 41 41 VAL HA H 41 3.900 4.331 -0.431 1 1 387 . 10 1 1 A 41 41 VAL C C 41 175.200 175.448 -0.248 1 1 388 . 10 1 1 A 41 41 VAL CA C 41 63.000 61.821 1.179 1 1 389 . 10 1 1 A 41 41 VAL CB C 41 31.100 31.035 0.065 1 1 392 . 10 1 1 A 41 41 VAL N N 41 123.000 121.881 1.119 1 1 393 . 10 1 1 A 42 42 ALA H H 42 8.320 9.171 -0.851 1 1 394 . 10 1 1 A 42 42 ALA HA H 42 4.750 5.092 -0.342 1 1 398 . 10 1 1 A 42 42 ALA C C 42 177.400 175.866 1.534 1 1 399 . 10 1 1 A 42 42 ALA CA C 42 50.800 50.000 0.800 1 1 400 . 10 1 1 A 42 42 ALA CB C 42 21.400 23.078 -1.678 1 1 401 . 10 1 1 A 42 42 ALA N N 42 131.300 130.613 0.687 1 1 402 . 10 1 1 A 43 43 SER H H 43 8.660 8.632 0.028 1 1 403 . 10 1 1 A 43 43 SER HA H 43 4.690 4.845 -0.155 1 1 406 . 10 1 1 A 43 43 SER CA C 43 59.000 58.724 0.276 1 1 407 . 10 1 1 A 43 43 SER CB C 43 62.800 64.130 -1.330 1 1 408 . 10 1 1 A 43 43 SER N N 43 115.400 117.512 -2.112 1 1 409 . 10 1 1 A 44 44 TRP HA H 44 5.470 5.269 0.201 1 1 418 . 10 1 1 A 44 44 TRP CA C 44 52.200 55.273 -3.073 1 1 419 . 10 1 1 A 44 44 TRP CB C 44 31.000 31.745 -0.745 1 1 426 . 10 1 1 A 45 45 PRO HA H 45 4.550 4.400 0.150 1 1 431 . 10 1 1 A 45 45 PRO C C 45 173.000 175.496 -2.496 1 1 432 . 10 1 1 A 45 45 PRO CA C 45 63.300 62.793 0.507 1 1 433 . 10 1 1 A 45 45 PRO CB C 45 27.800 29.346 -1.546 1 1 435 . 10 1 1 A 46 46 VAL H H 46 8.390 7.887 0.503 1 1 436 . 10 1 1 A 46 46 VAL HA H 46 3.770 4.115 -0.345 1 1 444 . 10 1 1 A 46 46 VAL C C 46 174.100 175.565 -1.465 1 1 445 . 10 1 1 A 46 46 VAL CA C 46 61.100 60.911 0.189 1 1 446 . 10 1 1 A 46 46 VAL CB C 46 35.200 33.086 2.114 1 1 449 . 10 1 1 A 46 46 VAL N N 46 124.300 121.075 3.225 1 1 450 . 10 1 1 A 47 47 GLN H H 47 8.970 8.918 0.052 1 1 451 . 10 1 1 A 47 47 GLN HA H 47 4.430 4.290 0.140 1 1 456 . 10 1 1 A 47 47 GLN C C 47 175.100 175.701 -0.601 1 1 457 . 10 1 1 A 47 47 GLN CA C 47 56.400 57.242 -0.842 1 1 458 . 10 1 1 A 47 47 GLN CB C 47 30.900 30.322 0.578 1 1 459 . 10 1 1 A 47 47 GLN N N 47 122.000 128.420 -6.420 1 1 460 . 10 1 1 A 48 48 ARG H H 48 7.720 7.511 0.209 1 1 461 . 10 1 1 A 48 48 ARG HA H 48 4.750 4.833 -0.083 1 1 468 . 10 1 1 A 48 48 ARG CA C 48 52.800 54.395 -1.595 1 1 469 . 10 1 1 A 48 48 ARG CB C 48 30.500 32.287 -1.787 1 1 471 . 10 1 1 A 48 48 ARG N N 48 116.600 115.100 1.500 1 1 472 . 10 1 1 A 49 49 PRO HA H 49 3.750 4.415 -0.665 1 1 477 . 10 1 1 A 49 49 PRO C C 49 177.500 176.612 0.888 1 1 478 . 10 1 1 A 49 49 PRO CA C 49 65.400 63.608 1.792 1 1 479 . 10 1 1 A 49 49 PRO CB C 49 30.700 31.333 -0.633 1 1 481 . 10 1 1 A 50 50 ALA H H 50 7.960 8.555 -0.595 1 1 482 . 10 1 1 A 50 50 ALA HA H 50 4.010 4.048 -0.038 1 1 486 . 10 1 1 A 50 50 ALA C C 50 177.300 177.672 -0.372 1 1 487 . 10 1 1 A 50 50 ALA CA C 50 53.800 53.752 0.048 1 1 488 . 10 1 1 A 50 50 ALA CB C 50 18.500 19.257 -0.757 1 1 489 . 10 1 1 A 50 50 ALA N N 50 117.200 123.183 -5.983 1 1 490 . 10 1 1 A 51 51 ASP H H 51 7.570 7.451 0.119 1 1 491 . 10 1 1 A 51 51 ASP HA H 51 4.410 4.664 -0.254 1 1 494 . 10 1 1 A 51 51 ASP C C 51 176.000 175.969 0.031 1 1 495 . 10 1 1 A 51 51 ASP CA C 51 54.200 53.826 0.374 1 1 496 . 10 1 1 A 51 51 ASP CB C 51 41.900 42.089 -0.189 1 1 497 . 10 1 1 A 51 51 ASP N N 51 114.800 115.487 -0.687 1 1 498 . 10 1 1 A 52 52 ILE H H 52 7.290 7.195 0.095 1 1 499 . 10 1 1 A 52 52 ILE HA H 52 3.100 3.832 -0.732 1 1 509 . 10 1 1 A 52 52 ILE C C 52 174.800 175.587 -0.787 1 1 510 . 10 1 1 A 52 52 ILE CA C 52 65.100 62.360 2.740 1 1 511 . 10 1 1 A 52 52 ILE CB C 52 37.100 37.779 -0.679 1 1 515 . 10 1 1 A 52 52 ILE N N 52 117.700 121.918 -4.218 1 1 516 . 10 1 1 A 53 53 THR H H 53 6.560 8.131 -1.571 1 1 517 . 10 1 1 A 53 53 THR HA H 53 4.720 4.969 -0.249 1 1 522 . 10 1 1 A 53 53 THR C C 53 174.600 175.581 -0.981 1 1 523 . 10 1 1 A 53 53 THR CA C 53 58.500 59.479 -0.979 1 1 524 . 10 1 1 A 53 53 THR CB C 53 72.900 72.360 0.540 1 1 526 . 10 1 1 A 53 53 THR N N 53 117.300 117.704 -0.404 1 1 527 . 10 1 1 A 54 54 ALA H H 54 9.340 9.101 0.239 1 1 528 . 10 1 1 A 54 54 ALA HA H 54 4.460 4.138 0.322 1 1 532 . 10 1 1 A 54 54 ALA C C 54 167.400 179.786 -12.386 1 1 533 . 10 1 1 A 54 54 ALA CA C 54 55.800 55.682 0.118 1 1 534 . 10 1 1 A 54 54 ALA CB C 54 18.200 18.087 0.113 1 1 535 . 10 1 1 A 54 54 ALA N N 54 123.800 124.772 -0.972 1 1 536 . 10 1 1 A 55 55 SER H H 55 8.530 8.192 0.338 1 1 537 . 10 1 1 A 55 55 SER HA H 55 4.280 4.343 -0.063 1 1 541 . 10 1 1 A 55 55 SER C C 55 177.700 176.158 1.542 1 1 542 . 10 1 1 A 55 55 SER CA C 55 61.600 62.247 -0.647 1 1 543 . 10 1 1 A 55 55 SER CB C 55 62.600 63.026 -0.426 1 1 544 . 10 1 1 A 55 55 SER N N 55 112.600 113.783 -1.183 1 1 545 . 10 1 1 A 56 56 LEU H H 56 7.810 8.360 -0.550 1 1 546 . 10 1 1 A 56 56 LEU HA H 56 4.280 4.186 0.094 1 1 556 . 10 1 1 A 56 56 LEU C C 56 168.100 179.920 -11.820 1 1 557 . 10 1 1 A 56 56 LEU CA C 56 57.900 57.859 0.041 1 1 558 . 10 1 1 A 56 56 LEU CB C 56 42.100 41.352 0.748 1 1 562 . 10 1 1 A 56 56 LEU N N 56 122.500 120.831 1.669 1 1 563 . 10 1 1 A 57 57 LEU H H 57 8.490 8.306 0.184 1 1 564 . 10 1 1 A 57 57 LEU HA H 57 4.180 4.032 0.148 1 1 574 . 10 1 1 A 57 57 LEU C C 57 178.000 179.226 -1.226 1 1 575 . 10 1 1 A 57 57 LEU CA C 57 58.300 58.168 0.132 1 1 576 . 10 1 1 A 57 57 LEU CB C 57 41.200 40.993 0.207 1 1 580 . 10 1 1 A 57 57 LEU N N 57 123.900 119.298 4.602 1 1 581 . 10 1 1 A 58 58 GLN H H 58 8.500 8.645 -0.145 1 1 582 . 10 1 1 A 58 58 GLN HA H 58 3.680 3.937 -0.257 1 1 589 . 10 1 1 A 58 58 GLN C C 58 178.200 178.805 -0.605 1 1 590 . 10 1 1 A 58 58 GLN CA C 58 60.200 59.299 0.901 1 1 591 . 10 1 1 A 58 58 GLN CB C 58 28.500 28.378 0.122 1 1 593 . 10 1 1 A 58 58 GLN N N 58 118.800 118.978 -0.178 1 1 595 . 10 1 1 A 59 59 GLN H H 59 8.300 7.747 0.553 1 1 596 . 10 1 1 A 59 59 GLN HA H 59 4.090 4.054 0.036 1 1 601 . 10 1 1 A 59 59 GLN C C 59 179.900 177.843 2.057 1 1 602 . 10 1 1 A 59 59 GLN CA C 59 58.900 58.819 0.081 1 1 603 . 10 1 1 A 59 59 GLN CB C 59 28.800 28.531 0.269 1 1 605 . 10 1 1 A 59 59 GLN N N 59 118.600 118.400 0.200 1 1 606 . 10 1 1 A 60 60 ALA H H 60 7.850 7.978 -0.128 1 1 607 . 10 1 1 A 60 60 ALA HA H 60 3.580 3.919 -0.339 1 1 611 . 10 1 1 A 60 60 ALA C C 60 176.700 179.589 -2.889 1 1 612 . 10 1 1 A 60 60 ALA CA C 60 54.700 53.245 1.455 1 1 613 . 10 1 1 A 60 60 ALA CB C 60 17.400 18.106 -0.706 1 1 614 . 10 1 1 A 60 60 ALA N N 60 122.500 121.801 0.699 1 1 615 . 10 1 1 A 61 61 ALA H H 61 7.540 7.522 0.018 1 1 616 . 10 1 1 A 61 61 ALA HA H 61 3.970 4.153 -0.183 1 1 620 . 10 1 1 A 61 61 ALA C C 61 176.300 178.032 -1.732 1 1 621 . 10 1 1 A 61 61 ALA CA C 61 52.400 52.370 0.030 1 1 622 . 10 1 1 A 61 61 ALA CB C 61 19.100 19.456 -0.356 1 1 623 . 10 1 1 A 61 61 ALA N N 61 113.700 118.175 -4.475 1 1 624 . 10 1 1 A 62 62 GLY H H 62 7.600 7.946 -0.346 1 1 625 . 10 1 1 A 62 62 GLY HA2 H 62 3.890 3.940 -0.050 1 1 626 . 10 1 1 A 62 62 GLY HA3 H 62 3.980 3.949 0.031 1 1 627 . 10 1 1 A 62 62 GLY C C 62 175.400 175.433 -0.033 1 1 628 . 10 1 1 A 62 62 GLY CA C 62 45.800 46.459 -0.659 1 1 629 . 10 1 1 A 62 62 GLY N N 62 104.800 106.928 -2.128 1 1 630 . 10 1 1 A 63 63 LEU H H 63 7.770 8.002 -0.232 1 1 631 . 10 1 1 A 63 63 LEU HA H 63 4.430 4.218 0.212 1 1 640 . 10 1 1 A 63 63 LEU C C 63 176.400 177.309 -0.909 1 1 641 . 10 1 1 A 63 63 LEU CA C 63 54.000 55.983 -1.983 1 1 642 . 10 1 1 A 63 63 LEU CB C 63 42.500 42.025 0.475 1 1 645 . 10 1 1 A 63 63 LEU N N 63 119.100 116.868 2.232 1 1 646 . 10 1 1 A 64 64 ALA H H 64 8.060 7.644 0.416 1 1 647 . 10 1 1 A 64 64 ALA HA H 64 4.160 4.544 -0.384 1 1 651 . 10 1 1 A 64 64 ALA C C 64 177.300 176.058 1.242 1 1 652 . 10 1 1 A 64 64 ALA CA C 64 52.700 50.818 1.882 1 1 653 . 10 1 1 A 64 64 ALA CB C 64 19.700 19.877 -0.177 1 1 654 . 10 1 1 A 64 64 ALA N N 64 122.900 121.592 1.308 1 1 655 . 10 1 1 A 65 65 GLU H H 65 8.260 8.992 -0.732 1 1 656 . 10 1 1 A 65 65 GLU C C 65 176.300 175.282 1.018 1 1 657 . 10 1 1 A 65 65 GLU CA C 65 56.400 55.685 0.715 1 1 658 . 10 1 1 A 65 65 GLU CB C 65 30.100 30.213 -0.113 1 1 659 . 10 1 1 A 65 65 GLU N N 65 118.900 125.291 -6.391 1 1 660 . 10 1 1 A 66 66 VAL H H 66 7.960 8.552 -0.592 1 1 661 . 10 1 1 A 66 66 VAL HA H 66 4.020 4.272 -0.252 1 1 663 . 10 1 1 A 66 66 VAL C C 66 175.900 176.011 -0.111 1 1 664 . 10 1 1 A 66 66 VAL CA C 66 62.300 62.926 -0.626 1 1 665 . 10 1 1 A 66 66 VAL CB C 66 32.800 31.730 1.070 1 1 666 . 10 1 1 A 66 66 VAL N N 66 121.500 127.767 -6.267 1 1 667 . 10 1 1 A 67 67 VAL H H 67 8.210 8.672 -0.462 1 1 668 . 10 1 1 A 67 67 VAL C C 67 175.800 176.117 -0.317 1 1 669 . 10 1 1 A 67 67 VAL CA C 67 62.200 60.148 2.052 1 1 670 . 10 1 1 A 67 67 VAL CB C 67 32.600 34.298 -1.698 1 1 671 . 10 1 1 A 67 67 VAL N N 67 124.900 126.678 -1.778 1 1 672 . 10 1 1 A 68 68 ARG H H 68 8.380 8.798 -0.418 1 1 673 . 10 1 1 A 68 68 ARG HA H 68 4.270 4.337 -0.067 1 1 674 . 10 1 1 A 68 68 ARG C C 68 175.400 175.669 -0.269 1 1 675 . 10 1 1 A 68 68 ARG CA C 68 55.700 56.404 -0.704 1 1 676 . 10 1 1 A 68 68 ARG CB C 68 31.100 30.970 0.130 1 1 677 . 10 1 1 A 68 68 ARG N N 68 125.900 123.220 2.680 1 1 678 . 10 1 1 A 69 69 ASP H H 69 8.390 8.150 0.240 1 1 679 . 10 1 1 A 69 69 ASP HA H 69 4.800 4.312 0.488 1 1 682 . 10 1 1 A 69 69 ASP CA C 69 51.700 54.854 -3.154 1 1 683 . 10 1 1 A 69 69 ASP CB C 69 41.700 39.280 2.420 1 1 684 . 10 1 1 A 69 69 ASP N N 69 123.600 119.549 4.051 1 1 685 . 10 1 1 A 70 70 PRO HA H 70 4.290 4.484 -0.194 1 1 688 . 10 1 1 A 70 70 PRO C C 70 177.500 176.382 1.118 1 1 689 . 10 1 1 A 70 70 PRO CA C 70 64.100 61.797 2.303 1 1 690 . 10 1 1 A 70 70 PRO CB C 70 32.300 32.559 -0.259 1 1 691 . 10 1 1 A 71 71 LEU H H 71 8.280 8.607 -0.327 1 1 692 . 10 1 1 A 71 71 LEU HA H 71 4.260 3.944 0.316 1 1 698 . 10 1 1 A 71 71 LEU C C 71 177.600 177.470 0.130 1 1 699 . 10 1 1 A 71 71 LEU CA C 71 55.100 57.197 -2.097 1 1 700 . 10 1 1 A 71 71 LEU CB C 71 41.200 42.253 -1.053 1 1 702 . 10 1 1 A 71 71 LEU N N 71 118.400 120.399 -1.999 1 1 703 . 10 1 1 A 72 72 ALA H H 72 7.660 7.376 0.284 1 1 704 . 10 1 1 A 72 72 ALA HA H 72 4.170 4.376 -0.206 1 1 708 . 10 1 1 A 72 72 ALA C C 72 177.400 176.200 1.200 1 1 709 . 10 1 1 A 72 72 ALA CA C 72 52.600 51.102 1.498 1 1 710 . 10 1 1 A 72 72 ALA CB C 72 19.200 18.183 1.017 1 1 711 . 10 1 1 A 72 72 ALA N N 72 122.900 120.527 2.373 1 1 712 . 10 1 1 A 73 73 PHE H H 73 7.940 8.501 -0.561 1 1 713 . 10 1 1 A 73 73 PHE HA H 73 4.510 4.638 -0.128 1 1 717 . 10 1 1 A 73 73 PHE C C 73 175.600 175.540 0.060 1 1 718 . 10 1 1 A 73 73 PHE CA C 73 57.800 58.559 -0.759 1 1 719 . 10 1 1 A 73 73 PHE CB C 73 39.100 38.986 0.114 1 1 720 . 10 1 1 A 73 73 PHE N N 73 118.200 123.748 -5.548 1 1 721 . 10 1 1 A 74 74 LEU H H 74 7.890 9.083 -1.193 1 1 722 . 10 1 1 A 74 74 LEU CA C 74 55.200 53.480 1.720 1 1 723 . 10 1 1 A 74 74 LEU CB C 74 42.400 43.875 -1.475 1 1 724 . 10 1 1 A 74 74 LEU N N 74 122.600 124.408 -1.808 1 1 725 . 10 1 1 A 78 78 GLU C C 78 176.600 175.421 1.179 1 1 726 . 10 1 1 A 78 78 GLU CA C 78 57.500 56.142 1.358 1 1 727 . 10 1 1 A 78 78 GLU CB C 78 30.100 30.131 -0.031 1 1 728 . 10 1 1 A 79 79 ALA H H 79 8.460 8.769 -0.309 1 1 729 . 10 1 1 A 79 79 ALA C C 79 178.300 178.575 -0.275 1 1 730 . 10 1 1 A 79 79 ALA CA C 79 52.900 51.704 1.196 1 1 731 . 10 1 1 A 79 79 ALA CB C 79 19.200 19.944 -0.744 1 1 732 . 10 1 1 A 79 79 ALA N N 79 124.700 128.866 -4.166 1 1 733 . 10 1 1 A 80 80 GLY H H 80 8.330 8.681 -0.351 1 1 734 . 10 1 1 A 80 80 GLY C C 80 174.100 175.318 -1.218 1 1 735 . 10 1 1 A 80 80 GLY CA C 80 45.100 46.294 -1.194 1 1 736 . 10 1 1 A 80 80 GLY N N 80 108.200 108.163 0.037 1 1 737 . 10 1 1 A 81 81 ALA H H 81 8.140 7.609 0.531 1 1 738 . 10 1 1 A 81 81 ALA HA H 81 4.170 4.293 -0.123 1 1 739 . 10 1 1 A 81 81 ALA C C 81 178.400 178.263 0.137 1 1 740 . 10 1 1 A 81 81 ALA CA C 81 52.800 52.582 0.218 1 1 741 . 10 1 1 A 81 81 ALA CB C 81 19.200 19.426 -0.226 1 1 742 . 10 1 1 A 81 81 ALA N N 81 123.600 122.218 1.382 1 1 743 . 10 1 1 A 82 82 GLY H H 82 8.400 7.871 0.529 1 1 744 . 10 1 1 A 82 82 GLY HA2 H 82 3.860 3.958 -0.098 1 1 745 . 10 1 1 A 82 82 GLY HA3 H 82 2.880 3.959 -1.079 1 1 746 . 10 1 1 A 82 82 GLY C C 82 173.600 174.800 -1.200 1 1 747 . 10 1 1 A 82 82 GLY CA C 82 45.200 45.503 -0.303 1 1 748 . 10 1 1 A 82 82 GLY N N 82 108.000 106.096 1.904 1 1 749 . 10 1 1 A 83 83 ALA H H 83 7.980 8.160 -0.180 1 1 750 . 10 1 1 A 83 83 ALA HA H 83 4.280 3.911 0.369 1 1 754 . 10 1 1 A 83 83 ALA C C 83 177.200 176.679 0.521 1 1 755 . 10 1 1 A 83 83 ALA CA C 83 52.100 54.835 -2.735 1 1 756 . 10 1 1 A 83 83 ALA CB C 83 19.500 17.883 1.617 1 1 757 . 10 1 1 A 83 83 ALA N N 83 123.300 119.145 4.155 1 1 758 . 10 1 1 A 84 84 ARG H H 84 8.240 8.079 0.161 1 1 759 . 10 1 1 A 84 84 ARG HA H 84 4.610 4.801 -0.191 1 1 762 . 10 1 1 A 84 84 ARG CA C 84 54.000 53.611 0.389 1 1 763 . 10 1 1 A 84 84 ARG CB C 84 30.500 32.260 -1.760 1 1 764 . 10 1 1 A 84 84 ARG N N 84 121.700 113.801 7.899 1 1 765 . 10 1 1 A 85 85 PRO HA H 85 4.390 4.485 -0.095 1 1 770 . 10 1 1 A 85 85 PRO C C 85 177.000 176.999 0.001 1 1 771 . 10 1 1 A 85 85 PRO CA C 85 62.900 63.202 -0.302 1 1 772 . 10 1 1 A 85 85 PRO CB C 85 32.200 31.726 0.474 1 1 773 . 10 1 1 A 86 86 ALA H H 86 8.600 8.738 -0.138 1 1 774 . 10 1 1 A 86 86 ALA HA H 86 4.150 3.917 0.233 1 1 778 . 10 1 1 A 86 86 ALA C C 86 177.800 177.326 0.474 1 1 779 . 10 1 1 A 86 86 ALA CA C 86 53.400 52.708 0.692 1 1 780 . 10 1 1 A 86 86 ALA CB C 86 18.900 17.493 1.407 1 1 781 . 10 1 1 A 86 86 ALA N N 86 124.900 121.374 3.526 1 1 782 . 10 1 1 A 87 87 ASN H H 87 8.380 8.086 0.294 1 1 783 . 10 1 1 A 87 87 ASN HA H 87 4.590 4.551 0.039 1 1 786 . 10 1 1 A 87 87 ASN C C 87 174.400 176.496 -2.096 1 1 787 . 10 1 1 A 87 87 ASN CA C 87 52.600 55.987 -3.387 1 1 788 . 10 1 1 A 87 87 ASN CB C 87 38.300 38.481 -0.181 1 1 789 . 10 1 1 A 87 87 ASN N N 87 114.900 120.952 -6.052 1 1 790 . 10 1 1 A 88 88 ALA H H 88 7.800 7.700 0.100 1 1 791 . 10 1 1 A 88 88 ALA HA H 88 4.400 4.428 -0.028 1 1 795 . 10 1 1 A 88 88 ALA CA C 88 50.400 50.593 -0.193 1 1 796 . 10 1 1 A 88 88 ALA CB C 88 17.900 19.296 -1.396 1 1 797 . 10 1 1 A 88 88 ALA N N 88 123.600 122.420 1.180 1 1 798 . 10 1 1 A 89 89 PRO HA H 89 4.390 4.582 -0.192 1 1 805 . 10 1 1 A 89 89 PRO C C 89 175.000 177.229 -2.229 1 1 806 . 10 1 1 A 89 89 PRO CA C 89 62.400 62.662 -0.262 1 1 807 . 10 1 1 A 89 89 PRO CB C 89 31.700 32.667 -0.967 1 1 810 . 10 1 1 A 90 90 GLU H H 90 9.000 8.573 0.427 1 1 811 . 10 1 1 A 90 90 GLU HA H 90 4.310 4.241 0.069 1 1 814 . 10 1 1 A 90 90 GLU C C 90 177.300 175.884 1.416 1 1 815 . 10 1 1 A 90 90 GLU CA C 90 58.000 59.376 -1.376 1 1 816 . 10 1 1 A 90 90 GLU CB C 90 31.400 30.601 0.799 1 1 817 . 10 1 1 A 90 90 GLU N N 90 117.700 120.583 -2.883 1 1 818 . 10 1 1 A 91 91 VAL H H 91 7.310 7.448 -0.138 1 1 819 . 10 1 1 A 91 91 VAL HA H 91 4.570 4.962 -0.392 1 1 827 . 10 1 1 A 91 91 VAL C C 91 171.000 173.219 -2.219 1 1 828 . 10 1 1 A 91 91 VAL CA C 91 59.700 59.803 -0.103 1 1 829 . 10 1 1 A 91 91 VAL CB C 91 35.600 35.706 -0.106 1 1 832 . 10 1 1 A 91 91 VAL N N 91 115.900 117.707 -1.807 1 1 833 . 10 1 1 A 92 92 LEU H H 92 8.700 9.450 -0.750 1 1 834 . 10 1 1 A 92 92 LEU HA H 92 4.950 5.355 -0.405 1 1 844 . 10 1 1 A 92 92 LEU C C 92 174.300 174.462 -0.162 1 1 845 . 10 1 1 A 92 92 LEU CA C 92 52.700 53.296 -0.596 1 1 846 . 10 1 1 A 92 92 LEU CB C 92 44.100 45.433 -1.333 1 1 850 . 10 1 1 A 92 92 LEU N N 92 128.500 129.226 -0.726 1 1 851 . 10 1 1 A 93 93 LEU H H 93 8.770 9.533 -0.763 1 1 852 . 10 1 1 A 93 93 LEU HA H 93 4.910 5.109 -0.199 1 1 862 . 10 1 1 A 93 93 LEU C C 93 174.900 175.247 -0.347 1 1 863 . 10 1 1 A 93 93 LEU CA C 93 52.600 53.001 -0.401 1 1 864 . 10 1 1 A 93 93 LEU CB C 93 44.300 42.591 1.709 1 1 868 . 10 1 1 A 93 93 LEU N N 93 127.300 128.379 -1.079 1 1 869 . 10 1 1 A 94 94 VAL H H 94 8.800 9.141 -0.341 1 1 870 . 10 1 1 A 94 94 VAL HA H 94 4.880 4.487 0.393 1 1 878 . 10 1 1 A 94 94 VAL C C 94 175.000 175.373 -0.373 1 1 879 . 10 1 1 A 94 94 VAL CA C 94 60.000 60.947 -0.947 1 1 880 . 10 1 1 A 94 94 VAL CB C 94 33.900 32.802 1.098 1 1 883 . 10 1 1 A 94 94 VAL N N 94 122.000 126.031 -4.031 1 1 884 . 10 1 1 A 95 95 GLY H H 95 9.730 9.328 0.402 1 1 885 . 10 1 1 A 95 95 GLY HA2 H 95 3.240 3.969 -0.729 1 1 886 . 10 1 1 A 95 95 GLY HA3 H 95 4.940 3.981 0.959 1 1 887 . 10 1 1 A 95 95 GLY C C 95 175.000 174.982 0.018 1 1 888 . 10 1 1 A 95 95 GLY CA C 95 45.500 46.569 -1.069 1 1 889 . 10 1 1 A 95 95 GLY N N 95 114.000 115.432 -1.432 1 1 890 . 10 1 1 A 96 96 THR H H 96 9.320 8.737 0.583 1 1 891 . 10 1 1 A 96 96 THR HA H 96 4.210 4.721 -0.511 1 1 896 . 10 1 1 A 96 96 THR C C 96 173.000 175.728 -2.728 1 1 897 . 10 1 1 A 96 96 THR CA C 96 61.800 61.034 0.766 1 1 898 . 10 1 1 A 96 96 THR CB C 96 67.600 68.767 -1.167 1 1 900 . 10 1 1 A 96 96 THR N N 96 113.800 114.815 -1.015 1 1 901 . 10 1 1 A 97 97 GLY H H 97 8.600 8.346 0.254 1 1 902 . 10 1 1 A 97 97 GLY HA2 H 97 3.580 3.898 -0.318 1 1 903 . 10 1 1 A 97 97 GLY HA3 H 97 4.500 3.910 0.590 1 1 904 . 10 1 1 A 97 97 GLY C C 97 174.800 175.241 -0.441 1 1 905 . 10 1 1 A 97 97 GLY CA C 97 44.000 46.667 -2.667 1 1 906 . 10 1 1 A 97 97 GLY N N 97 110.900 110.443 0.457 1 1 907 . 10 1 1 A 98 98 ARG H H 98 9.400 7.780 1.620 1 1 908 . 10 1 1 A 98 98 ARG HA H 98 4.110 4.217 -0.107 1 1 911 . 10 1 1 A 98 98 ARG C C 98 175.700 176.158 -0.458 1 1 912 . 10 1 1 A 98 98 ARG CA C 98 58.800 58.002 0.798 1 1 913 . 10 1 1 A 98 98 ARG CB C 98 30.700 31.077 -0.377 1 1 914 . 10 1 1 A 98 98 ARG N N 98 125.500 120.932 4.568 1 1 915 . 10 1 1 A 99 99 ARG H H 99 8.180 7.351 0.829 1 1 916 . 10 1 1 A 99 99 ARG HA H 99 4.640 4.557 0.083 1 1 919 . 10 1 1 A 99 99 ARG C C 99 175.000 174.469 0.531 1 1 920 . 10 1 1 A 99 99 ARG CA C 99 53.100 55.719 -2.619 1 1 921 . 10 1 1 A 99 99 ARG CB C 99 33.200 31.611 1.589 1 1 922 . 10 1 1 A 99 99 ARG N N 99 114.300 118.995 -4.695 1 1 923 . 10 1 1 A 100 100 GLN H H 100 8.710 8.601 0.109 1 1 924 . 10 1 1 A 100 100 GLN HA H 100 3.620 4.460 -0.840 1 1 929 . 10 1 1 A 100 100 GLN C C 100 173.900 175.178 -1.278 1 1 930 . 10 1 1 A 100 100 GLN CA C 100 56.400 55.934 0.466 1 1 931 . 10 1 1 A 100 100 GLN CB C 100 29.600 29.182 0.418 1 1 933 . 10 1 1 A 100 100 GLN N N 100 121.700 125.649 -3.949 1 1 934 . 10 1 1 A 101 101 HIS H H 101 7.900 8.928 -1.028 1 1 935 . 10 1 1 A 101 101 HIS HA H 101 4.530 5.255 -0.725 1 1 939 . 10 1 1 A 101 101 HIS C C 101 173.100 174.122 -1.022 1 1 940 . 10 1 1 A 101 101 HIS CA C 101 55.100 53.881 1.219 1 1 941 . 10 1 1 A 101 101 HIS CB C 101 32.100 31.445 0.655 1 1 942 . 10 1 1 A 101 101 HIS N N 101 130.600 125.688 4.912 1 1 943 . 10 1 1 A 102 102 LEU H H 102 8.080 8.492 -0.412 1 1 944 . 10 1 1 A 102 102 LEU HA H 102 4.060 4.109 -0.049 1 1 948 . 10 1 1 A 102 102 LEU C C 102 177.200 176.815 0.385 1 1 949 . 10 1 1 A 102 102 LEU CA C 102 54.900 55.589 -0.689 1 1 950 . 10 1 1 A 102 102 LEU CB C 102 41.600 41.429 0.171 1 1 951 . 10 1 1 A 102 102 LEU N N 102 121.400 128.467 -7.067 1 1 952 . 10 1 1 A 103 103 LEU H H 103 8.260 8.551 -0.291 1 1 953 . 10 1 1 A 103 103 LEU HA H 103 4.490 4.636 -0.146 1 1 963 . 10 1 1 A 103 103 LEU C C 103 177.100 177.062 0.038 1 1 964 . 10 1 1 A 103 103 LEU CA C 103 53.400 54.951 -1.551 1 1 965 . 10 1 1 A 103 103 LEU CB C 103 42.600 42.079 0.521 1 1 969 . 10 1 1 A 103 103 LEU N N 103 123.000 126.330 -3.330 1 1 970 . 10 1 1 A 104 104 GLY H H 104 8.820 8.917 -0.097 1 1 971 . 10 1 1 A 104 104 GLY HA2 H 104 3.930 4.157 -0.227 1 1 972 . 10 1 1 A 104 104 GLY HA3 H 104 4.440 4.159 0.281 1 1 973 . 10 1 1 A 104 104 GLY CA C 104 44.500 43.605 0.895 1 1 974 . 10 1 1 A 104 104 GLY N N 104 110.200 110.986 -0.786 1 1 975 . 10 1 1 A 105 105 PRO HA H 105 4.230 4.265 -0.035 1 1 978 . 10 1 1 A 105 105 PRO C C 105 178.900 178.486 0.414 1 1 979 . 10 1 1 A 105 105 PRO CA C 105 65.200 65.351 -0.151 1 1 980 . 10 1 1 A 105 105 PRO CB C 105 31.900 31.741 0.159 1 1 981 . 10 1 1 A 106 106 GLU H H 106 9.150 8.626 0.524 1 1 982 . 10 1 1 A 106 106 GLU HA H 106 4.080 3.994 0.086 1 1 987 . 10 1 1 A 106 106 GLU C C 106 178.500 179.310 -0.810 1 1 988 . 10 1 1 A 106 106 GLU CA C 106 58.600 59.220 -0.620 1 1 989 . 10 1 1 A 106 106 GLU CB C 106 28.500 28.959 -0.459 1 1 991 . 10 1 1 A 106 106 GLU N N 106 115.400 116.425 -1.025 1 1 992 . 10 1 1 A 107 107 GLN H H 107 7.680 7.636 0.044 1 1 993 . 10 1 1 A 107 107 GLN HA H 107 4.160 4.196 -0.036 1 1 998 . 10 1 1 A 107 107 GLN C C 107 175.200 177.823 -2.623 1 1 999 . 10 1 1 A 107 107 GLN CA C 107 58.500 58.361 0.139 1 1 1000 . 10 1 1 A 107 107 GLN CB C 107 29.400 29.166 0.234 1 1 1002 . 10 1 1 A 107 107 GLN N N 107 116.100 118.907 -2.807 1 1 1003 . 10 1 1 A 108 108 VAL H H 108 7.080 7.389 -0.309 1 1 1004 . 10 1 1 A 108 108 VAL HA H 108 4.270 4.306 -0.036 1 1 1012 . 10 1 1 A 108 108 VAL C C 108 177.500 177.308 0.192 1 1 1013 . 10 1 1 A 108 108 VAL CA C 108 62.000 61.236 0.764 1 1 1014 . 10 1 1 A 108 108 VAL CB C 108 33.000 31.884 1.116 1 1 1017 . 10 1 1 A 108 108 VAL N N 108 104.800 114.588 -9.788 1 1 1018 . 10 1 1 A 109 109 ARG H H 109 8.220 7.573 0.647 1 1 1019 . 10 1 1 A 109 109 ARG HA H 109 4.060 4.096 -0.036 1 1 1024 . 10 1 1 A 109 109 ARG CA C 109 61.700 61.171 0.529 1 1 1025 . 10 1 1 A 109 109 ARG CB C 109 27.600 28.034 -0.434 1 1 1027 . 10 1 1 A 109 109 ARG N N 109 123.100 122.802 0.298 1 1 1028 . 10 1 1 A 110 110 PRO HA H 110 4.290 4.358 -0.068 1 1 1035 . 10 1 1 A 110 110 PRO C C 110 173.000 178.759 -5.759 1 1 1036 . 10 1 1 A 110 110 PRO CA C 110 65.800 65.598 0.202 1 1 1037 . 10 1 1 A 110 110 PRO CB C 110 31.400 30.799 0.601 1 1 1040 . 10 1 1 A 111 111 LEU H H 111 7.080 7.409 -0.329 1 1 1041 . 10 1 1 A 111 111 LEU HA H 111 4.050 4.115 -0.065 1 1 1051 . 10 1 1 A 111 111 LEU C C 111 178.800 179.028 -0.228 1 1 1052 . 10 1 1 A 111 111 LEU CA C 111 57.400 57.406 -0.006 1 1 1053 . 10 1 1 A 111 111 LEU CB C 111 40.100 41.622 -1.522 1 1 1056 . 10 1 1 A 111 111 LEU N N 111 117.700 117.256 0.444 1 1 1057 . 10 1 1 A 112 112 LEU H H 112 7.950 8.357 -0.407 1 1 1058 . 10 1 1 A 112 112 LEU HA H 112 4.050 4.007 0.043 1 1 1068 . 10 1 1 A 112 112 LEU C C 112 169.000 178.554 -9.554 1 1 1069 . 10 1 1 A 112 112 LEU CA C 112 58.000 57.795 0.205 1 1 1070 . 10 1 1 A 112 112 LEU CB C 112 41.100 40.296 0.804 1 1 1074 . 10 1 1 A 112 112 LEU N N 112 121.700 119.774 1.926 1 1 1075 . 10 1 1 A 113 113 ALA H H 113 8.230 7.957 0.273 1 1 1076 . 10 1 1 A 113 113 ALA HA H 113 4.110 4.195 -0.085 1 1 1080 . 10 1 1 A 113 113 ALA C C 113 178.700 178.120 0.580 1 1 1081 . 10 1 1 A 113 113 ALA CA C 113 54.400 54.027 0.373 1 1 1082 . 10 1 1 A 113 113 ALA CB C 113 18.100 18.307 -0.207 1 1 1083 . 10 1 1 A 113 113 ALA N N 113 120.900 122.083 -1.183 1 1 1084 . 10 1 1 A 114 114 MET H H 114 7.270 7.581 -0.311 1 1 1085 . 10 1 1 A 114 114 MET HA H 114 4.490 4.494 -0.004 1 1 1093 . 10 1 1 A 114 114 MET C C 114 175.100 176.648 -1.548 1 1 1094 . 10 1 1 A 114 114 MET CA C 114 55.100 55.934 -0.834 1 1 1095 . 10 1 1 A 114 114 MET CB C 114 33.700 33.674 0.026 1 1 1098 . 10 1 1 A 114 114 MET N N 114 115.100 115.343 -0.243 1 1 1099 . 10 1 1 A 115 115 GLY H H 115 7.830 7.954 -0.124 1 1 1100 . 10 1 1 A 115 115 GLY HA2 H 115 3.660 4.010 -0.350 1 1 1101 . 10 1 1 A 115 115 GLY HA3 H 115 4.060 4.010 0.050 1 1 1102 . 10 1 1 A 115 115 GLY C C 115 173.700 174.263 -0.563 1 1 1103 . 10 1 1 A 115 115 GLY CA C 115 45.600 45.051 0.549 1 1 1104 . 10 1 1 A 115 115 GLY N N 115 106.300 106.556 -0.256 1 1 1105 . 10 1 1 A 116 116 VAL H H 116 7.710 7.881 -0.171 1 1 1106 . 10 1 1 A 116 116 VAL HA H 116 3.820 4.042 -0.222 1 1 1114 . 10 1 1 A 116 116 VAL C C 116 174.800 175.396 -0.596 1 1 1115 . 10 1 1 A 116 116 VAL CA C 116 61.200 62.398 -1.198 1 1 1116 . 10 1 1 A 116 116 VAL CB C 116 32.800 32.411 0.389 1 1 1119 . 10 1 1 A 116 116 VAL N N 116 123.600 122.153 1.447 1 1 1120 . 10 1 1 A 117 117 GLY H H 117 7.730 9.152 -1.422 1 1 1121 . 10 1 1 A 117 117 GLY HA2 H 117 3.570 4.029 -0.459 1 1 1122 . 10 1 1 A 117 117 GLY HA3 H 117 4.040 4.031 0.009 1 1 1123 . 10 1 1 A 117 117 GLY C C 117 172.600 173.915 -1.315 1 1 1124 . 10 1 1 A 117 117 GLY CA C 117 45.500 44.999 0.501 1 1 1125 . 10 1 1 A 117 117 GLY N N 117 111.400 114.907 -3.507 1 1 1126 . 10 1 1 A 118 118 VAL H H 118 7.740 9.233 -1.493 1 1 1127 . 10 1 1 A 118 118 VAL HA H 118 5.100 4.772 0.328 1 1 1135 . 10 1 1 A 118 118 VAL C C 118 175.500 175.233 0.267 1 1 1136 . 10 1 1 A 118 118 VAL CA C 118 61.000 61.823 -0.823 1 1 1137 . 10 1 1 A 118 118 VAL CB C 118 34.300 32.781 1.519 1 1 1140 . 10 1 1 A 118 118 VAL N N 118 120.900 126.092 -5.192 1 1 1141 . 10 1 1 A 119 119 GLU H H 119 8.490 9.280 -0.790 1 1 1142 . 10 1 1 A 119 119 GLU HA H 119 4.630 4.875 -0.245 1 1 1147 . 10 1 1 A 119 119 GLU C C 119 173.500 175.223 -1.723 1 1 1148 . 10 1 1 A 119 119 GLU CA C 119 54.600 54.900 -0.300 1 1 1149 . 10 1 1 A 119 119 GLU CB C 119 32.300 31.683 0.617 1 1 1151 . 10 1 1 A 119 119 GLU N N 119 127.000 127.658 -0.658 1 1 1152 . 10 1 1 A 120 120 ALA H H 120 8.600 8.780 -0.180 1 1 1153 . 10 1 1 A 120 120 ALA HA H 120 5.530 4.744 0.786 1 1 1157 . 10 1 1 A 120 120 ALA C C 120 177.100 176.796 0.304 1 1 1158 . 10 1 1 A 120 120 ALA CA C 120 50.300 51.386 -1.086 1 1 1159 . 10 1 1 A 120 120 ALA CB C 120 20.800 19.832 0.968 1 1 1160 . 10 1 1 A 120 120 ALA N N 120 126.500 128.812 -2.312 1 1 1161 . 10 1 1 A 121 121 MET H H 121 9.430 8.666 0.764 1 1 1162 . 10 1 1 A 121 121 MET HA H 121 4.630 5.097 -0.467 1 1 1170 . 10 1 1 A 121 121 MET C C 121 173.300 174.859 -1.559 1 1 1171 . 10 1 1 A 121 121 MET CA C 121 54.600 54.272 0.328 1 1 1172 . 10 1 1 A 121 121 MET CB C 121 36.800 36.039 0.761 1 1 1175 . 10 1 1 A 121 121 MET N N 121 120.400 123.414 -3.014 1 1 1176 . 10 1 1 A 122 122 ASP H H 122 8.460 8.719 -0.259 1 1 1177 . 10 1 1 A 122 122 ASP HA H 122 4.170 4.674 -0.504 1 1 1180 . 10 1 1 A 122 122 ASP C C 122 175.200 177.653 -2.453 1 1 1181 . 10 1 1 A 122 122 ASP CA C 122 55.000 54.864 0.136 1 1 1182 . 10 1 1 A 122 122 ASP CB C 122 41.000 41.540 -0.540 1 1 1183 . 10 1 1 A 122 122 ASP N N 122 116.700 122.708 -6.008 1 1 1184 . 10 1 1 A 123 123 THR H H 123 9.580 8.817 0.763 1 1 1185 . 10 1 1 A 123 123 THR HA H 123 3.670 3.919 -0.249 1 1 1191 . 10 1 1 A 123 123 THR C C 123 174.400 176.071 -1.671 1 1 1192 . 10 1 1 A 123 123 THR CA C 123 68.700 67.000 1.700 1 1 1193 . 10 1 1 A 123 123 THR CB C 123 68.800 69.023 -0.223 1 1 1195 . 10 1 1 A 123 123 THR N N 123 119.600 117.264 2.336 1 1 1196 . 10 1 1 A 124 124 GLN H H 124 8.580 7.900 0.680 1 1 1197 . 10 1 1 A 124 124 GLN HA H 124 3.240 3.503 -0.263 1 1 1202 . 10 1 1 A 124 124 GLN C C 124 177.700 177.480 0.220 1 1 1203 . 10 1 1 A 124 124 GLN CA C 124 60.100 58.246 1.854 1 1 1204 . 10 1 1 A 124 124 GLN CB C 124 27.400 28.610 -1.210 1 1 1206 . 10 1 1 A 124 124 GLN N N 124 121.500 121.436 0.064 1 1 1207 . 10 1 1 A 125 125 ALA H H 125 8.210 8.039 0.171 1 1 1208 . 10 1 1 A 125 125 ALA HA H 125 3.960 4.100 -0.140 1 1 1212 . 10 1 1 A 125 125 ALA C C 125 167.800 180.085 -12.285 1 1 1213 . 10 1 1 A 125 125 ALA CA C 125 54.800 55.008 -0.208 1 1 1214 . 10 1 1 A 125 125 ALA CB C 125 18.700 17.881 0.819 1 1 1215 . 10 1 1 A 125 125 ALA N N 125 122.600 121.244 1.356 1 1 1216 . 10 1 1 A 126 126 ALA H H 126 8.900 8.564 0.336 1 1 1217 . 10 1 1 A 126 126 ALA HA H 126 4.110 3.912 0.198 1 1 1221 . 10 1 1 A 126 126 ALA C C 126 178.500 179.361 -0.861 1 1 1222 . 10 1 1 A 126 126 ALA CA C 126 55.300 54.920 0.380 1 1 1223 . 10 1 1 A 126 126 ALA CB C 126 18.100 18.344 -0.244 1 1 1224 . 10 1 1 A 126 126 ALA N N 126 124.600 120.219 4.381 1 1 1225 . 10 1 1 A 127 127 ALA H H 127 8.440 7.787 0.653 1 1 1226 . 10 1 1 A 127 127 ALA HA H 127 3.850 4.021 -0.171 1 1 1230 . 10 1 1 A 127 127 ALA C C 127 178.400 179.582 -1.182 1 1 1231 . 10 1 1 A 127 127 ALA CA C 127 55.500 55.181 0.319 1 1 1232 . 10 1 1 A 127 127 ALA CB C 127 18.500 18.064 0.436 1 1 1233 . 10 1 1 A 127 127 ALA N N 127 120.200 120.712 -0.512 1 1 1234 . 10 1 1 A 128 128 ARG H H 128 7.790 7.585 0.205 1 1 1235 . 10 1 1 A 128 128 ARG HA H 128 4.020 4.053 -0.033 1 1 1240 . 10 1 1 A 128 128 ARG C C 128 179.400 179.058 0.342 1 1 1241 . 10 1 1 A 128 128 ARG CA C 128 59.600 59.009 0.591 1 1 1242 . 10 1 1 A 128 128 ARG CB C 128 30.800 29.981 0.819 1 1 1244 . 10 1 1 A 128 128 ARG N N 128 115.900 120.132 -4.232 1 1 1245 . 10 1 1 A 129 129 THR H H 129 8.440 8.104 0.336 1 1 1246 . 10 1 1 A 129 129 THR HA H 129 3.770 3.960 -0.190 1 1 1251 . 10 1 1 A 129 129 THR C C 129 175.300 175.891 -0.591 1 1 1252 . 10 1 1 A 129 129 THR CA C 129 67.300 66.585 0.715 1 1 1253 . 10 1 1 A 129 129 THR CB C 129 68.300 68.519 -0.219 1 1 1255 . 10 1 1 A 129 129 THR N N 129 116.400 116.028 0.372 1 1 1256 . 10 1 1 A 130 130 TYR H H 130 8.790 8.669 0.121 1 1 1257 . 10 1 1 A 130 130 TYR HA H 130 3.600 4.083 -0.483 1 1 1262 . 10 1 1 A 130 130 TYR C C 130 175.500 177.325 -1.825 1 1 1263 . 10 1 1 A 130 130 TYR CA C 130 62.600 62.126 0.474 1 1 1264 . 10 1 1 A 130 130 TYR CB C 130 37.500 38.655 -1.155 1 1 1265 . 10 1 1 A 130 130 TYR N N 130 123.500 121.914 1.586 1 1 1266 . 10 1 1 A 131 131 ASN H H 131 7.800 8.407 -0.607 1 1 1267 . 10 1 1 A 131 131 ASN HA H 131 4.220 4.285 -0.065 1 1 1270 . 10 1 1 A 131 131 ASN C C 131 179.200 178.037 1.163 1 1 1271 . 10 1 1 A 131 131 ASN CA C 131 55.500 56.584 -1.084 1 1 1272 . 10 1 1 A 131 131 ASN CB C 131 37.100 39.092 -1.992 1 1 1273 . 10 1 1 A 131 131 ASN N N 131 117.700 117.153 0.547 1 1 1274 . 10 1 1 A 132 132 ILE H H 132 7.520 7.715 -0.195 1 1 1275 . 10 1 1 A 132 132 ILE HA H 132 3.710 3.651 0.059 1 1 1285 . 10 1 1 A 132 132 ILE C C 132 178.100 178.584 -0.484 1 1 1286 . 10 1 1 A 132 132 ILE CA C 132 64.900 65.365 -0.465 1 1 1287 . 10 1 1 A 132 132 ILE CB C 132 38.500 37.798 0.702 1 1 1291 . 10 1 1 A 132 132 ILE N N 132 121.000 119.128 1.872 1 1 1292 . 10 1 1 A 133 133 LEU H H 133 8.420 8.467 -0.047 1 1 1293 . 10 1 1 A 133 133 LEU HA H 133 3.910 3.916 -0.006 1 1 1303 . 10 1 1 A 133 133 LEU C C 133 179.600 179.451 0.149 1 1 1304 . 10 1 1 A 133 133 LEU CA C 133 57.900 57.918 -0.018 1 1 1305 . 10 1 1 A 133 133 LEU CB C 133 41.700 40.797 0.903 1 1 1309 . 10 1 1 A 133 133 LEU N N 133 120.500 119.108 1.392 1 1 1310 . 10 1 1 A 134 134 MET H H 134 8.990 8.336 0.654 1 1 1311 . 10 1 1 A 134 134 MET HA H 134 3.870 4.061 -0.191 1 1 1319 . 10 1 1 A 134 134 MET C C 134 167.400 177.944 -10.544 1 1 1320 . 10 1 1 A 134 134 MET CA C 134 58.400 58.160 0.240 1 1 1321 . 10 1 1 A 134 134 MET CB C 134 30.700 31.998 -1.298 1 1 1324 . 10 1 1 A 134 134 MET N N 134 119.900 118.537 1.363 1 1 1325 . 10 1 1 A 135 135 ALA H H 135 7.490 7.847 -0.357 1 1 1326 . 10 1 1 A 135 135 ALA HA H 135 4.060 3.950 0.110 1 1 1330 . 10 1 1 A 135 135 ALA C C 135 179.100 179.486 -0.386 1 1 1331 . 10 1 1 A 135 135 ALA CA C 135 54.700 55.377 -0.677 1 1 1332 . 10 1 1 A 135 135 ALA CB C 135 18.000 18.070 -0.070 1 1 1333 . 10 1 1 A 135 135 ALA N N 135 124.600 121.325 3.275 1 1 1334 . 10 1 1 A 136 136 GLU H H 136 7.540 7.926 -0.386 1 1 1335 . 10 1 1 A 136 136 GLU HA H 136 4.230 4.244 -0.014 1 1 1340 . 10 1 1 A 136 136 GLU C C 136 176.900 177.022 -0.122 1 1 1341 . 10 1 1 A 136 136 GLU CA C 136 56.400 56.494 -0.094 1 1 1342 . 10 1 1 A 136 136 GLU CB C 136 30.300 29.848 0.452 1 1 1344 . 10 1 1 A 136 136 GLU N N 136 116.500 115.210 1.290 1 1 1345 . 10 1 1 A 137 137 GLY H H 137 7.870 7.763 0.107 1 1 1346 . 10 1 1 A 137 137 GLY HA2 H 137 3.760 3.836 -0.076 1 1 1347 . 10 1 1 A 137 137 GLY HA3 H 137 4.140 3.847 0.293 1 1 1348 . 10 1 1 A 137 137 GLY C C 137 175.100 174.638 0.462 1 1 1349 . 10 1 1 A 137 137 GLY CA C 137 45.600 45.920 -0.320 1 1 1350 . 10 1 1 A 137 137 GLY N N 137 107.100 109.488 -2.388 1 1 1351 . 10 1 1 A 138 138 ARG H H 138 7.580 7.803 -0.223 1 1 1352 . 10 1 1 A 138 138 ARG HA H 138 4.270 4.354 -0.084 1 1 1357 . 10 1 1 A 138 138 ARG C C 138 176.900 175.881 1.019 1 1 1358 . 10 1 1 A 138 138 ARG CA C 138 54.500 55.584 -1.084 1 1 1359 . 10 1 1 A 138 138 ARG CB C 138 30.100 31.331 -1.231 1 1 1361 . 10 1 1 A 138 138 ARG N N 138 118.100 119.531 -1.431 1 1 1362 . 10 1 1 A 139 139 ARG H H 139 9.240 8.482 0.758 1 1 1363 . 10 1 1 A 139 139 ARG HA H 139 4.470 4.579 -0.109 1 1 1370 . 10 1 1 A 139 139 ARG C C 139 174.400 175.022 -0.622 1 1 1371 . 10 1 1 A 139 139 ARG CA C 139 55.700 55.883 -0.183 1 1 1372 . 10 1 1 A 139 139 ARG CB C 139 28.000 29.946 -1.946 1 1 1375 . 10 1 1 A 139 139 ARG N N 139 124.400 121.916 2.484 1 1 1376 . 10 1 1 A 140 140 VAL H H 140 7.250 8.342 -1.092 1 1 1377 . 10 1 1 A 140 140 VAL HA H 140 5.180 5.371 -0.191 1 1 1385 . 10 1 1 A 140 140 VAL C C 140 172.800 173.952 -1.152 1 1 1386 . 10 1 1 A 140 140 VAL CA C 140 57.700 59.872 -2.172 1 1 1387 . 10 1 1 A 140 140 VAL CB C 140 34.700 34.926 -0.226 1 1 1390 . 10 1 1 A 140 140 VAL N N 140 121.900 123.664 -1.764 1 1 1391 . 10 1 1 A 141 141 VAL H H 141 8.180 8.771 -0.591 1 1 1392 . 10 1 1 A 141 141 VAL HA H 141 4.510 4.680 -0.170 1 1 1400 . 10 1 1 A 141 141 VAL C C 141 172.600 173.978 -1.378 1 1 1401 . 10 1 1 A 141 141 VAL CA C 141 60.300 60.937 -0.637 1 1 1402 . 10 1 1 A 141 141 VAL CB C 141 35.600 33.922 1.678 1 1 1405 . 10 1 1 A 141 141 VAL N N 141 123.900 128.080 -4.180 1 1 1406 . 10 1 1 A 142 142 VAL H H 142 8.430 8.867 -0.437 1 1 1407 . 10 1 1 A 142 142 VAL HA H 142 5.220 4.906 0.314 1 1 1415 . 10 1 1 A 142 142 VAL C C 142 170.000 172.815 -2.815 1 1 1416 . 10 1 1 A 142 142 VAL CA C 142 57.600 59.101 -1.501 1 1 1417 . 10 1 1 A 142 142 VAL CB C 142 35.500 33.551 1.949 1 1 1420 . 10 1 1 A 142 142 VAL N N 142 124.600 127.837 -3.237 1 1 1421 . 10 1 1 A 143 143 ALA H H 143 8.220 9.137 -0.917 1 1 1422 . 10 1 1 A 143 143 ALA HA H 143 4.680 5.042 -0.362 1 1 1426 . 10 1 1 A 143 143 ALA C C 143 175.400 175.394 0.006 1 1 1427 . 10 1 1 A 143 143 ALA CA C 143 49.900 49.972 -0.072 1 1 1428 . 10 1 1 A 143 143 ALA CB C 143 19.600 20.386 -0.786 1 1 1429 . 10 1 1 A 143 143 ALA N N 143 129.100 130.699 -1.599 1 1 1430 . 10 1 1 A 144 144 LEU H H 144 9.070 9.160 -0.090 1 1 1431 . 10 1 1 A 144 144 LEU HA H 144 4.840 5.134 -0.294 1 1 1441 . 10 1 1 A 144 144 LEU CA C 144 53.400 53.565 -0.165 1 1 1442 . 10 1 1 A 144 144 LEU CB C 144 46.500 43.266 3.234 1 1 1445 . 10 1 1 A 144 144 LEU N N 144 119.600 123.880 -4.280 1 1 1446 . 10 1 1 A 145 145 LEU HA H 145 4.830 4.951 -0.121 1 1 1456 . 10 1 1 A 145 145 LEU CA C 145 51.800 51.099 0.701 1 1 1457 . 10 1 1 A 145 145 LEU CB C 145 41.700 42.762 -1.062 1 1 1461 . 10 1 1 A 146 146 PRO HA H 146 4.330 4.691 -0.361 1 1 1466 . 10 1 1 A 146 146 PRO C C 146 175.700 175.756 -0.056 1 1 1467 . 10 1 1 A 146 146 PRO CA C 146 62.800 62.235 0.565 1 1 1468 . 10 1 1 A 146 146 PRO CB C 146 31.500 33.255 -1.755 1 1 1470 . 10 1 1 A 147 147 ASP H H 147 8.660 8.302 0.358 1 1 1471 . 10 1 1 A 147 147 ASP HA H 147 4.510 5.059 -0.549 1 1 1474 . 10 1 1 A 147 147 ASP C C 147 176.300 175.799 0.501 1 1 1475 . 10 1 1 A 147 147 ASP CA C 147 54.300 52.227 2.073 1 1 1476 . 10 1 1 A 147 147 ASP CB C 147 42.100 43.325 -1.225 1 1 1477 . 10 1 1 A 147 147 ASP N N 147 120.700 120.778 -0.078 1 1 1478 . 10 1 1 A 148 148 GLY H H 148 8.310 8.424 -0.114 1 1 1479 . 10 1 1 A 148 148 GLY HA2 H 148 4.020 4.028 -0.008 1 1 1480 . 10 1 1 A 148 148 GLY HA3 H 148 4.050 4.041 0.009 1 1 1481 . 10 1 1 A 148 148 GLY C C 148 173.600 174.784 -1.184 1 1 1482 . 10 1 1 A 148 148 GLY CA C 148 45.200 45.495 -0.295 1 1 1483 . 10 1 1 A 148 148 GLY N N 148 109.400 108.564 0.836 1 1 1484 . 10 1 1 A 149 149 ASP H H 149 8.550 8.404 0.146 1 1 1485 . 10 1 1 A 149 149 ASP HA H 149 4.650 4.824 -0.174 1 1 1488 . 10 1 1 A 149 149 ASP C C 149 176.700 177.243 -0.543 1 1 1489 . 10 1 1 A 149 149 ASP CA C 149 54.500 55.239 -0.739 1 1 1490 . 10 1 1 A 149 149 ASP CB C 149 41.600 43.226 -1.626 1 1 1491 . 10 1 1 A 149 149 ASP N N 149 120.800 120.079 0.721 1 1 1492 . 10 1 1 A 150 150 SER H H 150 8.600 8.314 0.286 1 1 1493 . 10 1 1 A 150 150 SER HA H 150 4.350 4.277 0.073 1 1 1496 . 10 1 1 A 150 150 SER C C 150 175.000 175.404 -0.404 1 1 1497 . 10 1 1 A 150 150 SER CA C 150 58.900 62.113 -3.213 1 1 1498 . 10 1 1 A 150 150 SER CB C 150 63.500 63.194 0.306 1 1 1499 . 10 1 1 A 150 150 SER N N 150 116.400 116.506 -0.106 1 1 1500 . 10 1 1 A 151 151 LEU H H 151 8.290 7.478 0.812 1 1 1501 . 10 1 1 A 151 151 LEU CA C 151 55.500 54.260 1.240 1 1 1502 . 10 1 1 A 151 151 LEU CB C 151 41.900 41.013 0.887 1 1 5 . 11 1 1 A 4 4 HIS C C 4 174.800 176.781 -1.981 1 1 6 . 11 1 1 A 4 4 HIS CA C 4 55.900 57.367 -1.467 1 1 7 . 11 1 1 A 4 4 HIS CB C 4 30.000 29.544 0.456 1 1 8 . 11 1 1 A 5 5 THR H H 5 7.990 7.714 0.276 1 1 9 . 11 1 1 A 5 5 THR C C 5 173.800 174.631 -0.831 1 1 10 . 11 1 1 A 5 5 THR CA C 5 61.500 65.080 -3.580 1 1 11 . 11 1 1 A 5 5 THR CB C 5 69.900 69.390 0.510 1 1 12 . 11 1 1 A 5 5 THR N N 5 115.300 112.128 3.172 1 1 13 . 11 1 1 A 6 6 ASP H H 6 8.370 7.800 0.570 1 1 14 . 11 1 1 A 6 6 ASP HA H 6 4.860 4.865 -0.005 1 1 17 . 11 1 1 A 6 6 ASP CA C 6 52.500 52.121 0.379 1 1 18 . 11 1 1 A 6 6 ASP CB C 6 41.100 41.904 -0.804 1 1 19 . 11 1 1 A 6 6 ASP N N 6 124.400 121.893 2.507 1 1 20 . 11 1 1 A 7 7 PRO HA H 7 4.350 4.417 -0.067 1 1 26 . 11 1 1 A 7 7 PRO C C 7 176.900 176.880 0.020 1 1 27 . 11 1 1 A 7 7 PRO CA C 7 63.500 62.625 0.875 1 1 28 . 11 1 1 A 7 7 PRO CB C 7 32.100 31.893 0.207 1 1 31 . 11 1 1 A 8 8 ALA H H 8 8.420 8.277 0.143 1 1 32 . 11 1 1 A 8 8 ALA HA H 8 4.260 4.249 0.011 1 1 36 . 11 1 1 A 8 8 ALA C C 8 178.100 177.494 0.606 1 1 37 . 11 1 1 A 8 8 ALA CA C 8 52.900 52.675 0.225 1 1 38 . 11 1 1 A 8 8 ALA CB C 8 19.200 19.093 0.107 1 1 39 . 11 1 1 A 8 8 ALA N N 8 122.700 125.124 -2.424 1 1 40 . 11 1 1 A 9 9 THR H H 9 7.880 8.634 -0.754 1 1 41 . 11 1 1 A 9 9 THR HA H 9 4.230 4.167 0.063 1 1 46 . 11 1 1 A 9 9 THR C C 9 173.800 174.510 -0.710 1 1 47 . 11 1 1 A 9 9 THR CA C 9 61.700 64.487 -2.787 1 1 48 . 11 1 1 A 9 9 THR CB C 9 69.700 69.214 0.486 1 1 50 . 11 1 1 A 9 9 THR N N 9 112.900 118.763 -5.863 1 1 51 . 11 1 1 A 10 10 ALA H H 10 8.160 8.410 -0.250 1 1 52 . 11 1 1 A 10 10 ALA HA H 10 4.340 4.327 0.013 1 1 56 . 11 1 1 A 10 10 ALA C C 10 177.000 176.415 0.585 1 1 57 . 11 1 1 A 10 10 ALA CA C 10 52.300 51.896 0.404 1 1 58 . 11 1 1 A 10 10 ALA CB C 10 19.400 18.411 0.989 1 1 59 . 11 1 1 A 10 10 ALA N N 10 127.000 128.811 -1.811 1 1 60 . 11 1 1 A 11 11 LEU H H 11 8.040 8.393 -0.353 1 1 61 . 11 1 1 A 11 11 LEU HA H 11 4.640 4.824 -0.184 1 1 70 . 11 1 1 A 11 11 LEU C C 11 178.300 176.213 2.087 1 1 71 . 11 1 1 A 11 11 LEU CA C 11 54.000 54.083 -0.083 1 1 72 . 11 1 1 A 11 11 LEU CB C 11 42.900 41.915 0.985 1 1 75 . 11 1 1 A 11 11 LEU N N 11 121.500 124.874 -3.374 1 1 76 . 11 1 1 A 12 12 ASN H H 12 9.700 8.783 0.917 1 1 77 . 11 1 1 A 12 12 ASN HA H 12 4.760 5.278 -0.518 1 1 80 . 11 1 1 A 12 12 ASN C C 12 174.700 175.337 -0.637 1 1 81 . 11 1 1 A 12 12 ASN CA C 12 54.100 53.492 0.608 1 1 82 . 11 1 1 A 12 12 ASN CB C 12 38.100 38.663 -0.563 1 1 83 . 11 1 1 A 12 12 ASN N N 12 121.500 123.780 -2.280 1 1 84 . 11 1 1 A 13 13 THR H H 13 8.710 8.721 -0.011 1 1 85 . 11 1 1 A 13 13 THR HA H 13 4.760 4.973 -0.213 1 1 90 . 11 1 1 A 13 13 THR C C 13 173.600 174.266 -0.666 1 1 91 . 11 1 1 A 13 13 THR CA C 13 61.900 61.933 -0.033 1 1 92 . 11 1 1 A 13 13 THR CB C 13 71.500 71.004 0.496 1 1 94 . 11 1 1 A 13 13 THR N N 13 121.800 119.820 1.980 1 1 95 . 11 1 1 A 14 14 VAL H H 14 9.500 9.165 0.335 1 1 96 . 11 1 1 A 14 14 VAL HA H 14 4.660 4.066 0.594 1 1 104 . 11 1 1 A 14 14 VAL C C 14 177.000 175.680 1.320 1 1 105 . 11 1 1 A 14 14 VAL CA C 14 63.800 63.640 0.160 1 1 106 . 11 1 1 A 14 14 VAL CB C 14 30.600 31.202 -0.602 1 1 109 . 11 1 1 A 14 14 VAL N N 14 126.700 126.885 -0.185 1 1 110 . 11 1 1 A 15 15 THR H H 15 8.900 9.380 -0.480 1 1 111 . 11 1 1 A 15 15 THR HA H 15 4.300 4.324 -0.024 1 1 116 . 11 1 1 A 15 15 THR C C 15 174.900 174.905 -0.005 1 1 117 . 11 1 1 A 15 15 THR CA C 15 62.800 63.894 -1.094 1 1 118 . 11 1 1 A 15 15 THR CB C 15 68.700 69.200 -0.500 1 1 120 . 11 1 1 A 15 15 THR N N 15 122.000 123.316 -1.316 1 1 121 . 11 1 1 A 16 16 ALA H H 16 7.960 7.459 0.501 1 1 122 . 11 1 1 A 16 16 ALA HA H 16 4.360 4.842 -0.482 1 1 126 . 11 1 1 A 16 16 ALA C C 16 174.400 174.742 -0.342 1 1 127 . 11 1 1 A 16 16 ALA CA C 16 52.600 50.963 1.637 1 1 128 . 11 1 1 A 16 16 ALA CB C 16 21.900 23.341 -1.441 1 1 129 . 11 1 1 A 16 16 ALA N N 16 120.900 120.110 0.790 1 1 130 . 11 1 1 A 17 17 TYR H H 17 7.790 8.865 -1.075 1 1 131 . 11 1 1 A 17 17 TYR HA H 17 4.390 5.303 -0.913 1 1 136 . 11 1 1 A 17 17 TYR C C 17 173.000 174.222 -1.222 1 1 137 . 11 1 1 A 17 17 TYR CA C 17 56.400 55.613 0.787 1 1 138 . 11 1 1 A 17 17 TYR CB C 17 39.700 41.722 -2.022 1 1 141 . 11 1 1 A 17 17 TYR N N 17 114.800 122.568 -7.768 1 1 142 . 11 1 1 A 18 18 GLY H H 18 7.030 7.886 -0.856 1 1 143 . 11 1 1 A 18 18 GLY HA2 H 18 3.210 3.066 0.144 1 1 144 . 11 1 1 A 18 18 GLY HA3 H 18 3.900 4.050 -0.150 1 1 145 . 11 1 1 A 18 18 GLY C C 18 172.200 174.069 -1.869 1 1 146 . 11 1 1 A 18 18 GLY CA C 18 44.900 43.550 1.350 1 1 147 . 11 1 1 A 18 18 GLY N N 18 108.600 112.934 -4.334 1 1 148 . 11 1 1 A 19 19 ASP H H 19 8.410 8.361 0.049 1 1 149 . 11 1 1 A 19 19 ASP HA H 19 4.320 4.278 0.042 1 1 152 . 11 1 1 A 19 19 ASP C C 19 176.500 177.717 -1.217 1 1 153 . 11 1 1 A 19 19 ASP CA C 19 55.600 57.110 -1.510 1 1 154 . 11 1 1 A 19 19 ASP CB C 19 39.500 41.325 -1.825 1 1 155 . 11 1 1 A 19 19 ASP N N 19 120.400 118.789 1.611 1 1 156 . 11 1 1 A 20 20 GLY H H 20 8.670 7.997 0.673 1 1 157 . 11 1 1 A 20 20 GLY HA2 H 20 3.670 3.962 -0.292 1 1 158 . 11 1 1 A 20 20 GLY HA3 H 20 4.210 4.023 0.187 1 1 159 . 11 1 1 A 20 20 GLY C C 20 173.900 173.552 0.348 1 1 160 . 11 1 1 A 20 20 GLY CA C 20 45.800 45.446 0.354 1 1 161 . 11 1 1 A 20 20 GLY N N 20 113.500 106.936 6.564 1 1 162 . 11 1 1 A 21 21 TYR H H 21 7.530 7.277 0.253 1 1 163 . 11 1 1 A 21 21 TYR HA H 21 5.480 5.188 0.292 1 1 168 . 11 1 1 A 21 21 TYR C C 21 172.800 172.821 -0.021 1 1 169 . 11 1 1 A 21 21 TYR CA C 21 56.700 56.300 0.400 1 1 170 . 11 1 1 A 21 21 TYR CB C 21 41.400 40.887 0.513 1 1 173 . 11 1 1 A 21 21 TYR N N 21 114.300 117.005 -2.705 1 1 174 . 11 1 1 A 22 22 ILE H H 22 8.780 9.327 -0.547 1 1 175 . 11 1 1 A 22 22 ILE HA H 22 4.350 4.621 -0.271 1 1 185 . 11 1 1 A 22 22 ILE C C 22 173.800 174.769 -0.969 1 1 186 . 11 1 1 A 22 22 ILE CA C 22 60.200 60.323 -0.123 1 1 187 . 11 1 1 A 22 22 ILE CB C 22 41.700 40.614 1.086 1 1 191 . 11 1 1 A 22 22 ILE N N 22 119.300 122.226 -2.926 1 1 192 . 11 1 1 A 23 23 GLU H H 23 9.010 9.259 -0.249 1 1 193 . 11 1 1 A 23 23 GLU HA H 23 5.680 5.069 0.611 1 1 198 . 11 1 1 A 23 23 GLU C C 23 175.000 175.356 -0.356 1 1 199 . 11 1 1 A 23 23 GLU CA C 23 54.300 55.496 -1.196 1 1 200 . 11 1 1 A 23 23 GLU CB C 23 33.500 31.024 2.476 1 1 202 . 11 1 1 A 23 23 GLU N N 23 127.800 128.012 -0.212 1 1 203 . 11 1 1 A 24 24 VAL H H 24 8.980 8.937 0.043 1 1 204 . 11 1 1 A 24 24 VAL HA H 24 4.840 4.480 0.360 1 1 212 . 11 1 1 A 24 24 VAL C C 24 177.300 175.788 1.512 1 1 213 . 11 1 1 A 24 24 VAL CA C 24 60.600 61.024 -0.424 1 1 214 . 11 1 1 A 24 24 VAL CB C 24 33.600 33.498 0.102 1 1 217 . 11 1 1 A 24 24 VAL N N 24 125.400 126.999 -1.599 1 1 218 . 11 1 1 A 25 25 ASN H H 25 9.340 9.635 -0.295 1 1 219 . 11 1 1 A 25 25 ASN HA H 25 4.340 4.445 -0.105 1 1 222 . 11 1 1 A 25 25 ASN C C 25 173.800 174.604 -0.804 1 1 223 . 11 1 1 A 25 25 ASN CA C 25 54.600 54.721 -0.121 1 1 224 . 11 1 1 A 25 25 ASN CB C 25 36.600 37.049 -0.449 1 1 225 . 11 1 1 A 25 25 ASN N N 25 127.800 127.253 0.547 1 1 226 . 11 1 1 A 26 26 GLN H H 26 7.920 8.360 -0.440 1 1 227 . 11 1 1 A 26 26 GLN HA H 26 3.670 3.993 -0.323 1 1 232 . 11 1 1 A 26 26 GLN C C 26 174.400 174.412 -0.012 1 1 233 . 11 1 1 A 26 26 GLN CA C 26 58.100 57.316 0.784 1 1 234 . 11 1 1 A 26 26 GLN CB C 26 26.500 26.782 -0.282 1 1 236 . 11 1 1 A 26 26 GLN N N 26 104.100 108.946 -4.846 1 1 237 . 11 1 1 A 27 27 VAL H H 27 7.850 7.808 0.042 1 1 238 . 11 1 1 A 27 27 VAL HA H 27 3.900 4.117 -0.217 1 1 246 . 11 1 1 A 27 27 VAL C C 27 174.200 174.665 -0.465 1 1 247 . 11 1 1 A 27 27 VAL CA C 27 62.100 61.498 0.602 1 1 248 . 11 1 1 A 27 27 VAL CB C 27 32.500 33.036 -0.536 1 1 251 . 11 1 1 A 27 27 VAL N N 27 123.100 119.427 3.673 1 1 252 . 11 1 1 A 28 28 ARG H H 28 8.430 8.678 -0.248 1 1 253 . 11 1 1 A 28 28 ARG HA H 28 4.320 4.680 -0.360 1 1 256 . 11 1 1 A 28 28 ARG C C 28 175.200 174.771 0.429 1 1 257 . 11 1 1 A 28 28 ARG CA C 28 57.100 55.243 1.857 1 1 258 . 11 1 1 A 28 28 ARG CB C 28 31.300 30.849 0.451 1 1 259 . 11 1 1 A 28 28 ARG N N 28 126.200 127.456 -1.256 1 1 260 . 11 1 1 A 29 29 PHE H H 29 9.290 9.436 -0.146 1 1 261 . 11 1 1 A 29 29 PHE HA H 29 4.580 4.817 -0.237 1 1 266 . 11 1 1 A 29 29 PHE C C 29 175.800 175.784 0.016 1 1 267 . 11 1 1 A 29 29 PHE CA C 29 57.700 56.579 1.121 1 1 268 . 11 1 1 A 29 29 PHE CB C 29 42.000 40.476 1.524 1 1 271 . 11 1 1 A 29 29 PHE N N 29 123.900 124.283 -0.383 1 1 272 . 11 1 1 A 30 30 SER H H 30 8.950 8.841 0.109 1 1 273 . 11 1 1 A 30 30 SER HA H 30 5.130 4.768 0.362 1 1 276 . 11 1 1 A 30 30 SER C C 30 172.900 173.432 -0.532 1 1 277 . 11 1 1 A 30 30 SER CA C 30 57.000 58.208 -1.208 1 1 278 . 11 1 1 A 30 30 SER CB C 30 63.200 63.384 -0.184 1 1 279 . 11 1 1 A 30 30 SER N N 30 119.400 116.795 2.605 1 1 280 . 11 1 1 A 31 31 HIS H H 31 7.170 7.234 -0.064 1 1 281 . 11 1 1 A 31 31 HIS HA H 31 4.840 5.068 -0.228 1 1 284 . 11 1 1 A 31 31 HIS C C 31 171.900 173.031 -1.131 1 1 285 . 11 1 1 A 31 31 HIS CA C 31 53.200 54.073 -0.873 1 1 286 . 11 1 1 A 31 31 HIS CB C 31 31.100 31.565 -0.465 1 1 287 . 11 1 1 A 31 31 HIS N N 31 114.600 117.013 -2.413 1 1 288 . 11 1 1 A 32 32 ALA H H 32 8.930 8.435 0.495 1 1 289 . 11 1 1 A 32 32 ALA HA H 32 5.050 4.754 0.296 1 1 293 . 11 1 1 A 32 32 ALA C C 32 179.000 177.881 1.119 1 1 294 . 11 1 1 A 32 32 ALA CA C 32 53.700 53.010 0.690 1 1 295 . 11 1 1 A 32 32 ALA CB C 32 20.700 19.402 1.298 1 1 296 . 11 1 1 A 32 32 ALA N N 32 120.200 122.261 -2.061 1 1 297 . 11 1 1 A 33 33 ILE H H 33 8.280 8.857 -0.577 1 1 298 . 11 1 1 A 33 33 ILE HA H 33 5.520 5.203 0.317 1 1 308 . 11 1 1 A 33 33 ILE C C 33 173.400 174.423 -1.023 1 1 309 . 11 1 1 A 33 33 ILE CA C 33 59.500 59.464 0.036 1 1 310 . 11 1 1 A 33 33 ILE CB C 33 44.500 42.382 2.118 1 1 313 . 11 1 1 A 33 33 ILE N N 33 115.800 118.469 -2.669 1 1 314 . 11 1 1 A 34 34 ALA H H 34 8.900 9.176 -0.276 1 1 315 . 11 1 1 A 34 34 ALA HA H 34 5.290 5.345 -0.055 1 1 319 . 11 1 1 A 34 34 ALA C C 34 176.100 176.079 0.021 1 1 320 . 11 1 1 A 34 34 ALA CA C 34 51.100 50.395 0.705 1 1 321 . 11 1 1 A 34 34 ALA CB C 34 21.900 21.494 0.406 1 1 322 . 11 1 1 A 34 34 ALA N N 34 121.600 125.357 -3.757 1 1 323 . 11 1 1 A 35 35 PHE H H 35 8.580 8.291 0.289 1 1 324 . 11 1 1 A 35 35 PHE HA H 35 4.740 5.335 -0.595 1 1 330 . 11 1 1 A 35 35 PHE C C 35 170.000 172.708 -2.708 1 1 331 . 11 1 1 A 35 35 PHE CA C 35 57.100 55.623 1.477 1 1 332 . 11 1 1 A 35 35 PHE CB C 35 39.700 42.360 -2.660 1 1 336 . 11 1 1 A 35 35 PHE N N 35 116.600 117.840 -1.240 1 1 337 . 11 1 1 A 36 36 ALA H H 36 8.730 8.531 0.199 1 1 338 . 11 1 1 A 36 36 ALA HA H 36 5.170 5.071 0.099 1 1 342 . 11 1 1 A 36 36 ALA CA C 36 49.100 50.142 -1.042 1 1 343 . 11 1 1 A 36 36 ALA CB C 36 20.500 22.281 -1.781 1 1 344 . 11 1 1 A 36 36 ALA N N 36 123.400 121.439 1.961 1 1 345 . 11 1 1 A 37 37 PRO HA H 37 4.740 4.454 0.286 1 1 350 . 11 1 1 A 37 37 PRO C C 37 176.500 177.026 -0.526 1 1 351 . 11 1 1 A 37 37 PRO CA C 37 66.200 63.871 2.329 1 1 352 . 11 1 1 A 37 37 PRO CB C 37 33.600 31.827 1.773 1 1 354 . 11 1 1 A 38 38 GLU H H 38 7.450 9.197 -1.747 1 1 355 . 11 1 1 A 38 38 GLU HA H 38 4.790 3.946 0.844 1 1 360 . 11 1 1 A 38 38 GLU C C 38 177.300 176.108 1.192 1 1 361 . 11 1 1 A 38 38 GLU CA C 38 54.200 58.389 -4.189 1 1 362 . 11 1 1 A 38 38 GLU CB C 38 32.600 28.068 4.532 1 1 364 . 11 1 1 A 38 38 GLU N N 38 110.100 116.593 -6.493 1 1 365 . 11 1 1 A 39 39 GLY H H 39 8.600 7.842 0.758 1 1 366 . 11 1 1 A 39 39 GLY HA2 H 39 3.920 4.206 -0.286 1 1 367 . 11 1 1 A 39 39 GLY HA3 H 39 4.440 4.213 0.227 1 1 368 . 11 1 1 A 39 39 GLY CA C 39 44.400 44.534 -0.134 1 1 369 . 11 1 1 A 39 39 GLY N N 39 109.500 108.243 1.257 1 1 370 . 11 1 1 A 40 40 PRO HA H 40 4.550 4.620 -0.070 1 1 375 . 11 1 1 A 40 40 PRO C C 40 177.100 175.618 1.482 1 1 376 . 11 1 1 A 40 40 PRO CA C 40 62.500 62.452 0.048 1 1 377 . 11 1 1 A 40 40 PRO CB C 40 32.700 33.083 -0.383 1 1 378 . 11 1 1 A 41 41 VAL H H 41 8.530 8.448 0.082 1 1 379 . 11 1 1 A 41 41 VAL HA H 41 3.900 4.397 -0.497 1 1 387 . 11 1 1 A 41 41 VAL C C 41 175.200 175.389 -0.189 1 1 388 . 11 1 1 A 41 41 VAL CA C 41 63.000 61.400 1.600 1 1 389 . 11 1 1 A 41 41 VAL CB C 41 31.100 31.410 -0.310 1 1 392 . 11 1 1 A 41 41 VAL N N 41 123.000 119.493 3.507 1 1 393 . 11 1 1 A 42 42 ALA H H 42 8.320 9.108 -0.788 1 1 394 . 11 1 1 A 42 42 ALA HA H 42 4.750 4.711 0.039 1 1 398 . 11 1 1 A 42 42 ALA C C 42 177.400 176.817 0.583 1 1 399 . 11 1 1 A 42 42 ALA CA C 42 50.800 51.474 -0.674 1 1 400 . 11 1 1 A 42 42 ALA CB C 42 21.400 19.524 1.876 1 1 401 . 11 1 1 A 42 42 ALA N N 42 131.300 131.705 -0.405 1 1 402 . 11 1 1 A 43 43 SER H H 43 8.660 8.682 -0.022 1 1 403 . 11 1 1 A 43 43 SER HA H 43 4.690 4.893 -0.203 1 1 406 . 11 1 1 A 43 43 SER CA C 43 59.000 57.730 1.270 1 1 407 . 11 1 1 A 43 43 SER CB C 43 62.800 63.847 -1.047 1 1 408 . 11 1 1 A 43 43 SER N N 43 115.400 115.973 -0.573 1 1 409 . 11 1 1 A 44 44 TRP HA H 44 5.470 5.016 0.454 1 1 418 . 11 1 1 A 44 44 TRP CA C 44 52.200 55.582 -3.382 1 1 419 . 11 1 1 A 44 44 TRP CB C 44 31.000 30.792 0.208 1 1 426 . 11 1 1 A 45 45 PRO HA H 45 4.550 4.328 0.222 1 1 431 . 11 1 1 A 45 45 PRO C C 45 173.000 175.909 -2.909 1 1 432 . 11 1 1 A 45 45 PRO CA C 45 63.300 63.610 -0.310 1 1 433 . 11 1 1 A 45 45 PRO CB C 45 27.800 31.403 -3.603 1 1 435 . 11 1 1 A 46 46 VAL H H 46 8.390 7.553 0.837 1 1 436 . 11 1 1 A 46 46 VAL HA H 46 3.770 3.921 -0.151 1 1 444 . 11 1 1 A 46 46 VAL C C 46 174.100 175.434 -1.334 1 1 445 . 11 1 1 A 46 46 VAL CA C 46 61.100 61.183 -0.083 1 1 446 . 11 1 1 A 46 46 VAL CB C 46 35.200 31.840 3.360 1 1 449 . 11 1 1 A 46 46 VAL N N 46 124.300 120.667 3.633 1 1 450 . 11 1 1 A 47 47 GLN H H 47 8.970 8.639 0.331 1 1 451 . 11 1 1 A 47 47 GLN HA H 47 4.430 4.658 -0.228 1 1 456 . 11 1 1 A 47 47 GLN C C 47 175.100 175.399 -0.299 1 1 457 . 11 1 1 A 47 47 GLN CA C 47 56.400 55.480 0.920 1 1 458 . 11 1 1 A 47 47 GLN CB C 47 30.900 30.080 0.820 1 1 459 . 11 1 1 A 47 47 GLN N N 47 122.000 125.959 -3.959 1 1 460 . 11 1 1 A 48 48 ARG H H 48 7.720 7.308 0.412 1 1 461 . 11 1 1 A 48 48 ARG HA H 48 4.750 4.597 0.153 1 1 468 . 11 1 1 A 48 48 ARG CA C 48 52.800 52.435 0.365 1 1 469 . 11 1 1 A 48 48 ARG CB C 48 30.500 31.000 -0.500 1 1 471 . 11 1 1 A 48 48 ARG N N 48 116.600 119.548 -2.948 1 1 472 . 11 1 1 A 49 49 PRO HA H 49 3.750 4.347 -0.597 1 1 477 . 11 1 1 A 49 49 PRO C C 49 177.500 177.587 -0.087 1 1 478 . 11 1 1 A 49 49 PRO CA C 49 65.400 65.246 0.154 1 1 479 . 11 1 1 A 49 49 PRO CB C 49 30.700 31.708 -1.008 1 1 481 . 11 1 1 A 50 50 ALA H H 50 7.960 8.263 -0.303 1 1 482 . 11 1 1 A 50 50 ALA HA H 50 4.010 4.295 -0.285 1 1 486 . 11 1 1 A 50 50 ALA C C 50 177.300 177.539 -0.239 1 1 487 . 11 1 1 A 50 50 ALA CA C 50 53.800 52.666 1.134 1 1 488 . 11 1 1 A 50 50 ALA CB C 50 18.500 18.880 -0.380 1 1 489 . 11 1 1 A 50 50 ALA N N 50 117.200 119.232 -2.032 1 1 490 . 11 1 1 A 51 51 ASP H H 51 7.570 7.687 -0.117 1 1 491 . 11 1 1 A 51 51 ASP HA H 51 4.410 4.397 0.013 1 1 494 . 11 1 1 A 51 51 ASP C C 51 176.000 176.347 -0.347 1 1 495 . 11 1 1 A 51 51 ASP CA C 51 54.200 55.796 -1.596 1 1 496 . 11 1 1 A 51 51 ASP CB C 51 41.900 41.022 0.878 1 1 497 . 11 1 1 A 51 51 ASP N N 51 114.800 117.512 -2.712 1 1 498 . 11 1 1 A 52 52 ILE H H 52 7.290 7.151 0.139 1 1 499 . 11 1 1 A 52 52 ILE HA H 52 3.100 3.759 -0.659 1 1 509 . 11 1 1 A 52 52 ILE C C 52 174.800 175.329 -0.529 1 1 510 . 11 1 1 A 52 52 ILE CA C 52 65.100 62.207 2.893 1 1 511 . 11 1 1 A 52 52 ILE CB C 52 37.100 37.660 -0.560 1 1 515 . 11 1 1 A 52 52 ILE N N 52 117.700 120.938 -3.238 1 1 516 . 11 1 1 A 53 53 THR H H 53 6.560 8.721 -2.161 1 1 517 . 11 1 1 A 53 53 THR HA H 53 4.720 4.769 -0.049 1 1 522 . 11 1 1 A 53 53 THR C C 53 174.600 175.236 -0.636 1 1 523 . 11 1 1 A 53 53 THR CA C 53 58.500 60.665 -2.165 1 1 524 . 11 1 1 A 53 53 THR CB C 53 72.900 71.488 1.412 1 1 526 . 11 1 1 A 53 53 THR N N 53 117.300 122.476 -5.176 1 1 527 . 11 1 1 A 54 54 ALA H H 54 9.340 9.188 0.152 1 1 528 . 11 1 1 A 54 54 ALA HA H 54 4.460 4.046 0.414 1 1 532 . 11 1 1 A 54 54 ALA C C 54 167.400 179.592 -12.192 1 1 533 . 11 1 1 A 54 54 ALA CA C 54 55.800 55.514 0.286 1 1 534 . 11 1 1 A 54 54 ALA CB C 54 18.200 18.212 -0.012 1 1 535 . 11 1 1 A 54 54 ALA N N 54 123.800 127.109 -3.309 1 1 536 . 11 1 1 A 55 55 SER H H 55 8.530 8.038 0.492 1 1 537 . 11 1 1 A 55 55 SER HA H 55 4.280 4.192 0.088 1 1 541 . 11 1 1 A 55 55 SER C C 55 177.700 177.356 0.344 1 1 542 . 11 1 1 A 55 55 SER CA C 55 61.600 61.414 0.186 1 1 543 . 11 1 1 A 55 55 SER CB C 55 62.600 63.035 -0.435 1 1 544 . 11 1 1 A 55 55 SER N N 55 112.600 113.483 -0.883 1 1 545 . 11 1 1 A 56 56 LEU H H 56 7.810 8.113 -0.303 1 1 546 . 11 1 1 A 56 56 LEU HA H 56 4.280 4.153 0.127 1 1 556 . 11 1 1 A 56 56 LEU C C 56 168.100 180.240 -12.140 1 1 557 . 11 1 1 A 56 56 LEU CA C 56 57.900 57.699 0.201 1 1 558 . 11 1 1 A 56 56 LEU CB C 56 42.100 41.346 0.754 1 1 562 . 11 1 1 A 56 56 LEU N N 56 122.500 121.778 0.722 1 1 563 . 11 1 1 A 57 57 LEU H H 57 8.490 8.106 0.384 1 1 564 . 11 1 1 A 57 57 LEU HA H 57 4.180 4.079 0.101 1 1 574 . 11 1 1 A 57 57 LEU C C 57 178.000 179.217 -1.217 1 1 575 . 11 1 1 A 57 57 LEU CA C 57 58.300 57.925 0.375 1 1 576 . 11 1 1 A 57 57 LEU CB C 57 41.200 41.219 -0.019 1 1 580 . 11 1 1 A 57 57 LEU N N 57 123.900 120.552 3.348 1 1 581 . 11 1 1 A 58 58 GLN H H 58 8.500 8.381 0.119 1 1 582 . 11 1 1 A 58 58 GLN HA H 58 3.680 4.001 -0.321 1 1 589 . 11 1 1 A 58 58 GLN C C 58 178.200 179.043 -0.843 1 1 590 . 11 1 1 A 58 58 GLN CA C 58 60.200 59.303 0.897 1 1 591 . 11 1 1 A 58 58 GLN CB C 58 28.500 28.255 0.245 1 1 593 . 11 1 1 A 58 58 GLN N N 58 118.800 119.101 -0.301 1 1 595 . 11 1 1 A 59 59 GLN H H 59 8.300 7.801 0.499 1 1 596 . 11 1 1 A 59 59 GLN HA H 59 4.090 4.068 0.022 1 1 601 . 11 1 1 A 59 59 GLN C C 59 179.900 178.995 0.905 1 1 602 . 11 1 1 A 59 59 GLN CA C 59 58.900 58.714 0.186 1 1 603 . 11 1 1 A 59 59 GLN CB C 59 28.800 28.442 0.358 1 1 605 . 11 1 1 A 59 59 GLN N N 59 118.600 118.963 -0.363 1 1 606 . 11 1 1 A 60 60 ALA H H 60 7.850 8.021 -0.171 1 1 607 . 11 1 1 A 60 60 ALA HA H 60 3.580 4.005 -0.425 1 1 611 . 11 1 1 A 60 60 ALA C C 60 176.700 179.137 -2.437 1 1 612 . 11 1 1 A 60 60 ALA CA C 60 54.700 53.843 0.857 1 1 613 . 11 1 1 A 60 60 ALA CB C 60 17.400 18.034 -0.634 1 1 614 . 11 1 1 A 60 60 ALA N N 60 122.500 121.886 0.614 1 1 615 . 11 1 1 A 61 61 ALA H H 61 7.540 7.301 0.239 1 1 616 . 11 1 1 A 61 61 ALA HA H 61 3.970 4.274 -0.304 1 1 620 . 11 1 1 A 61 61 ALA C C 61 176.300 177.925 -1.625 1 1 621 . 11 1 1 A 61 61 ALA CA C 61 52.400 51.890 0.510 1 1 622 . 11 1 1 A 61 61 ALA CB C 61 19.100 19.173 -0.073 1 1 623 . 11 1 1 A 61 61 ALA N N 61 113.700 118.033 -4.333 1 1 624 . 11 1 1 A 62 62 GLY H H 62 7.600 7.692 -0.092 1 1 625 . 11 1 1 A 62 62 GLY HA2 H 62 3.890 3.901 -0.011 1 1 626 . 11 1 1 A 62 62 GLY HA3 H 62 3.980 3.904 0.076 1 1 627 . 11 1 1 A 62 62 GLY C C 62 175.400 175.472 -0.072 1 1 628 . 11 1 1 A 62 62 GLY CA C 62 45.800 45.364 0.436 1 1 629 . 11 1 1 A 62 62 GLY N N 62 104.800 106.162 -1.362 1 1 630 . 11 1 1 A 63 63 LEU H H 63 7.770 7.899 -0.129 1 1 631 . 11 1 1 A 63 63 LEU HA H 63 4.430 4.461 -0.031 1 1 640 . 11 1 1 A 63 63 LEU C C 63 176.400 177.249 -0.849 1 1 641 . 11 1 1 A 63 63 LEU CA C 63 54.000 54.525 -0.525 1 1 642 . 11 1 1 A 63 63 LEU CB C 63 42.500 41.250 1.250 1 1 645 . 11 1 1 A 63 63 LEU N N 63 119.100 121.435 -2.335 1 1 646 . 11 1 1 A 64 64 ALA H H 64 8.060 8.087 -0.027 1 1 647 . 11 1 1 A 64 64 ALA HA H 64 4.160 4.453 -0.293 1 1 651 . 11 1 1 A 64 64 ALA C C 64 177.300 177.194 0.106 1 1 652 . 11 1 1 A 64 64 ALA CA C 64 52.700 52.103 0.597 1 1 653 . 11 1 1 A 64 64 ALA CB C 64 19.700 19.991 -0.291 1 1 654 . 11 1 1 A 64 64 ALA N N 64 122.900 121.142 1.758 1 1 655 . 11 1 1 A 65 65 GLU H H 65 8.260 7.371 0.889 1 1 656 . 11 1 1 A 65 65 GLU C C 65 176.300 175.507 0.793 1 1 657 . 11 1 1 A 65 65 GLU CA C 65 56.400 54.732 1.668 1 1 658 . 11 1 1 A 65 65 GLU CB C 65 30.100 31.617 -1.517 1 1 659 . 11 1 1 A 65 65 GLU N N 65 118.900 116.893 2.007 1 1 660 . 11 1 1 A 66 66 VAL H H 66 7.960 8.823 -0.863 1 1 661 . 11 1 1 A 66 66 VAL HA H 66 4.020 4.785 -0.765 1 1 663 . 11 1 1 A 66 66 VAL C C 66 175.900 174.408 1.492 1 1 664 . 11 1 1 A 66 66 VAL CA C 66 62.300 59.442 2.858 1 1 665 . 11 1 1 A 66 66 VAL CB C 66 32.800 35.141 -2.341 1 1 666 . 11 1 1 A 66 66 VAL N N 66 121.500 119.111 2.389 1 1 667 . 11 1 1 A 67 67 VAL H H 67 8.210 8.742 -0.532 1 1 668 . 11 1 1 A 67 67 VAL C C 67 175.800 176.449 -0.649 1 1 669 . 11 1 1 A 67 67 VAL CA C 67 62.200 62.054 0.146 1 1 670 . 11 1 1 A 67 67 VAL CB C 67 32.600 32.161 0.439 1 1 671 . 11 1 1 A 67 67 VAL N N 67 124.900 125.283 -0.383 1 1 672 . 11 1 1 A 68 68 ARG H H 68 8.380 8.296 0.084 1 1 673 . 11 1 1 A 68 68 ARG HA H 68 4.270 4.249 0.021 1 1 674 . 11 1 1 A 68 68 ARG C C 68 175.400 176.061 -0.661 1 1 675 . 11 1 1 A 68 68 ARG CA C 68 55.700 57.120 -1.420 1 1 676 . 11 1 1 A 68 68 ARG CB C 68 31.100 30.385 0.715 1 1 677 . 11 1 1 A 68 68 ARG N N 68 125.900 124.798 1.102 1 1 678 . 11 1 1 A 69 69 ASP H H 69 8.390 8.521 -0.131 1 1 679 . 11 1 1 A 69 69 ASP HA H 69 4.800 4.698 0.102 1 1 682 . 11 1 1 A 69 69 ASP CA C 69 51.700 51.665 0.035 1 1 683 . 11 1 1 A 69 69 ASP CB C 69 41.700 41.785 -0.085 1 1 684 . 11 1 1 A 69 69 ASP N N 69 123.600 123.715 -0.115 1 1 685 . 11 1 1 A 70 70 PRO HA H 70 4.290 4.752 -0.462 1 1 688 . 11 1 1 A 70 70 PRO C C 70 177.500 177.540 -0.040 1 1 689 . 11 1 1 A 70 70 PRO CA C 70 64.100 62.510 1.590 1 1 690 . 11 1 1 A 70 70 PRO CB C 70 32.300 31.280 1.020 1 1 691 . 11 1 1 A 71 71 LEU H H 71 8.280 8.738 -0.458 1 1 692 . 11 1 1 A 71 71 LEU HA H 71 4.260 4.337 -0.077 1 1 698 . 11 1 1 A 71 71 LEU C C 71 177.600 177.646 -0.046 1 1 699 . 11 1 1 A 71 71 LEU CA C 71 55.100 57.292 -2.192 1 1 700 . 11 1 1 A 71 71 LEU CB C 71 41.200 41.834 -0.634 1 1 702 . 11 1 1 A 71 71 LEU N N 71 118.400 126.485 -8.085 1 1 703 . 11 1 1 A 72 72 ALA H H 72 7.660 7.568 0.092 1 1 704 . 11 1 1 A 72 72 ALA HA H 72 4.170 4.398 -0.228 1 1 708 . 11 1 1 A 72 72 ALA C C 72 177.400 176.139 1.261 1 1 709 . 11 1 1 A 72 72 ALA CA C 72 52.600 51.179 1.421 1 1 710 . 11 1 1 A 72 72 ALA CB C 72 19.200 17.615 1.585 1 1 711 . 11 1 1 A 72 72 ALA N N 72 122.900 119.170 3.730 1 1 712 . 11 1 1 A 73 73 PHE H H 73 7.940 7.663 0.277 1 1 713 . 11 1 1 A 73 73 PHE HA H 73 4.510 4.864 -0.354 1 1 717 . 11 1 1 A 73 73 PHE C C 73 175.600 175.605 -0.005 1 1 718 . 11 1 1 A 73 73 PHE CA C 73 57.800 55.475 2.325 1 1 719 . 11 1 1 A 73 73 PHE CB C 73 39.100 40.421 -1.321 1 1 720 . 11 1 1 A 73 73 PHE N N 73 118.200 117.185 1.015 1 1 721 . 11 1 1 A 74 74 LEU H H 74 7.890 8.458 -0.568 1 1 722 . 11 1 1 A 74 74 LEU CA C 74 55.200 56.039 -0.839 1 1 723 . 11 1 1 A 74 74 LEU CB C 74 42.400 42.509 -0.109 1 1 724 . 11 1 1 A 74 74 LEU N N 74 122.600 122.411 0.189 1 1 725 . 11 1 1 A 78 78 GLU C C 78 176.600 175.280 1.320 1 1 726 . 11 1 1 A 78 78 GLU CA C 78 57.500 55.623 1.877 1 1 727 . 11 1 1 A 78 78 GLU CB C 78 30.100 29.610 0.490 1 1 728 . 11 1 1 A 79 79 ALA H H 79 8.460 8.577 -0.117 1 1 729 . 11 1 1 A 79 79 ALA C C 79 178.300 177.748 0.552 1 1 730 . 11 1 1 A 79 79 ALA CA C 79 52.900 51.721 1.179 1 1 731 . 11 1 1 A 79 79 ALA CB C 79 19.200 20.743 -1.543 1 1 732 . 11 1 1 A 79 79 ALA N N 79 124.700 128.678 -3.978 1 1 733 . 11 1 1 A 80 80 GLY H H 80 8.330 8.506 -0.176 1 1 734 . 11 1 1 A 80 80 GLY C C 80 174.100 173.738 0.362 1 1 735 . 11 1 1 A 80 80 GLY CA C 80 45.100 47.480 -2.380 1 1 736 . 11 1 1 A 80 80 GLY N N 80 108.200 106.530 1.670 1 1 737 . 11 1 1 A 81 81 ALA H H 81 8.140 7.898 0.242 1 1 738 . 11 1 1 A 81 81 ALA HA H 81 4.170 4.853 -0.683 1 1 739 . 11 1 1 A 81 81 ALA C C 81 178.400 176.622 1.778 1 1 740 . 11 1 1 A 81 81 ALA CA C 81 52.800 51.457 1.343 1 1 741 . 11 1 1 A 81 81 ALA CB C 81 19.200 22.600 -3.400 1 1 742 . 11 1 1 A 81 81 ALA N N 81 123.600 123.848 -0.248 1 1 743 . 11 1 1 A 82 82 GLY H H 82 8.400 8.971 -0.571 1 1 744 . 11 1 1 A 82 82 GLY HA2 H 82 3.860 3.834 0.026 1 1 745 . 11 1 1 A 82 82 GLY HA3 H 82 2.880 3.834 -0.954 1 1 746 . 11 1 1 A 82 82 GLY C C 82 173.600 173.920 -0.320 1 1 747 . 11 1 1 A 82 82 GLY CA C 82 45.200 47.337 -2.137 1 1 748 . 11 1 1 A 82 82 GLY N N 82 108.000 110.807 -2.807 1 1 749 . 11 1 1 A 83 83 ALA H H 83 7.980 7.774 0.206 1 1 750 . 11 1 1 A 83 83 ALA HA H 83 4.280 4.710 -0.430 1 1 754 . 11 1 1 A 83 83 ALA C C 83 177.200 175.936 1.264 1 1 755 . 11 1 1 A 83 83 ALA CA C 83 52.100 51.041 1.059 1 1 756 . 11 1 1 A 83 83 ALA CB C 83 19.500 22.772 -3.272 1 1 757 . 11 1 1 A 83 83 ALA N N 83 123.300 123.152 0.148 1 1 758 . 11 1 1 A 84 84 ARG H H 84 8.240 8.376 -0.136 1 1 759 . 11 1 1 A 84 84 ARG HA H 84 4.610 4.473 0.137 1 1 762 . 11 1 1 A 84 84 ARG CA C 84 54.000 55.009 -1.009 1 1 763 . 11 1 1 A 84 84 ARG CB C 84 30.500 30.515 -0.015 1 1 764 . 11 1 1 A 84 84 ARG N N 84 121.700 119.767 1.933 1 1 765 . 11 1 1 A 85 85 PRO HA H 85 4.390 4.472 -0.082 1 1 770 . 11 1 1 A 85 85 PRO C C 85 177.000 176.610 0.390 1 1 771 . 11 1 1 A 85 85 PRO CA C 85 62.900 63.840 -0.940 1 1 772 . 11 1 1 A 85 85 PRO CB C 85 32.200 31.967 0.233 1 1 773 . 11 1 1 A 86 86 ALA H H 86 8.600 7.599 1.001 1 1 774 . 11 1 1 A 86 86 ALA HA H 86 4.150 4.281 -0.131 1 1 778 . 11 1 1 A 86 86 ALA C C 86 177.800 176.714 1.086 1 1 779 . 11 1 1 A 86 86 ALA CA C 86 53.400 52.027 1.373 1 1 780 . 11 1 1 A 86 86 ALA CB C 86 18.900 19.039 -0.139 1 1 781 . 11 1 1 A 86 86 ALA N N 86 124.900 121.825 3.075 1 1 782 . 11 1 1 A 87 87 ASN H H 87 8.380 8.122 0.258 1 1 783 . 11 1 1 A 87 87 ASN HA H 87 4.590 4.296 0.294 1 1 786 . 11 1 1 A 87 87 ASN C C 87 174.400 174.555 -0.155 1 1 787 . 11 1 1 A 87 87 ASN CA C 87 52.600 54.478 -1.878 1 1 788 . 11 1 1 A 87 87 ASN CB C 87 38.300 36.828 1.472 1 1 789 . 11 1 1 A 87 87 ASN N N 87 114.900 114.202 0.698 1 1 790 . 11 1 1 A 88 88 ALA H H 88 7.800 7.662 0.138 1 1 791 . 11 1 1 A 88 88 ALA HA H 88 4.400 4.350 0.050 1 1 795 . 11 1 1 A 88 88 ALA CA C 88 50.400 50.903 -0.503 1 1 796 . 11 1 1 A 88 88 ALA CB C 88 17.900 18.767 -0.867 1 1 797 . 11 1 1 A 88 88 ALA N N 88 123.600 120.245 3.355 1 1 798 . 11 1 1 A 89 89 PRO HA H 89 4.390 4.517 -0.127 1 1 805 . 11 1 1 A 89 89 PRO C C 89 175.000 177.637 -2.637 1 1 806 . 11 1 1 A 89 89 PRO CA C 89 62.400 63.255 -0.855 1 1 807 . 11 1 1 A 89 89 PRO CB C 89 31.700 32.226 -0.526 1 1 810 . 11 1 1 A 90 90 GLU H H 90 9.000 9.089 -0.089 1 1 811 . 11 1 1 A 90 90 GLU HA H 90 4.310 4.149 0.161 1 1 814 . 11 1 1 A 90 90 GLU C C 90 177.300 176.269 1.031 1 1 815 . 11 1 1 A 90 90 GLU CA C 90 58.000 59.239 -1.239 1 1 816 . 11 1 1 A 90 90 GLU CB C 90 31.400 31.543 -0.143 1 1 817 . 11 1 1 A 90 90 GLU N N 90 117.700 120.876 -3.176 1 1 818 . 11 1 1 A 91 91 VAL H H 91 7.310 7.342 -0.032 1 1 819 . 11 1 1 A 91 91 VAL HA H 91 4.570 4.965 -0.395 1 1 827 . 11 1 1 A 91 91 VAL C C 91 171.000 173.039 -2.039 1 1 828 . 11 1 1 A 91 91 VAL CA C 91 59.700 60.065 -0.365 1 1 829 . 11 1 1 A 91 91 VAL CB C 91 35.600 35.602 -0.002 1 1 832 . 11 1 1 A 91 91 VAL N N 91 115.900 116.468 -0.568 1 1 833 . 11 1 1 A 92 92 LEU H H 92 8.700 9.520 -0.820 1 1 834 . 11 1 1 A 92 92 LEU HA H 92 4.950 5.322 -0.372 1 1 844 . 11 1 1 A 92 92 LEU C C 92 174.300 174.459 -0.159 1 1 845 . 11 1 1 A 92 92 LEU CA C 92 52.700 53.353 -0.653 1 1 846 . 11 1 1 A 92 92 LEU CB C 92 44.100 44.956 -0.856 1 1 850 . 11 1 1 A 92 92 LEU N N 92 128.500 129.778 -1.278 1 1 851 . 11 1 1 A 93 93 LEU H H 93 8.770 9.663 -0.893 1 1 852 . 11 1 1 A 93 93 LEU HA H 93 4.910 5.199 -0.289 1 1 862 . 11 1 1 A 93 93 LEU C C 93 174.900 175.232 -0.332 1 1 863 . 11 1 1 A 93 93 LEU CA C 93 52.600 53.599 -0.999 1 1 864 . 11 1 1 A 93 93 LEU CB C 93 44.300 43.020 1.280 1 1 868 . 11 1 1 A 93 93 LEU N N 93 127.300 128.544 -1.244 1 1 869 . 11 1 1 A 94 94 VAL H H 94 8.800 9.352 -0.552 1 1 870 . 11 1 1 A 94 94 VAL HA H 94 4.880 4.461 0.419 1 1 878 . 11 1 1 A 94 94 VAL C C 94 175.000 175.201 -0.201 1 1 879 . 11 1 1 A 94 94 VAL CA C 94 60.000 61.334 -1.334 1 1 880 . 11 1 1 A 94 94 VAL CB C 94 33.900 32.987 0.913 1 1 883 . 11 1 1 A 94 94 VAL N N 94 122.000 126.033 -4.033 1 1 884 . 11 1 1 A 95 95 GLY H H 95 9.730 9.563 0.167 1 1 885 . 11 1 1 A 95 95 GLY HA2 H 95 3.240 4.060 -0.820 1 1 886 . 11 1 1 A 95 95 GLY HA3 H 95 4.940 4.065 0.875 1 1 887 . 11 1 1 A 95 95 GLY C C 95 175.000 174.862 0.138 1 1 888 . 11 1 1 A 95 95 GLY CA C 95 45.500 45.441 0.059 1 1 889 . 11 1 1 A 95 95 GLY N N 95 114.000 115.543 -1.543 1 1 890 . 11 1 1 A 96 96 THR H H 96 9.320 8.444 0.876 1 1 891 . 11 1 1 A 96 96 THR HA H 96 4.210 4.822 -0.612 1 1 896 . 11 1 1 A 96 96 THR C C 96 173.000 175.789 -2.789 1 1 897 . 11 1 1 A 96 96 THR CA C 96 61.800 60.350 1.450 1 1 898 . 11 1 1 A 96 96 THR CB C 96 67.600 68.701 -1.101 1 1 900 . 11 1 1 A 96 96 THR N N 96 113.800 115.682 -1.882 1 1 901 . 11 1 1 A 97 97 GLY H H 97 8.600 8.536 0.064 1 1 902 . 11 1 1 A 97 97 GLY HA2 H 97 3.580 3.886 -0.306 1 1 903 . 11 1 1 A 97 97 GLY HA3 H 97 4.500 3.902 0.598 1 1 904 . 11 1 1 A 97 97 GLY C C 97 174.800 175.702 -0.902 1 1 905 . 11 1 1 A 97 97 GLY CA C 97 44.000 47.343 -3.343 1 1 906 . 11 1 1 A 97 97 GLY N N 97 110.900 111.077 -0.177 1 1 907 . 11 1 1 A 98 98 ARG H H 98 9.400 7.724 1.676 1 1 908 . 11 1 1 A 98 98 ARG HA H 98 4.110 4.143 -0.033 1 1 911 . 11 1 1 A 98 98 ARG C C 98 175.700 176.359 -0.659 1 1 912 . 11 1 1 A 98 98 ARG CA C 98 58.800 58.559 0.241 1 1 913 . 11 1 1 A 98 98 ARG CB C 98 30.700 30.811 -0.111 1 1 914 . 11 1 1 A 98 98 ARG N N 98 125.500 121.451 4.049 1 1 915 . 11 1 1 A 99 99 ARG H H 99 8.180 7.401 0.779 1 1 916 . 11 1 1 A 99 99 ARG HA H 99 4.640 4.561 0.079 1 1 919 . 11 1 1 A 99 99 ARG C C 99 175.000 174.468 0.532 1 1 920 . 11 1 1 A 99 99 ARG CA C 99 53.100 55.913 -2.813 1 1 921 . 11 1 1 A 99 99 ARG CB C 99 33.200 31.759 1.441 1 1 922 . 11 1 1 A 99 99 ARG N N 99 114.300 118.906 -4.606 1 1 923 . 11 1 1 A 100 100 GLN H H 100 8.710 8.953 -0.243 1 1 924 . 11 1 1 A 100 100 GLN HA H 100 3.620 4.887 -1.267 1 1 929 . 11 1 1 A 100 100 GLN C C 100 173.900 174.756 -0.856 1 1 930 . 11 1 1 A 100 100 GLN CA C 100 56.400 56.614 -0.214 1 1 931 . 11 1 1 A 100 100 GLN CB C 100 29.600 29.372 0.228 1 1 933 . 11 1 1 A 100 100 GLN N N 100 121.700 128.108 -6.408 1 1 934 . 11 1 1 A 101 101 HIS H H 101 7.900 8.564 -0.664 1 1 935 . 11 1 1 A 101 101 HIS HA H 101 4.530 5.303 -0.773 1 1 939 . 11 1 1 A 101 101 HIS C C 101 173.100 173.839 -0.739 1 1 940 . 11 1 1 A 101 101 HIS CA C 101 55.100 54.138 0.962 1 1 941 . 11 1 1 A 101 101 HIS CB C 101 32.100 31.890 0.210 1 1 942 . 11 1 1 A 101 101 HIS N N 101 130.600 127.140 3.460 1 1 943 . 11 1 1 A 102 102 LEU H H 102 8.080 8.540 -0.460 1 1 944 . 11 1 1 A 102 102 LEU HA H 102 4.060 4.603 -0.543 1 1 948 . 11 1 1 A 102 102 LEU C C 102 177.200 175.523 1.677 1 1 949 . 11 1 1 A 102 102 LEU CA C 102 54.900 54.558 0.342 1 1 950 . 11 1 1 A 102 102 LEU CB C 102 41.600 42.939 -1.339 1 1 951 . 11 1 1 A 102 102 LEU N N 102 121.400 129.546 -8.146 1 1 952 . 11 1 1 A 103 103 LEU H H 103 8.260 8.685 -0.425 1 1 953 . 11 1 1 A 103 103 LEU HA H 103 4.490 4.598 -0.108 1 1 963 . 11 1 1 A 103 103 LEU C C 103 177.100 177.471 -0.371 1 1 964 . 11 1 1 A 103 103 LEU CA C 103 53.400 55.019 -1.619 1 1 965 . 11 1 1 A 103 103 LEU CB C 103 42.600 42.258 0.342 1 1 969 . 11 1 1 A 103 103 LEU N N 103 123.000 128.421 -5.421 1 1 970 . 11 1 1 A 104 104 GLY H H 104 8.820 8.567 0.253 1 1 971 . 11 1 1 A 104 104 GLY HA2 H 104 3.930 4.206 -0.276 1 1 972 . 11 1 1 A 104 104 GLY HA3 H 104 4.440 4.214 0.226 1 1 973 . 11 1 1 A 104 104 GLY CA C 104 44.500 43.642 0.858 1 1 974 . 11 1 1 A 104 104 GLY N N 104 110.200 109.449 0.751 1 1 975 . 11 1 1 A 105 105 PRO HA H 105 4.230 4.264 -0.034 1 1 978 . 11 1 1 A 105 105 PRO C C 105 178.900 177.999 0.901 1 1 979 . 11 1 1 A 105 105 PRO CA C 105 65.200 65.367 -0.167 1 1 980 . 11 1 1 A 105 105 PRO CB C 105 31.900 31.761 0.139 1 1 981 . 11 1 1 A 106 106 GLU H H 106 9.150 8.045 1.105 1 1 982 . 11 1 1 A 106 106 GLU HA H 106 4.080 4.167 -0.087 1 1 987 . 11 1 1 A 106 106 GLU C C 106 178.500 179.184 -0.684 1 1 988 . 11 1 1 A 106 106 GLU CA C 106 58.600 59.596 -0.996 1 1 989 . 11 1 1 A 106 106 GLU CB C 106 28.500 29.147 -0.647 1 1 991 . 11 1 1 A 106 106 GLU N N 106 115.400 118.160 -2.760 1 1 992 . 11 1 1 A 107 107 GLN H H 107 7.680 7.939 -0.259 1 1 993 . 11 1 1 A 107 107 GLN HA H 107 4.160 4.139 0.021 1 1 998 . 11 1 1 A 107 107 GLN C C 107 175.200 177.769 -2.569 1 1 999 . 11 1 1 A 107 107 GLN CA C 107 58.500 58.464 0.036 1 1 1000 . 11 1 1 A 107 107 GLN CB C 107 29.400 28.960 0.440 1 1 1002 . 11 1 1 A 107 107 GLN N N 107 116.100 118.596 -2.496 1 1 1003 . 11 1 1 A 108 108 VAL H H 108 7.080 7.431 -0.351 1 1 1004 . 11 1 1 A 108 108 VAL HA H 108 4.270 4.141 0.129 1 1 1012 . 11 1 1 A 108 108 VAL C C 108 177.500 177.565 -0.065 1 1 1013 . 11 1 1 A 108 108 VAL CA C 108 62.000 62.740 -0.740 1 1 1014 . 11 1 1 A 108 108 VAL CB C 108 33.000 32.252 0.748 1 1 1017 . 11 1 1 A 108 108 VAL N N 108 104.800 115.464 -10.664 1 1 1018 . 11 1 1 A 109 109 ARG H H 109 8.220 7.619 0.601 1 1 1019 . 11 1 1 A 109 109 ARG HA H 109 4.060 4.102 -0.042 1 1 1024 . 11 1 1 A 109 109 ARG CA C 109 61.700 61.153 0.547 1 1 1025 . 11 1 1 A 109 109 ARG CB C 109 27.600 28.994 -1.394 1 1 1027 . 11 1 1 A 109 109 ARG N N 109 123.100 122.555 0.545 1 1 1028 . 11 1 1 A 110 110 PRO HA H 110 4.290 4.333 -0.043 1 1 1035 . 11 1 1 A 110 110 PRO C C 110 173.000 178.830 -5.830 1 1 1036 . 11 1 1 A 110 110 PRO CA C 110 65.800 65.684 0.116 1 1 1037 . 11 1 1 A 110 110 PRO CB C 110 31.400 30.774 0.626 1 1 1040 . 11 1 1 A 111 111 LEU H H 111 7.080 7.309 -0.229 1 1 1041 . 11 1 1 A 111 111 LEU HA H 111 4.050 4.145 -0.095 1 1 1051 . 11 1 1 A 111 111 LEU C C 111 178.800 179.050 -0.250 1 1 1052 . 11 1 1 A 111 111 LEU CA C 111 57.400 57.446 -0.046 1 1 1053 . 11 1 1 A 111 111 LEU CB C 111 40.100 41.595 -1.495 1 1 1056 . 11 1 1 A 111 111 LEU N N 111 117.700 117.360 0.340 1 1 1057 . 11 1 1 A 112 112 LEU H H 112 7.950 8.410 -0.460 1 1 1058 . 11 1 1 A 112 112 LEU HA H 112 4.050 3.986 0.064 1 1 1068 . 11 1 1 A 112 112 LEU C C 112 169.000 179.682 -10.682 1 1 1069 . 11 1 1 A 112 112 LEU CA C 112 58.000 57.830 0.170 1 1 1070 . 11 1 1 A 112 112 LEU CB C 112 41.100 40.680 0.420 1 1 1074 . 11 1 1 A 112 112 LEU N N 112 121.700 119.200 2.500 1 1 1075 . 11 1 1 A 113 113 ALA H H 113 8.230 8.169 0.061 1 1 1076 . 11 1 1 A 113 113 ALA HA H 113 4.110 4.100 0.010 1 1 1080 . 11 1 1 A 113 113 ALA C C 113 178.700 178.498 0.202 1 1 1081 . 11 1 1 A 113 113 ALA CA C 113 54.400 54.501 -0.101 1 1 1082 . 11 1 1 A 113 113 ALA CB C 113 18.100 18.317 -0.217 1 1 1083 . 11 1 1 A 113 113 ALA N N 113 120.900 122.524 -1.624 1 1 1084 . 11 1 1 A 114 114 MET H H 114 7.270 7.791 -0.521 1 1 1085 . 11 1 1 A 114 114 MET HA H 114 4.490 4.403 0.087 1 1 1093 . 11 1 1 A 114 114 MET C C 114 175.100 176.731 -1.631 1 1 1094 . 11 1 1 A 114 114 MET CA C 114 55.100 55.797 -0.697 1 1 1095 . 11 1 1 A 114 114 MET CB C 114 33.700 33.479 0.221 1 1 1098 . 11 1 1 A 114 114 MET N N 114 115.100 115.601 -0.501 1 1 1099 . 11 1 1 A 115 115 GLY H H 115 7.830 7.821 0.009 1 1 1100 . 11 1 1 A 115 115 GLY HA2 H 115 3.660 3.945 -0.285 1 1 1101 . 11 1 1 A 115 115 GLY HA3 H 115 4.060 3.945 0.115 1 1 1102 . 11 1 1 A 115 115 GLY C C 115 173.700 174.436 -0.736 1 1 1103 . 11 1 1 A 115 115 GLY CA C 115 45.600 45.176 0.424 1 1 1104 . 11 1 1 A 115 115 GLY N N 115 106.300 107.130 -0.830 1 1 1105 . 11 1 1 A 116 116 VAL H H 116 7.710 8.005 -0.295 1 1 1106 . 11 1 1 A 116 116 VAL HA H 116 3.820 4.188 -0.368 1 1 1114 . 11 1 1 A 116 116 VAL C C 116 174.800 175.472 -0.672 1 1 1115 . 11 1 1 A 116 116 VAL CA C 116 61.200 62.408 -1.208 1 1 1116 . 11 1 1 A 116 116 VAL CB C 116 32.800 32.207 0.593 1 1 1119 . 11 1 1 A 116 116 VAL N N 116 123.600 122.412 1.188 1 1 1120 . 11 1 1 A 117 117 GLY H H 117 7.730 9.210 -1.480 1 1 1121 . 11 1 1 A 117 117 GLY HA2 H 117 3.570 4.023 -0.453 1 1 1122 . 11 1 1 A 117 117 GLY HA3 H 117 4.040 4.025 0.015 1 1 1123 . 11 1 1 A 117 117 GLY C C 117 172.600 173.693 -1.093 1 1 1124 . 11 1 1 A 117 117 GLY CA C 117 45.500 45.210 0.290 1 1 1125 . 11 1 1 A 117 117 GLY N N 117 111.400 115.031 -3.631 1 1 1126 . 11 1 1 A 118 118 VAL H H 118 7.740 9.340 -1.600 1 1 1127 . 11 1 1 A 118 118 VAL HA H 118 5.100 4.450 0.650 1 1 1135 . 11 1 1 A 118 118 VAL C C 118 175.500 175.232 0.268 1 1 1136 . 11 1 1 A 118 118 VAL CA C 118 61.000 61.875 -0.875 1 1 1137 . 11 1 1 A 118 118 VAL CB C 118 34.300 32.463 1.837 1 1 1140 . 11 1 1 A 118 118 VAL N N 118 120.900 126.007 -5.107 1 1 1141 . 11 1 1 A 119 119 GLU H H 119 8.490 9.498 -1.008 1 1 1142 . 11 1 1 A 119 119 GLU HA H 119 4.630 4.940 -0.310 1 1 1147 . 11 1 1 A 119 119 GLU C C 119 173.500 175.324 -1.824 1 1 1148 . 11 1 1 A 119 119 GLU CA C 119 54.600 54.960 -0.360 1 1 1149 . 11 1 1 A 119 119 GLU CB C 119 32.300 31.482 0.818 1 1 1151 . 11 1 1 A 119 119 GLU N N 119 127.000 127.564 -0.564 1 1 1152 . 11 1 1 A 120 120 ALA H H 120 8.600 9.034 -0.434 1 1 1153 . 11 1 1 A 120 120 ALA HA H 120 5.530 4.887 0.643 1 1 1157 . 11 1 1 A 120 120 ALA C C 120 177.100 176.712 0.388 1 1 1158 . 11 1 1 A 120 120 ALA CA C 120 50.300 50.927 -0.627 1 1 1159 . 11 1 1 A 120 120 ALA CB C 120 20.800 20.401 0.399 1 1 1160 . 11 1 1 A 120 120 ALA N N 120 126.500 128.741 -2.241 1 1 1161 . 11 1 1 A 121 121 MET H H 121 9.430 9.333 0.097 1 1 1162 . 11 1 1 A 121 121 MET HA H 121 4.630 5.031 -0.401 1 1 1170 . 11 1 1 A 121 121 MET C C 121 173.300 174.023 -0.723 1 1 1171 . 11 1 1 A 121 121 MET CA C 121 54.600 54.195 0.405 1 1 1172 . 11 1 1 A 121 121 MET CB C 121 36.800 37.296 -0.496 1 1 1175 . 11 1 1 A 121 121 MET N N 121 120.400 121.504 -1.104 1 1 1176 . 11 1 1 A 122 122 ASP H H 122 8.460 8.751 -0.291 1 1 1177 . 11 1 1 A 122 122 ASP HA H 122 4.170 4.624 -0.454 1 1 1180 . 11 1 1 A 122 122 ASP C C 122 175.200 177.335 -2.135 1 1 1181 . 11 1 1 A 122 122 ASP CA C 122 55.000 54.243 0.757 1 1 1182 . 11 1 1 A 122 122 ASP CB C 122 41.000 42.922 -1.922 1 1 1183 . 11 1 1 A 122 122 ASP N N 122 116.700 121.272 -4.572 1 1 1184 . 11 1 1 A 123 123 THR H H 123 9.580 8.638 0.942 1 1 1185 . 11 1 1 A 123 123 THR HA H 123 3.670 3.999 -0.329 1 1 1191 . 11 1 1 A 123 123 THR C C 123 174.400 176.056 -1.656 1 1 1192 . 11 1 1 A 123 123 THR CA C 123 68.700 65.850 2.850 1 1 1193 . 11 1 1 A 123 123 THR CB C 123 68.800 69.121 -0.321 1 1 1195 . 11 1 1 A 123 123 THR N N 123 119.600 119.965 -0.365 1 1 1196 . 11 1 1 A 124 124 GLN H H 124 8.580 7.661 0.919 1 1 1197 . 11 1 1 A 124 124 GLN HA H 124 3.240 3.854 -0.614 1 1 1202 . 11 1 1 A 124 124 GLN C C 124 177.700 177.598 0.102 1 1 1203 . 11 1 1 A 124 124 GLN CA C 124 60.100 58.340 1.760 1 1 1204 . 11 1 1 A 124 124 GLN CB C 124 27.400 28.358 -0.958 1 1 1206 . 11 1 1 A 124 124 GLN N N 124 121.500 120.562 0.938 1 1 1207 . 11 1 1 A 125 125 ALA H H 125 8.210 8.129 0.081 1 1 1208 . 11 1 1 A 125 125 ALA HA H 125 3.960 4.105 -0.145 1 1 1212 . 11 1 1 A 125 125 ALA C C 125 167.800 180.042 -12.242 1 1 1213 . 11 1 1 A 125 125 ALA CA C 125 54.800 55.015 -0.215 1 1 1214 . 11 1 1 A 125 125 ALA CB C 125 18.700 18.025 0.675 1 1 1215 . 11 1 1 A 125 125 ALA N N 125 122.600 121.271 1.329 1 1 1216 . 11 1 1 A 126 126 ALA H H 126 8.900 8.360 0.540 1 1 1217 . 11 1 1 A 126 126 ALA HA H 126 4.110 4.073 0.037 1 1 1221 . 11 1 1 A 126 126 ALA C C 126 178.500 179.338 -0.838 1 1 1222 . 11 1 1 A 126 126 ALA CA C 126 55.300 54.834 0.466 1 1 1223 . 11 1 1 A 126 126 ALA CB C 126 18.100 18.520 -0.420 1 1 1224 . 11 1 1 A 126 126 ALA N N 126 124.600 120.046 4.554 1 1 1225 . 11 1 1 A 127 127 ALA H H 127 8.440 8.026 0.414 1 1 1226 . 11 1 1 A 127 127 ALA HA H 127 3.850 4.070 -0.220 1 1 1230 . 11 1 1 A 127 127 ALA C C 127 178.400 179.541 -1.141 1 1 1231 . 11 1 1 A 127 127 ALA CA C 127 55.500 55.224 0.276 1 1 1232 . 11 1 1 A 127 127 ALA CB C 127 18.500 18.213 0.287 1 1 1233 . 11 1 1 A 127 127 ALA N N 127 120.200 119.533 0.667 1 1 1234 . 11 1 1 A 128 128 ARG H H 128 7.790 8.033 -0.243 1 1 1235 . 11 1 1 A 128 128 ARG HA H 128 4.020 4.005 0.015 1 1 1240 . 11 1 1 A 128 128 ARG C C 128 179.400 178.992 0.408 1 1 1241 . 11 1 1 A 128 128 ARG CA C 128 59.600 59.537 0.063 1 1 1242 . 11 1 1 A 128 128 ARG CB C 128 30.800 29.660 1.140 1 1 1244 . 11 1 1 A 128 128 ARG N N 128 115.900 119.365 -3.465 1 1 1245 . 11 1 1 A 129 129 THR H H 129 8.440 8.302 0.138 1 1 1246 . 11 1 1 A 129 129 THR HA H 129 3.770 3.967 -0.197 1 1 1251 . 11 1 1 A 129 129 THR C C 129 175.300 175.830 -0.530 1 1 1252 . 11 1 1 A 129 129 THR CA C 129 67.300 66.564 0.736 1 1 1253 . 11 1 1 A 129 129 THR CB C 129 68.300 68.599 -0.299 1 1 1255 . 11 1 1 A 129 129 THR N N 129 116.400 115.541 0.859 1 1 1256 . 11 1 1 A 130 130 TYR H H 130 8.790 8.575 0.215 1 1 1257 . 11 1 1 A 130 130 TYR HA H 130 3.600 4.134 -0.534 1 1 1262 . 11 1 1 A 130 130 TYR C C 130 175.500 177.067 -1.567 1 1 1263 . 11 1 1 A 130 130 TYR CA C 130 62.600 62.031 0.569 1 1 1264 . 11 1 1 A 130 130 TYR CB C 130 37.500 38.580 -1.080 1 1 1265 . 11 1 1 A 130 130 TYR N N 130 123.500 123.080 0.420 1 1 1266 . 11 1 1 A 131 131 ASN H H 131 7.800 8.314 -0.514 1 1 1267 . 11 1 1 A 131 131 ASN HA H 131 4.220 4.243 -0.023 1 1 1270 . 11 1 1 A 131 131 ASN C C 131 179.200 178.045 1.155 1 1 1271 . 11 1 1 A 131 131 ASN CA C 131 55.500 56.563 -1.063 1 1 1272 . 11 1 1 A 131 131 ASN CB C 131 37.100 39.026 -1.926 1 1 1273 . 11 1 1 A 131 131 ASN N N 131 117.700 117.512 0.188 1 1 1274 . 11 1 1 A 132 132 ILE H H 132 7.520 7.816 -0.296 1 1 1275 . 11 1 1 A 132 132 ILE HA H 132 3.710 3.600 0.110 1 1 1285 . 11 1 1 A 132 132 ILE C C 132 178.100 178.313 -0.213 1 1 1286 . 11 1 1 A 132 132 ILE CA C 132 64.900 65.768 -0.868 1 1 1287 . 11 1 1 A 132 132 ILE CB C 132 38.500 38.236 0.264 1 1 1291 . 11 1 1 A 132 132 ILE N N 132 121.000 118.582 2.418 1 1 1292 . 11 1 1 A 133 133 LEU H H 133 8.420 8.391 0.029 1 1 1293 . 11 1 1 A 133 133 LEU HA H 133 3.910 3.916 -0.006 1 1 1303 . 11 1 1 A 133 133 LEU C C 133 179.600 179.374 0.226 1 1 1304 . 11 1 1 A 133 133 LEU CA C 133 57.900 57.920 -0.020 1 1 1305 . 11 1 1 A 133 133 LEU CB C 133 41.700 40.877 0.823 1 1 1309 . 11 1 1 A 133 133 LEU N N 133 120.500 118.427 2.073 1 1 1310 . 11 1 1 A 134 134 MET H H 134 8.990 8.449 0.541 1 1 1311 . 11 1 1 A 134 134 MET HA H 134 3.870 4.082 -0.212 1 1 1319 . 11 1 1 A 134 134 MET C C 134 167.400 177.912 -10.512 1 1 1320 . 11 1 1 A 134 134 MET CA C 134 58.400 58.102 0.298 1 1 1321 . 11 1 1 A 134 134 MET CB C 134 30.700 32.019 -1.319 1 1 1324 . 11 1 1 A 134 134 MET N N 134 119.900 118.587 1.313 1 1 1325 . 11 1 1 A 135 135 ALA H H 135 7.490 7.992 -0.502 1 1 1326 . 11 1 1 A 135 135 ALA HA H 135 4.060 3.938 0.122 1 1 1330 . 11 1 1 A 135 135 ALA C C 135 179.100 179.089 0.011 1 1 1331 . 11 1 1 A 135 135 ALA CA C 135 54.700 54.943 -0.243 1 1 1332 . 11 1 1 A 135 135 ALA CB C 135 18.000 18.212 -0.212 1 1 1333 . 11 1 1 A 135 135 ALA N N 135 124.600 121.119 3.481 1 1 1334 . 11 1 1 A 136 136 GLU H H 136 7.540 7.544 -0.004 1 1 1335 . 11 1 1 A 136 136 GLU HA H 136 4.230 4.269 -0.039 1 1 1340 . 11 1 1 A 136 136 GLU C C 136 176.900 176.988 -0.088 1 1 1341 . 11 1 1 A 136 136 GLU CA C 136 56.400 56.505 -0.105 1 1 1342 . 11 1 1 A 136 136 GLU CB C 136 30.300 29.908 0.392 1 1 1344 . 11 1 1 A 136 136 GLU N N 136 116.500 115.838 0.662 1 1 1345 . 11 1 1 A 137 137 GLY H H 137 7.870 7.876 -0.006 1 1 1346 . 11 1 1 A 137 137 GLY HA2 H 137 3.760 3.860 -0.100 1 1 1347 . 11 1 1 A 137 137 GLY HA3 H 137 4.140 3.868 0.272 1 1 1348 . 11 1 1 A 137 137 GLY C C 137 175.100 174.294 0.806 1 1 1349 . 11 1 1 A 137 137 GLY CA C 137 45.600 45.633 -0.033 1 1 1350 . 11 1 1 A 137 137 GLY N N 137 107.100 109.236 -2.136 1 1 1351 . 11 1 1 A 138 138 ARG H H 138 7.580 7.774 -0.194 1 1 1352 . 11 1 1 A 138 138 ARG HA H 138 4.270 4.404 -0.134 1 1 1357 . 11 1 1 A 138 138 ARG C C 138 176.900 175.777 1.123 1 1 1358 . 11 1 1 A 138 138 ARG CA C 138 54.500 55.346 -0.846 1 1 1359 . 11 1 1 A 138 138 ARG CB C 138 30.100 31.764 -1.664 1 1 1361 . 11 1 1 A 138 138 ARG N N 138 118.100 122.266 -4.166 1 1 1362 . 11 1 1 A 139 139 ARG H H 139 9.240 8.497 0.743 1 1 1363 . 11 1 1 A 139 139 ARG HA H 139 4.470 4.573 -0.103 1 1 1370 . 11 1 1 A 139 139 ARG C C 139 174.400 175.262 -0.862 1 1 1371 . 11 1 1 A 139 139 ARG CA C 139 55.700 56.132 -0.432 1 1 1372 . 11 1 1 A 139 139 ARG CB C 139 28.000 30.422 -2.422 1 1 1375 . 11 1 1 A 139 139 ARG N N 139 124.400 124.349 0.051 1 1 1376 . 11 1 1 A 140 140 VAL H H 140 7.250 8.645 -1.395 1 1 1377 . 11 1 1 A 140 140 VAL HA H 140 5.180 5.098 0.082 1 1 1385 . 11 1 1 A 140 140 VAL C C 140 172.800 174.055 -1.255 1 1 1386 . 11 1 1 A 140 140 VAL CA C 140 57.700 60.091 -2.391 1 1 1387 . 11 1 1 A 140 140 VAL CB C 140 34.700 35.418 -0.718 1 1 1390 . 11 1 1 A 140 140 VAL N N 140 121.900 122.687 -0.787 1 1 1391 . 11 1 1 A 141 141 VAL H H 141 8.180 8.737 -0.557 1 1 1392 . 11 1 1 A 141 141 VAL HA H 141 4.510 4.816 -0.306 1 1 1400 . 11 1 1 A 141 141 VAL C C 141 172.600 174.051 -1.451 1 1 1401 . 11 1 1 A 141 141 VAL CA C 141 60.300 60.648 -0.348 1 1 1402 . 11 1 1 A 141 141 VAL CB C 141 35.600 34.369 1.231 1 1 1405 . 11 1 1 A 141 141 VAL N N 141 123.900 128.082 -4.182 1 1 1406 . 11 1 1 A 142 142 VAL H H 142 8.430 8.394 0.036 1 1 1407 . 11 1 1 A 142 142 VAL HA H 142 5.220 4.856 0.364 1 1 1415 . 11 1 1 A 142 142 VAL C C 142 170.000 172.685 -2.685 1 1 1416 . 11 1 1 A 142 142 VAL CA C 142 57.600 58.835 -1.235 1 1 1417 . 11 1 1 A 142 142 VAL CB C 142 35.500 34.105 1.395 1 1 1420 . 11 1 1 A 142 142 VAL N N 142 124.600 127.730 -3.130 1 1 1421 . 11 1 1 A 143 143 ALA H H 143 8.220 9.059 -0.839 1 1 1422 . 11 1 1 A 143 143 ALA HA H 143 4.680 5.088 -0.408 1 1 1426 . 11 1 1 A 143 143 ALA C C 143 175.400 175.382 0.018 1 1 1427 . 11 1 1 A 143 143 ALA CA C 143 49.900 49.957 -0.057 1 1 1428 . 11 1 1 A 143 143 ALA CB C 143 19.600 20.208 -0.608 1 1 1429 . 11 1 1 A 143 143 ALA N N 143 129.100 130.067 -0.967 1 1 1430 . 11 1 1 A 144 144 LEU H H 144 9.070 9.198 -0.128 1 1 1431 . 11 1 1 A 144 144 LEU HA H 144 4.840 5.147 -0.307 1 1 1441 . 11 1 1 A 144 144 LEU CA C 144 53.400 53.633 -0.233 1 1 1442 . 11 1 1 A 144 144 LEU CB C 144 46.500 44.305 2.195 1 1 1445 . 11 1 1 A 144 144 LEU N N 144 119.600 123.679 -4.079 1 1 1446 . 11 1 1 A 145 145 LEU HA H 145 4.830 5.155 -0.325 1 1 1456 . 11 1 1 A 145 145 LEU CA C 145 51.800 51.434 0.366 1 1 1457 . 11 1 1 A 145 145 LEU CB C 145 41.700 43.867 -2.167 1 1 1461 . 11 1 1 A 146 146 PRO HA H 146 4.330 4.721 -0.391 1 1 1466 . 11 1 1 A 146 146 PRO C C 146 175.700 176.802 -1.102 1 1 1467 . 11 1 1 A 146 146 PRO CA C 146 62.800 62.486 0.314 1 1 1468 . 11 1 1 A 146 146 PRO CB C 146 31.500 32.689 -1.189 1 1 1470 . 11 1 1 A 147 147 ASP H H 147 8.660 9.160 -0.500 1 1 1471 . 11 1 1 A 147 147 ASP HA H 147 4.510 4.378 0.132 1 1 1474 . 11 1 1 A 147 147 ASP C C 147 176.300 175.770 0.530 1 1 1475 . 11 1 1 A 147 147 ASP CA C 147 54.300 54.486 -0.186 1 1 1476 . 11 1 1 A 147 147 ASP CB C 147 42.100 40.498 1.602 1 1 1477 . 11 1 1 A 147 147 ASP N N 147 120.700 119.740 0.960 1 1 1478 . 11 1 1 A 148 148 GLY H H 148 8.310 8.537 -0.227 1 1 1479 . 11 1 1 A 148 148 GLY HA2 H 148 4.020 4.017 0.003 1 1 1480 . 11 1 1 A 148 148 GLY HA3 H 148 4.050 4.018 0.032 1 1 1481 . 11 1 1 A 148 148 GLY C C 148 173.600 174.202 -0.602 1 1 1482 . 11 1 1 A 148 148 GLY CA C 148 45.200 45.423 -0.223 1 1 1483 . 11 1 1 A 148 148 GLY N N 148 109.400 109.429 -0.029 1 1 1484 . 11 1 1 A 149 149 ASP H H 149 8.550 8.031 0.519 1 1 1485 . 11 1 1 A 149 149 ASP HA H 149 4.650 4.693 -0.043 1 1 1488 . 11 1 1 A 149 149 ASP C C 149 176.700 175.675 1.025 1 1 1489 . 11 1 1 A 149 149 ASP CA C 149 54.500 54.470 0.030 1 1 1490 . 11 1 1 A 149 149 ASP CB C 149 41.600 42.247 -0.647 1 1 1491 . 11 1 1 A 149 149 ASP N N 149 120.800 122.799 -1.999 1 1 1492 . 11 1 1 A 150 150 SER H H 150 8.600 8.681 -0.081 1 1 1493 . 11 1 1 A 150 150 SER HA H 150 4.350 4.929 -0.579 1 1 1496 . 11 1 1 A 150 150 SER C C 150 175.000 174.649 0.351 1 1 1497 . 11 1 1 A 150 150 SER CA C 150 58.900 57.409 1.491 1 1 1498 . 11 1 1 A 150 150 SER CB C 150 63.500 66.794 -3.294 1 1 1499 . 11 1 1 A 150 150 SER N N 150 116.400 121.001 -4.601 1 1 1500 . 11 1 1 A 151 151 LEU H H 151 8.290 8.744 -0.454 1 1 1501 . 11 1 1 A 151 151 LEU CA C 151 55.500 58.667 -3.167 1 1 1502 . 11 1 1 A 151 151 LEU CB C 151 41.900 41.524 0.376 1 1 5 . 12 1 1 A 4 4 HIS C C 4 174.800 174.621 0.179 1 1 6 . 12 1 1 A 4 4 HIS CA C 4 55.900 59.383 -3.483 1 1 7 . 12 1 1 A 4 4 HIS CB C 4 30.000 30.378 -0.378 1 1 8 . 12 1 1 A 5 5 THR H H 5 7.990 7.848 0.142 1 1 9 . 12 1 1 A 5 5 THR C C 5 173.800 173.248 0.552 1 1 10 . 12 1 1 A 5 5 THR CA C 5 61.500 61.683 -0.183 1 1 11 . 12 1 1 A 5 5 THR CB C 5 69.900 71.316 -1.416 1 1 12 . 12 1 1 A 5 5 THR N N 5 115.300 110.087 5.213 1 1 13 . 12 1 1 A 6 6 ASP H H 6 8.370 9.057 -0.687 1 1 14 . 12 1 1 A 6 6 ASP HA H 6 4.860 4.903 -0.043 1 1 17 . 12 1 1 A 6 6 ASP CA C 6 52.500 52.400 0.100 1 1 18 . 12 1 1 A 6 6 ASP CB C 6 41.100 40.654 0.446 1 1 19 . 12 1 1 A 6 6 ASP N N 6 124.400 127.798 -3.398 1 1 20 . 12 1 1 A 7 7 PRO HA H 7 4.350 4.675 -0.325 1 1 26 . 12 1 1 A 7 7 PRO C C 7 176.900 176.012 0.888 1 1 27 . 12 1 1 A 7 7 PRO CA C 7 63.500 62.302 1.198 1 1 28 . 12 1 1 A 7 7 PRO CB C 7 32.100 32.946 -0.846 1 1 31 . 12 1 1 A 8 8 ALA H H 8 8.420 8.323 0.097 1 1 32 . 12 1 1 A 8 8 ALA HA H 8 4.260 4.730 -0.470 1 1 36 . 12 1 1 A 8 8 ALA C C 8 178.100 177.248 0.852 1 1 37 . 12 1 1 A 8 8 ALA CA C 8 52.900 51.142 1.758 1 1 38 . 12 1 1 A 8 8 ALA CB C 8 19.200 20.484 -1.284 1 1 39 . 12 1 1 A 8 8 ALA N N 8 122.700 122.060 0.640 1 1 40 . 12 1 1 A 9 9 THR H H 9 7.880 8.906 -1.026 1 1 41 . 12 1 1 A 9 9 THR HA H 9 4.230 4.215 0.015 1 1 46 . 12 1 1 A 9 9 THR C C 9 173.800 175.619 -1.819 1 1 47 . 12 1 1 A 9 9 THR CA C 9 61.700 63.775 -2.075 1 1 48 . 12 1 1 A 9 9 THR CB C 9 69.700 68.826 0.874 1 1 50 . 12 1 1 A 9 9 THR N N 9 112.900 117.658 -4.758 1 1 51 . 12 1 1 A 10 10 ALA H H 10 8.160 8.905 -0.745 1 1 52 . 12 1 1 A 10 10 ALA HA H 10 4.340 4.167 0.173 1 1 56 . 12 1 1 A 10 10 ALA C C 10 177.000 177.340 -0.340 1 1 57 . 12 1 1 A 10 10 ALA CA C 10 52.300 53.657 -1.357 1 1 58 . 12 1 1 A 10 10 ALA CB C 10 19.400 18.853 0.547 1 1 59 . 12 1 1 A 10 10 ALA N N 10 127.000 127.643 -0.643 1 1 60 . 12 1 1 A 11 11 LEU H H 11 8.040 7.817 0.223 1 1 61 . 12 1 1 A 11 11 LEU HA H 11 4.640 4.475 0.165 1 1 70 . 12 1 1 A 11 11 LEU C C 11 178.300 175.631 2.669 1 1 71 . 12 1 1 A 11 11 LEU CA C 11 54.000 54.026 -0.026 1 1 72 . 12 1 1 A 11 11 LEU CB C 11 42.900 41.724 1.176 1 1 75 . 12 1 1 A 11 11 LEU N N 11 121.500 117.665 3.835 1 1 76 . 12 1 1 A 12 12 ASN H H 12 9.700 9.056 0.644 1 1 77 . 12 1 1 A 12 12 ASN HA H 12 4.760 4.927 -0.167 1 1 80 . 12 1 1 A 12 12 ASN C C 12 174.700 174.194 0.506 1 1 81 . 12 1 1 A 12 12 ASN CA C 12 54.100 53.361 0.739 1 1 82 . 12 1 1 A 12 12 ASN CB C 12 38.100 38.750 -0.650 1 1 83 . 12 1 1 A 12 12 ASN N N 12 121.500 123.493 -1.993 1 1 84 . 12 1 1 A 13 13 THR H H 13 8.710 8.753 -0.043 1 1 85 . 12 1 1 A 13 13 THR HA H 13 4.760 4.953 -0.193 1 1 90 . 12 1 1 A 13 13 THR C C 13 173.600 173.363 0.237 1 1 91 . 12 1 1 A 13 13 THR CA C 13 61.900 61.684 0.216 1 1 92 . 12 1 1 A 13 13 THR CB C 13 71.500 72.585 -1.085 1 1 94 . 12 1 1 A 13 13 THR N N 13 121.800 121.676 0.124 1 1 95 . 12 1 1 A 14 14 VAL H H 14 9.500 9.060 0.440 1 1 96 . 12 1 1 A 14 14 VAL HA H 14 4.660 3.972 0.688 1 1 104 . 12 1 1 A 14 14 VAL C C 14 177.000 177.553 -0.553 1 1 105 . 12 1 1 A 14 14 VAL CA C 14 63.800 63.500 0.300 1 1 106 . 12 1 1 A 14 14 VAL CB C 14 30.600 31.903 -1.303 1 1 109 . 12 1 1 A 14 14 VAL N N 14 126.700 125.807 0.893 1 1 110 . 12 1 1 A 15 15 THR H H 15 8.900 8.993 -0.093 1 1 111 . 12 1 1 A 15 15 THR HA H 15 4.300 4.416 -0.116 1 1 116 . 12 1 1 A 15 15 THR C C 15 174.900 174.728 0.172 1 1 117 . 12 1 1 A 15 15 THR CA C 15 62.800 62.941 -0.141 1 1 118 . 12 1 1 A 15 15 THR CB C 15 68.700 69.263 -0.563 1 1 120 . 12 1 1 A 15 15 THR N N 15 122.000 119.472 2.528 1 1 121 . 12 1 1 A 16 16 ALA H H 16 7.960 7.757 0.203 1 1 122 . 12 1 1 A 16 16 ALA HA H 16 4.360 4.604 -0.244 1 1 126 . 12 1 1 A 16 16 ALA C C 16 174.400 176.942 -2.542 1 1 127 . 12 1 1 A 16 16 ALA CA C 16 52.600 51.245 1.355 1 1 128 . 12 1 1 A 16 16 ALA CB C 16 21.900 20.533 1.367 1 1 129 . 12 1 1 A 16 16 ALA N N 16 120.900 123.053 -2.153 1 1 130 . 12 1 1 A 17 17 TYR H H 17 7.790 9.129 -1.339 1 1 131 . 12 1 1 A 17 17 TYR HA H 17 4.390 4.070 0.320 1 1 136 . 12 1 1 A 17 17 TYR C C 17 173.000 175.724 -2.724 1 1 137 . 12 1 1 A 17 17 TYR CA C 17 56.400 61.733 -5.333 1 1 138 . 12 1 1 A 17 17 TYR CB C 17 39.700 39.153 0.547 1 1 141 . 12 1 1 A 17 17 TYR N N 17 114.800 124.927 -10.127 1 1 142 . 12 1 1 A 18 18 GLY H H 18 7.030 7.917 -0.887 1 1 143 . 12 1 1 A 18 18 GLY HA2 H 18 3.210 3.251 -0.041 1 1 144 . 12 1 1 A 18 18 GLY HA3 H 18 3.900 3.717 0.183 1 1 145 . 12 1 1 A 18 18 GLY C C 18 172.200 174.798 -2.598 1 1 146 . 12 1 1 A 18 18 GLY CA C 18 44.900 44.938 -0.038 1 1 147 . 12 1 1 A 18 18 GLY N N 18 108.600 107.289 1.311 1 1 148 . 12 1 1 A 19 19 ASP H H 19 8.410 7.779 0.631 1 1 149 . 12 1 1 A 19 19 ASP HA H 19 4.320 4.636 -0.316 1 1 152 . 12 1 1 A 19 19 ASP C C 19 176.500 177.532 -1.032 1 1 153 . 12 1 1 A 19 19 ASP CA C 19 55.600 55.315 0.285 1 1 154 . 12 1 1 A 19 19 ASP CB C 19 39.500 41.114 -1.614 1 1 155 . 12 1 1 A 19 19 ASP N N 19 120.400 123.185 -2.785 1 1 156 . 12 1 1 A 20 20 GLY H H 20 8.670 7.810 0.860 1 1 157 . 12 1 1 A 20 20 GLY HA2 H 20 3.670 3.928 -0.258 1 1 158 . 12 1 1 A 20 20 GLY HA3 H 20 4.210 4.027 0.183 1 1 159 . 12 1 1 A 20 20 GLY C C 20 173.900 173.622 0.278 1 1 160 . 12 1 1 A 20 20 GLY CA C 20 45.800 45.612 0.188 1 1 161 . 12 1 1 A 20 20 GLY N N 20 113.500 106.754 6.746 1 1 162 . 12 1 1 A 21 21 TYR H H 21 7.530 7.108 0.422 1 1 163 . 12 1 1 A 21 21 TYR HA H 21 5.480 5.119 0.361 1 1 168 . 12 1 1 A 21 21 TYR C C 21 172.800 172.721 0.079 1 1 169 . 12 1 1 A 21 21 TYR CA C 21 56.700 56.544 0.156 1 1 170 . 12 1 1 A 21 21 TYR CB C 21 41.400 40.578 0.822 1 1 173 . 12 1 1 A 21 21 TYR N N 21 114.300 116.595 -2.295 1 1 174 . 12 1 1 A 22 22 ILE H H 22 8.780 9.386 -0.606 1 1 175 . 12 1 1 A 22 22 ILE HA H 22 4.350 4.608 -0.258 1 1 185 . 12 1 1 A 22 22 ILE C C 22 173.800 174.411 -0.611 1 1 186 . 12 1 1 A 22 22 ILE CA C 22 60.200 60.261 -0.061 1 1 187 . 12 1 1 A 22 22 ILE CB C 22 41.700 38.543 3.157 1 1 191 . 12 1 1 A 22 22 ILE N N 22 119.300 125.306 -6.006 1 1 192 . 12 1 1 A 23 23 GLU H H 23 9.010 9.359 -0.349 1 1 193 . 12 1 1 A 23 23 GLU HA H 23 5.680 5.141 0.539 1 1 198 . 12 1 1 A 23 23 GLU C C 23 175.000 175.449 -0.449 1 1 199 . 12 1 1 A 23 23 GLU CA C 23 54.300 55.340 -1.040 1 1 200 . 12 1 1 A 23 23 GLU CB C 23 33.500 30.782 2.718 1 1 202 . 12 1 1 A 23 23 GLU N N 23 127.800 128.710 -0.910 1 1 203 . 12 1 1 A 24 24 VAL H H 24 8.980 8.939 0.041 1 1 204 . 12 1 1 A 24 24 VAL HA H 24 4.840 4.404 0.436 1 1 212 . 12 1 1 A 24 24 VAL C C 24 177.300 175.965 1.335 1 1 213 . 12 1 1 A 24 24 VAL CA C 24 60.600 61.178 -0.578 1 1 214 . 12 1 1 A 24 24 VAL CB C 24 33.600 32.998 0.602 1 1 217 . 12 1 1 A 24 24 VAL N N 24 125.400 127.731 -2.331 1 1 218 . 12 1 1 A 25 25 ASN H H 25 9.340 9.544 -0.204 1 1 219 . 12 1 1 A 25 25 ASN HA H 25 4.340 4.413 -0.073 1 1 222 . 12 1 1 A 25 25 ASN C C 25 173.800 174.519 -0.719 1 1 223 . 12 1 1 A 25 25 ASN CA C 25 54.600 54.798 -0.198 1 1 224 . 12 1 1 A 25 25 ASN CB C 25 36.600 37.000 -0.400 1 1 225 . 12 1 1 A 25 25 ASN N N 25 127.800 127.108 0.692 1 1 226 . 12 1 1 A 26 26 GLN H H 26 7.920 8.449 -0.529 1 1 227 . 12 1 1 A 26 26 GLN HA H 26 3.670 3.826 -0.156 1 1 232 . 12 1 1 A 26 26 GLN C C 26 174.400 174.647 -0.247 1 1 233 . 12 1 1 A 26 26 GLN CA C 26 58.100 57.276 0.824 1 1 234 . 12 1 1 A 26 26 GLN CB C 26 26.500 26.635 -0.135 1 1 236 . 12 1 1 A 26 26 GLN N N 26 104.100 108.624 -4.524 1 1 237 . 12 1 1 A 27 27 VAL H H 27 7.850 7.472 0.378 1 1 238 . 12 1 1 A 27 27 VAL HA H 27 3.900 3.992 -0.092 1 1 246 . 12 1 1 A 27 27 VAL C C 27 174.200 174.362 -0.162 1 1 247 . 12 1 1 A 27 27 VAL CA C 27 62.100 61.716 0.384 1 1 248 . 12 1 1 A 27 27 VAL CB C 27 32.500 32.429 0.071 1 1 251 . 12 1 1 A 27 27 VAL N N 27 123.100 119.714 3.386 1 1 252 . 12 1 1 A 28 28 ARG H H 28 8.430 8.759 -0.329 1 1 253 . 12 1 1 A 28 28 ARG HA H 28 4.320 4.738 -0.418 1 1 256 . 12 1 1 A 28 28 ARG C C 28 175.200 174.441 0.759 1 1 257 . 12 1 1 A 28 28 ARG CA C 28 57.100 54.941 2.159 1 1 258 . 12 1 1 A 28 28 ARG CB C 28 31.300 31.040 0.260 1 1 259 . 12 1 1 A 28 28 ARG N N 28 126.200 128.176 -1.976 1 1 260 . 12 1 1 A 29 29 PHE H H 29 9.290 9.614 -0.324 1 1 261 . 12 1 1 A 29 29 PHE HA H 29 4.580 5.061 -0.481 1 1 266 . 12 1 1 A 29 29 PHE C C 29 175.800 175.722 0.078 1 1 267 . 12 1 1 A 29 29 PHE CA C 29 57.700 56.812 0.888 1 1 268 . 12 1 1 A 29 29 PHE CB C 29 42.000 40.081 1.919 1 1 271 . 12 1 1 A 29 29 PHE N N 29 123.900 125.984 -2.084 1 1 272 . 12 1 1 A 30 30 SER H H 30 8.950 9.031 -0.081 1 1 273 . 12 1 1 A 30 30 SER HA H 30 5.130 4.835 0.295 1 1 276 . 12 1 1 A 30 30 SER C C 30 172.900 173.771 -0.871 1 1 277 . 12 1 1 A 30 30 SER CA C 30 57.000 58.552 -1.552 1 1 278 . 12 1 1 A 30 30 SER CB C 30 63.200 63.647 -0.447 1 1 279 . 12 1 1 A 30 30 SER N N 30 119.400 120.411 -1.011 1 1 280 . 12 1 1 A 31 31 HIS H H 31 7.170 7.565 -0.395 1 1 281 . 12 1 1 A 31 31 HIS HA H 31 4.840 5.009 -0.169 1 1 284 . 12 1 1 A 31 31 HIS C C 31 171.900 173.089 -1.189 1 1 285 . 12 1 1 A 31 31 HIS CA C 31 53.200 54.168 -0.968 1 1 286 . 12 1 1 A 31 31 HIS CB C 31 31.100 31.651 -0.551 1 1 287 . 12 1 1 A 31 31 HIS N N 31 114.600 116.654 -2.054 1 1 288 . 12 1 1 A 32 32 ALA H H 32 8.930 8.418 0.512 1 1 289 . 12 1 1 A 32 32 ALA HA H 32 5.050 4.688 0.362 1 1 293 . 12 1 1 A 32 32 ALA C C 32 179.000 177.515 1.485 1 1 294 . 12 1 1 A 32 32 ALA CA C 32 53.700 52.607 1.093 1 1 295 . 12 1 1 A 32 32 ALA CB C 32 20.700 19.586 1.114 1 1 296 . 12 1 1 A 32 32 ALA N N 32 120.200 121.594 -1.394 1 1 297 . 12 1 1 A 33 33 ILE H H 33 8.280 8.582 -0.302 1 1 298 . 12 1 1 A 33 33 ILE HA H 33 5.520 4.933 0.587 1 1 308 . 12 1 1 A 33 33 ILE C C 33 173.400 174.315 -0.915 1 1 309 . 12 1 1 A 33 33 ILE CA C 33 59.500 59.350 0.150 1 1 310 . 12 1 1 A 33 33 ILE CB C 33 44.500 42.078 2.422 1 1 313 . 12 1 1 A 33 33 ILE N N 33 115.800 116.659 -0.859 1 1 314 . 12 1 1 A 34 34 ALA H H 34 8.900 8.908 -0.008 1 1 315 . 12 1 1 A 34 34 ALA HA H 34 5.290 5.395 -0.105 1 1 319 . 12 1 1 A 34 34 ALA C C 34 176.100 175.968 0.132 1 1 320 . 12 1 1 A 34 34 ALA CA C 34 51.100 50.337 0.763 1 1 321 . 12 1 1 A 34 34 ALA CB C 34 21.900 21.617 0.283 1 1 322 . 12 1 1 A 34 34 ALA N N 34 121.600 124.753 -3.153 1 1 323 . 12 1 1 A 35 35 PHE H H 35 8.580 8.287 0.293 1 1 324 . 12 1 1 A 35 35 PHE HA H 35 4.740 5.210 -0.470 1 1 330 . 12 1 1 A 35 35 PHE C C 35 170.000 172.779 -2.779 1 1 331 . 12 1 1 A 35 35 PHE CA C 35 57.100 55.880 1.220 1 1 332 . 12 1 1 A 35 35 PHE CB C 35 39.700 41.336 -1.636 1 1 336 . 12 1 1 A 35 35 PHE N N 35 116.600 116.962 -0.362 1 1 337 . 12 1 1 A 36 36 ALA H H 36 8.730 8.680 0.050 1 1 338 . 12 1 1 A 36 36 ALA HA H 36 5.170 5.418 -0.248 1 1 342 . 12 1 1 A 36 36 ALA CA C 36 49.100 49.823 -0.723 1 1 343 . 12 1 1 A 36 36 ALA CB C 36 20.500 21.330 -0.830 1 1 344 . 12 1 1 A 36 36 ALA N N 36 123.400 121.832 1.568 1 1 345 . 12 1 1 A 37 37 PRO HA H 37 4.740 4.497 0.243 1 1 350 . 12 1 1 A 37 37 PRO C C 37 176.500 176.863 -0.363 1 1 351 . 12 1 1 A 37 37 PRO CA C 37 66.200 65.312 0.888 1 1 352 . 12 1 1 A 37 37 PRO CB C 37 33.600 31.754 1.846 1 1 354 . 12 1 1 A 38 38 GLU H H 38 7.450 8.034 -0.584 1 1 355 . 12 1 1 A 38 38 GLU HA H 38 4.790 4.777 0.013 1 1 360 . 12 1 1 A 38 38 GLU C C 38 177.300 175.434 1.866 1 1 361 . 12 1 1 A 38 38 GLU CA C 38 54.200 55.106 -0.906 1 1 362 . 12 1 1 A 38 38 GLU CB C 38 32.600 31.064 1.536 1 1 364 . 12 1 1 A 38 38 GLU N N 38 110.100 116.336 -6.236 1 1 365 . 12 1 1 A 39 39 GLY H H 39 8.600 8.284 0.316 1 1 366 . 12 1 1 A 39 39 GLY HA2 H 39 3.920 4.164 -0.244 1 1 367 . 12 1 1 A 39 39 GLY HA3 H 39 4.440 4.172 0.268 1 1 368 . 12 1 1 A 39 39 GLY CA C 39 44.400 45.111 -0.711 1 1 369 . 12 1 1 A 39 39 GLY N N 39 109.500 112.900 -3.400 1 1 370 . 12 1 1 A 40 40 PRO HA H 40 4.550 4.804 -0.254 1 1 375 . 12 1 1 A 40 40 PRO C C 40 177.100 176.320 0.780 1 1 376 . 12 1 1 A 40 40 PRO CA C 40 62.500 62.507 -0.007 1 1 377 . 12 1 1 A 40 40 PRO CB C 40 32.700 32.461 0.239 1 1 378 . 12 1 1 A 41 41 VAL H H 41 8.530 8.484 0.046 1 1 379 . 12 1 1 A 41 41 VAL HA H 41 3.900 4.268 -0.368 1 1 387 . 12 1 1 A 41 41 VAL C C 41 175.200 175.573 -0.373 1 1 388 . 12 1 1 A 41 41 VAL CA C 41 63.000 61.868 1.132 1 1 389 . 12 1 1 A 41 41 VAL CB C 41 31.100 31.018 0.082 1 1 392 . 12 1 1 A 41 41 VAL N N 41 123.000 122.323 0.677 1 1 393 . 12 1 1 A 42 42 ALA H H 42 8.320 9.252 -0.932 1 1 394 . 12 1 1 A 42 42 ALA HA H 42 4.750 5.129 -0.379 1 1 398 . 12 1 1 A 42 42 ALA C C 42 177.400 176.507 0.893 1 1 399 . 12 1 1 A 42 42 ALA CA C 42 50.800 50.239 0.561 1 1 400 . 12 1 1 A 42 42 ALA CB C 42 21.400 20.546 0.854 1 1 401 . 12 1 1 A 42 42 ALA N N 42 131.300 131.417 -0.117 1 1 402 . 12 1 1 A 43 43 SER H H 43 8.660 8.759 -0.099 1 1 403 . 12 1 1 A 43 43 SER HA H 43 4.690 4.391 0.299 1 1 406 . 12 1 1 A 43 43 SER CA C 43 59.000 58.480 0.520 1 1 407 . 12 1 1 A 43 43 SER CB C 43 62.800 63.495 -0.695 1 1 408 . 12 1 1 A 43 43 SER N N 43 115.400 117.788 -2.388 1 1 409 . 12 1 1 A 44 44 TRP HA H 44 5.470 5.055 0.415 1 1 418 . 12 1 1 A 44 44 TRP CA C 44 52.200 55.603 -3.403 1 1 419 . 12 1 1 A 44 44 TRP CB C 44 31.000 31.005 -0.005 1 1 426 . 12 1 1 A 45 45 PRO HA H 45 4.550 4.443 0.107 1 1 431 . 12 1 1 A 45 45 PRO C C 45 173.000 176.156 -3.156 1 1 432 . 12 1 1 A 45 45 PRO CA C 45 63.300 63.669 -0.369 1 1 433 . 12 1 1 A 45 45 PRO CB C 45 27.800 31.429 -3.629 1 1 435 . 12 1 1 A 46 46 VAL H H 46 8.390 7.407 0.983 1 1 436 . 12 1 1 A 46 46 VAL HA H 46 3.770 3.894 -0.124 1 1 444 . 12 1 1 A 46 46 VAL C C 46 174.100 175.653 -1.553 1 1 445 . 12 1 1 A 46 46 VAL CA C 46 61.100 62.036 -0.936 1 1 446 . 12 1 1 A 46 46 VAL CB C 46 35.200 31.502 3.698 1 1 449 . 12 1 1 A 46 46 VAL N N 46 124.300 120.275 4.025 1 1 450 . 12 1 1 A 47 47 GLN H H 47 8.970 8.685 0.285 1 1 451 . 12 1 1 A 47 47 GLN HA H 47 4.430 4.494 -0.064 1 1 456 . 12 1 1 A 47 47 GLN C C 47 175.100 174.560 0.540 1 1 457 . 12 1 1 A 47 47 GLN CA C 47 56.400 56.889 -0.489 1 1 458 . 12 1 1 A 47 47 GLN CB C 47 30.900 30.806 0.094 1 1 459 . 12 1 1 A 47 47 GLN N N 47 122.000 127.432 -5.432 1 1 460 . 12 1 1 A 48 48 ARG H H 48 7.720 7.647 0.073 1 1 461 . 12 1 1 A 48 48 ARG HA H 48 4.750 4.767 -0.017 1 1 468 . 12 1 1 A 48 48 ARG CA C 48 52.800 52.938 -0.138 1 1 469 . 12 1 1 A 48 48 ARG CB C 48 30.500 31.517 -1.017 1 1 471 . 12 1 1 A 48 48 ARG N N 48 116.600 117.082 -0.482 1 1 472 . 12 1 1 A 49 49 PRO HA H 49 3.750 4.491 -0.741 1 1 477 . 12 1 1 A 49 49 PRO C C 49 177.500 176.854 0.646 1 1 478 . 12 1 1 A 49 49 PRO CA C 49 65.400 64.136 1.264 1 1 479 . 12 1 1 A 49 49 PRO CB C 49 30.700 31.745 -1.045 1 1 481 . 12 1 1 A 50 50 ALA H H 50 7.960 8.234 -0.274 1 1 482 . 12 1 1 A 50 50 ALA HA H 50 4.010 4.029 -0.019 1 1 486 . 12 1 1 A 50 50 ALA C C 50 177.300 178.037 -0.737 1 1 487 . 12 1 1 A 50 50 ALA CA C 50 53.800 53.605 0.195 1 1 488 . 12 1 1 A 50 50 ALA CB C 50 18.500 18.936 -0.436 1 1 489 . 12 1 1 A 50 50 ALA N N 50 117.200 121.163 -3.963 1 1 490 . 12 1 1 A 51 51 ASP H H 51 7.570 7.783 -0.213 1 1 491 . 12 1 1 A 51 51 ASP HA H 51 4.410 4.561 -0.151 1 1 494 . 12 1 1 A 51 51 ASP C C 51 176.000 176.723 -0.723 1 1 495 . 12 1 1 A 51 51 ASP CA C 51 54.200 54.782 -0.582 1 1 496 . 12 1 1 A 51 51 ASP CB C 51 41.900 41.560 0.340 1 1 497 . 12 1 1 A 51 51 ASP N N 51 114.800 115.956 -1.156 1 1 498 . 12 1 1 A 52 52 ILE H H 52 7.290 7.229 0.061 1 1 499 . 12 1 1 A 52 52 ILE HA H 52 3.100 3.870 -0.770 1 1 509 . 12 1 1 A 52 52 ILE C C 52 174.800 175.481 -0.681 1 1 510 . 12 1 1 A 52 52 ILE CA C 52 65.100 62.527 2.573 1 1 511 . 12 1 1 A 52 52 ILE CB C 52 37.100 37.747 -0.647 1 1 515 . 12 1 1 A 52 52 ILE N N 52 117.700 122.071 -4.371 1 1 516 . 12 1 1 A 53 53 THR H H 53 6.560 8.213 -1.653 1 1 517 . 12 1 1 A 53 53 THR HA H 53 4.720 4.996 -0.276 1 1 522 . 12 1 1 A 53 53 THR C C 53 174.600 175.691 -1.091 1 1 523 . 12 1 1 A 53 53 THR CA C 53 58.500 59.521 -1.021 1 1 524 . 12 1 1 A 53 53 THR CB C 53 72.900 71.980 0.920 1 1 526 . 12 1 1 A 53 53 THR N N 53 117.300 118.137 -0.837 1 1 527 . 12 1 1 A 54 54 ALA H H 54 9.340 9.149 0.191 1 1 528 . 12 1 1 A 54 54 ALA HA H 54 4.460 4.078 0.382 1 1 532 . 12 1 1 A 54 54 ALA C C 54 167.400 179.818 -12.418 1 1 533 . 12 1 1 A 54 54 ALA CA C 54 55.800 55.649 0.151 1 1 534 . 12 1 1 A 54 54 ALA CB C 54 18.200 18.103 0.097 1 1 535 . 12 1 1 A 54 54 ALA N N 54 123.800 124.952 -1.152 1 1 536 . 12 1 1 A 55 55 SER H H 55 8.530 8.136 0.394 1 1 537 . 12 1 1 A 55 55 SER HA H 55 4.280 4.132 0.148 1 1 541 . 12 1 1 A 55 55 SER C C 55 177.700 176.305 1.395 1 1 542 . 12 1 1 A 55 55 SER CA C 55 61.600 62.184 -0.584 1 1 543 . 12 1 1 A 55 55 SER CB C 55 62.600 62.956 -0.356 1 1 544 . 12 1 1 A 55 55 SER N N 55 112.600 113.686 -1.086 1 1 545 . 12 1 1 A 56 56 LEU H H 56 7.810 8.347 -0.537 1 1 546 . 12 1 1 A 56 56 LEU HA H 56 4.280 4.208 0.072 1 1 556 . 12 1 1 A 56 56 LEU C C 56 168.100 180.232 -12.132 1 1 557 . 12 1 1 A 56 56 LEU CA C 56 57.900 57.663 0.237 1 1 558 . 12 1 1 A 56 56 LEU CB C 56 42.100 41.421 0.679 1 1 562 . 12 1 1 A 56 56 LEU N N 56 122.500 120.746 1.754 1 1 563 . 12 1 1 A 57 57 LEU H H 57 8.490 8.157 0.333 1 1 564 . 12 1 1 A 57 57 LEU HA H 57 4.180 4.083 0.097 1 1 574 . 12 1 1 A 57 57 LEU C C 57 178.000 179.277 -1.277 1 1 575 . 12 1 1 A 57 57 LEU CA C 57 58.300 58.270 0.030 1 1 576 . 12 1 1 A 57 57 LEU CB C 57 41.200 40.885 0.315 1 1 580 . 12 1 1 A 57 57 LEU N N 57 123.900 120.465 3.435 1 1 581 . 12 1 1 A 58 58 GLN H H 58 8.500 8.180 0.320 1 1 582 . 12 1 1 A 58 58 GLN HA H 58 3.680 4.037 -0.357 1 1 589 . 12 1 1 A 58 58 GLN C C 58 178.200 179.048 -0.848 1 1 590 . 12 1 1 A 58 58 GLN CA C 58 60.200 59.274 0.926 1 1 591 . 12 1 1 A 58 58 GLN CB C 58 28.500 28.081 0.419 1 1 593 . 12 1 1 A 58 58 GLN N N 58 118.800 118.813 -0.013 1 1 595 . 12 1 1 A 59 59 GLN H H 59 8.300 7.789 0.511 1 1 596 . 12 1 1 A 59 59 GLN HA H 59 4.090 4.062 0.028 1 1 601 . 12 1 1 A 59 59 GLN C C 59 179.900 178.798 1.102 1 1 602 . 12 1 1 A 59 59 GLN CA C 59 58.900 58.443 0.457 1 1 603 . 12 1 1 A 59 59 GLN CB C 59 28.800 28.589 0.211 1 1 605 . 12 1 1 A 59 59 GLN N N 59 118.600 119.580 -0.980 1 1 606 . 12 1 1 A 60 60 ALA H H 60 7.850 8.310 -0.460 1 1 607 . 12 1 1 A 60 60 ALA HA H 60 3.580 3.756 -0.176 1 1 611 . 12 1 1 A 60 60 ALA C C 60 176.700 179.688 -2.988 1 1 612 . 12 1 1 A 60 60 ALA CA C 60 54.700 54.268 0.432 1 1 613 . 12 1 1 A 60 60 ALA CB C 60 17.400 17.580 -0.180 1 1 614 . 12 1 1 A 60 60 ALA N N 60 122.500 122.153 0.347 1 1 615 . 12 1 1 A 61 61 ALA H H 61 7.540 7.498 0.042 1 1 616 . 12 1 1 A 61 61 ALA HA H 61 3.970 4.247 -0.277 1 1 620 . 12 1 1 A 61 61 ALA C C 61 176.300 177.947 -1.647 1 1 621 . 12 1 1 A 61 61 ALA CA C 61 52.400 51.987 0.413 1 1 622 . 12 1 1 A 61 61 ALA CB C 61 19.100 19.309 -0.209 1 1 623 . 12 1 1 A 61 61 ALA N N 61 113.700 117.718 -4.018 1 1 624 . 12 1 1 A 62 62 GLY H H 62 7.600 7.787 -0.187 1 1 625 . 12 1 1 A 62 62 GLY HA2 H 62 3.890 3.923 -0.033 1 1 626 . 12 1 1 A 62 62 GLY HA3 H 62 3.980 3.929 0.051 1 1 627 . 12 1 1 A 62 62 GLY C C 62 175.400 175.259 0.141 1 1 628 . 12 1 1 A 62 62 GLY CA C 62 45.800 46.525 -0.725 1 1 629 . 12 1 1 A 62 62 GLY N N 62 104.800 106.556 -1.756 1 1 630 . 12 1 1 A 63 63 LEU H H 63 7.770 7.417 0.353 1 1 631 . 12 1 1 A 63 63 LEU HA H 63 4.430 3.989 0.441 1 1 640 . 12 1 1 A 63 63 LEU C C 63 176.400 177.472 -1.072 1 1 641 . 12 1 1 A 63 63 LEU CA C 63 54.000 57.707 -3.707 1 1 642 . 12 1 1 A 63 63 LEU CB C 63 42.500 42.084 0.416 1 1 645 . 12 1 1 A 63 63 LEU N N 63 119.100 122.315 -3.215 1 1 646 . 12 1 1 A 64 64 ALA H H 64 8.060 7.957 0.103 1 1 647 . 12 1 1 A 64 64 ALA HA H 64 4.160 4.360 -0.200 1 1 651 . 12 1 1 A 64 64 ALA C C 64 177.300 177.251 0.049 1 1 652 . 12 1 1 A 64 64 ALA CA C 64 52.700 51.192 1.508 1 1 653 . 12 1 1 A 64 64 ALA CB C 64 19.700 17.631 2.069 1 1 654 . 12 1 1 A 64 64 ALA N N 64 122.900 119.759 3.141 1 1 655 . 12 1 1 A 65 65 GLU H H 65 8.260 8.362 -0.102 1 1 656 . 12 1 1 A 65 65 GLU C C 65 176.300 176.581 -0.281 1 1 657 . 12 1 1 A 65 65 GLU CA C 65 56.400 58.709 -2.309 1 1 658 . 12 1 1 A 65 65 GLU CB C 65 30.100 30.313 -0.213 1 1 659 . 12 1 1 A 65 65 GLU N N 65 118.900 124.392 -5.492 1 1 660 . 12 1 1 A 66 66 VAL H H 66 7.960 7.975 -0.015 1 1 661 . 12 1 1 A 66 66 VAL HA H 66 4.020 4.217 -0.197 1 1 663 . 12 1 1 A 66 66 VAL C C 66 175.900 175.153 0.747 1 1 664 . 12 1 1 A 66 66 VAL CA C 66 62.300 62.458 -0.158 1 1 665 . 12 1 1 A 66 66 VAL CB C 66 32.800 30.818 1.982 1 1 666 . 12 1 1 A 66 66 VAL N N 66 121.500 119.374 2.126 1 1 667 . 12 1 1 A 67 67 VAL H H 67 8.210 8.925 -0.715 1 1 668 . 12 1 1 A 67 67 VAL C C 67 175.800 175.265 0.535 1 1 669 . 12 1 1 A 67 67 VAL CA C 67 62.200 62.036 0.164 1 1 670 . 12 1 1 A 67 67 VAL CB C 67 32.600 31.160 1.440 1 1 671 . 12 1 1 A 67 67 VAL N N 67 124.900 128.473 -3.573 1 1 672 . 12 1 1 A 68 68 ARG H H 68 8.380 8.775 -0.395 1 1 673 . 12 1 1 A 68 68 ARG HA H 68 4.270 4.659 -0.389 1 1 674 . 12 1 1 A 68 68 ARG C C 68 175.400 175.836 -0.436 1 1 675 . 12 1 1 A 68 68 ARG CA C 68 55.700 54.686 1.014 1 1 676 . 12 1 1 A 68 68 ARG CB C 68 31.100 32.672 -1.572 1 1 677 . 12 1 1 A 68 68 ARG N N 68 125.900 127.508 -1.608 1 1 678 . 12 1 1 A 69 69 ASP H H 69 8.390 8.649 -0.259 1 1 679 . 12 1 1 A 69 69 ASP HA H 69 4.800 4.863 -0.063 1 1 682 . 12 1 1 A 69 69 ASP CA C 69 51.700 52.889 -1.189 1 1 683 . 12 1 1 A 69 69 ASP CB C 69 41.700 39.857 1.843 1 1 684 . 12 1 1 A 69 69 ASP N N 69 123.600 123.446 0.154 1 1 685 . 12 1 1 A 70 70 PRO HA H 70 4.290 4.773 -0.483 1 1 688 . 12 1 1 A 70 70 PRO C C 70 177.500 176.517 0.983 1 1 689 . 12 1 1 A 70 70 PRO CA C 70 64.100 62.265 1.835 1 1 690 . 12 1 1 A 70 70 PRO CB C 70 32.300 29.078 3.222 1 1 691 . 12 1 1 A 71 71 LEU H H 71 8.280 8.396 -0.116 1 1 692 . 12 1 1 A 71 71 LEU HA H 71 4.260 4.271 -0.011 1 1 698 . 12 1 1 A 71 71 LEU C C 71 177.600 177.444 0.156 1 1 699 . 12 1 1 A 71 71 LEU CA C 71 55.100 57.486 -2.386 1 1 700 . 12 1 1 A 71 71 LEU CB C 71 41.200 42.821 -1.621 1 1 702 . 12 1 1 A 71 71 LEU N N 71 118.400 123.430 -5.030 1 1 703 . 12 1 1 A 72 72 ALA H H 72 7.660 7.707 -0.047 1 1 704 . 12 1 1 A 72 72 ALA HA H 72 4.170 4.404 -0.234 1 1 708 . 12 1 1 A 72 72 ALA C C 72 177.400 176.315 1.085 1 1 709 . 12 1 1 A 72 72 ALA CA C 72 52.600 50.803 1.797 1 1 710 . 12 1 1 A 72 72 ALA CB C 72 19.200 18.572 0.628 1 1 711 . 12 1 1 A 72 72 ALA N N 72 122.900 118.497 4.403 1 1 712 . 12 1 1 A 73 73 PHE H H 73 7.940 8.310 -0.370 1 1 713 . 12 1 1 A 73 73 PHE HA H 73 4.510 5.036 -0.526 1 1 717 . 12 1 1 A 73 73 PHE C C 73 175.600 175.628 -0.028 1 1 718 . 12 1 1 A 73 73 PHE CA C 73 57.800 55.419 2.381 1 1 719 . 12 1 1 A 73 73 PHE CB C 73 39.100 40.922 -1.822 1 1 720 . 12 1 1 A 73 73 PHE N N 73 118.200 119.074 -0.874 1 1 721 . 12 1 1 A 74 74 LEU H H 74 7.890 8.858 -0.968 1 1 722 . 12 1 1 A 74 74 LEU CA C 74 55.200 53.610 1.590 1 1 723 . 12 1 1 A 74 74 LEU CB C 74 42.400 42.759 -0.359 1 1 724 . 12 1 1 A 74 74 LEU N N 74 122.600 120.482 2.118 1 1 725 . 12 1 1 A 78 78 GLU C C 78 176.600 176.278 0.322 1 1 726 . 12 1 1 A 78 78 GLU CA C 78 57.500 55.273 2.227 1 1 727 . 12 1 1 A 78 78 GLU CB C 78 30.100 29.062 1.038 1 1 728 . 12 1 1 A 79 79 ALA H H 79 8.460 8.597 -0.137 1 1 729 . 12 1 1 A 79 79 ALA C C 79 178.300 177.457 0.843 1 1 730 . 12 1 1 A 79 79 ALA CA C 79 52.900 52.292 0.608 1 1 731 . 12 1 1 A 79 79 ALA CB C 79 19.200 19.688 -0.488 1 1 732 . 12 1 1 A 79 79 ALA N N 79 124.700 127.211 -2.511 1 1 733 . 12 1 1 A 80 80 GLY H H 80 8.330 7.972 0.358 1 1 734 . 12 1 1 A 80 80 GLY C C 80 174.100 174.409 -0.309 1 1 735 . 12 1 1 A 80 80 GLY CA C 80 45.100 45.666 -0.566 1 1 736 . 12 1 1 A 80 80 GLY N N 80 108.200 106.809 1.391 1 1 737 . 12 1 1 A 81 81 ALA H H 81 8.140 8.483 -0.343 1 1 738 . 12 1 1 A 81 81 ALA HA H 81 4.170 4.358 -0.188 1 1 739 . 12 1 1 A 81 81 ALA C C 81 178.400 177.762 0.638 1 1 740 . 12 1 1 A 81 81 ALA CA C 81 52.800 51.425 1.375 1 1 741 . 12 1 1 A 81 81 ALA CB C 81 19.200 18.276 0.924 1 1 742 . 12 1 1 A 81 81 ALA N N 81 123.600 126.406 -2.806 1 1 743 . 12 1 1 A 82 82 GLY H H 82 8.400 8.034 0.366 1 1 744 . 12 1 1 A 82 82 GLY HA2 H 82 3.860 3.952 -0.092 1 1 745 . 12 1 1 A 82 82 GLY HA3 H 82 2.880 3.953 -1.073 1 1 746 . 12 1 1 A 82 82 GLY C C 82 173.600 174.822 -1.222 1 1 747 . 12 1 1 A 82 82 GLY CA C 82 45.200 46.277 -1.077 1 1 748 . 12 1 1 A 82 82 GLY N N 82 108.000 107.766 0.234 1 1 749 . 12 1 1 A 83 83 ALA H H 83 7.980 8.065 -0.085 1 1 750 . 12 1 1 A 83 83 ALA HA H 83 4.280 4.273 0.007 1 1 754 . 12 1 1 A 83 83 ALA C C 83 177.200 176.453 0.747 1 1 755 . 12 1 1 A 83 83 ALA CA C 83 52.100 51.831 0.269 1 1 756 . 12 1 1 A 83 83 ALA CB C 83 19.500 19.170 0.330 1 1 757 . 12 1 1 A 83 83 ALA N N 83 123.300 123.756 -0.456 1 1 758 . 12 1 1 A 84 84 ARG H H 84 8.240 8.719 -0.479 1 1 759 . 12 1 1 A 84 84 ARG HA H 84 4.610 5.042 -0.432 1 1 762 . 12 1 1 A 84 84 ARG CA C 84 54.000 53.431 0.569 1 1 763 . 12 1 1 A 84 84 ARG CB C 84 30.500 33.270 -2.770 1 1 764 . 12 1 1 A 84 84 ARG N N 84 121.700 119.709 1.991 1 1 765 . 12 1 1 A 85 85 PRO HA H 85 4.390 4.542 -0.152 1 1 770 . 12 1 1 A 85 85 PRO C C 85 177.000 177.156 -0.156 1 1 771 . 12 1 1 A 85 85 PRO CA C 85 62.900 62.815 0.085 1 1 772 . 12 1 1 A 85 85 PRO CB C 85 32.200 32.865 -0.665 1 1 773 . 12 1 1 A 86 86 ALA H H 86 8.600 8.611 -0.011 1 1 774 . 12 1 1 A 86 86 ALA HA H 86 4.150 4.018 0.132 1 1 778 . 12 1 1 A 86 86 ALA C C 86 177.800 177.759 0.041 1 1 779 . 12 1 1 A 86 86 ALA CA C 86 53.400 54.654 -1.254 1 1 780 . 12 1 1 A 86 86 ALA CB C 86 18.900 18.357 0.543 1 1 781 . 12 1 1 A 86 86 ALA N N 86 124.900 126.052 -1.152 1 1 782 . 12 1 1 A 87 87 ASN H H 87 8.380 8.288 0.092 1 1 783 . 12 1 1 A 87 87 ASN HA H 87 4.590 4.766 -0.176 1 1 786 . 12 1 1 A 87 87 ASN C C 87 174.400 175.127 -0.727 1 1 787 . 12 1 1 A 87 87 ASN CA C 87 52.600 52.157 0.443 1 1 788 . 12 1 1 A 87 87 ASN CB C 87 38.300 37.587 0.713 1 1 789 . 12 1 1 A 87 87 ASN N N 87 114.900 112.415 2.485 1 1 790 . 12 1 1 A 88 88 ALA H H 88 7.800 7.105 0.695 1 1 791 . 12 1 1 A 88 88 ALA HA H 88 4.400 4.429 -0.029 1 1 795 . 12 1 1 A 88 88 ALA CA C 88 50.400 50.923 -0.523 1 1 796 . 12 1 1 A 88 88 ALA CB C 88 17.900 18.021 -0.121 1 1 797 . 12 1 1 A 88 88 ALA N N 88 123.600 122.820 0.780 1 1 798 . 12 1 1 A 89 89 PRO HA H 89 4.390 4.456 -0.066 1 1 805 . 12 1 1 A 89 89 PRO C C 89 175.000 177.629 -2.629 1 1 806 . 12 1 1 A 89 89 PRO CA C 89 62.400 63.458 -1.058 1 1 807 . 12 1 1 A 89 89 PRO CB C 89 31.700 32.365 -0.665 1 1 810 . 12 1 1 A 90 90 GLU H H 90 9.000 9.510 -0.510 1 1 811 . 12 1 1 A 90 90 GLU HA H 90 4.310 4.268 0.042 1 1 814 . 12 1 1 A 90 90 GLU C C 90 177.300 176.359 0.941 1 1 815 . 12 1 1 A 90 90 GLU CA C 90 58.000 59.137 -1.137 1 1 816 . 12 1 1 A 90 90 GLU CB C 90 31.400 31.570 -0.170 1 1 817 . 12 1 1 A 90 90 GLU N N 90 117.700 121.224 -3.524 1 1 818 . 12 1 1 A 91 91 VAL H H 91 7.310 7.388 -0.078 1 1 819 . 12 1 1 A 91 91 VAL HA H 91 4.570 5.175 -0.605 1 1 827 . 12 1 1 A 91 91 VAL C C 91 171.000 173.146 -2.146 1 1 828 . 12 1 1 A 91 91 VAL CA C 91 59.700 59.883 -0.183 1 1 829 . 12 1 1 A 91 91 VAL CB C 91 35.600 35.549 0.051 1 1 832 . 12 1 1 A 91 91 VAL N N 91 115.900 116.867 -0.967 1 1 833 . 12 1 1 A 92 92 LEU H H 92 8.700 9.461 -0.761 1 1 834 . 12 1 1 A 92 92 LEU HA H 92 4.950 5.216 -0.266 1 1 844 . 12 1 1 A 92 92 LEU C C 92 174.300 174.723 -0.423 1 1 845 . 12 1 1 A 92 92 LEU CA C 92 52.700 53.384 -0.684 1 1 846 . 12 1 1 A 92 92 LEU CB C 92 44.100 44.679 -0.579 1 1 850 . 12 1 1 A 92 92 LEU N N 92 128.500 129.826 -1.326 1 1 851 . 12 1 1 A 93 93 LEU H H 93 8.770 9.577 -0.807 1 1 852 . 12 1 1 A 93 93 LEU HA H 93 4.910 5.157 -0.247 1 1 862 . 12 1 1 A 93 93 LEU C C 93 174.900 175.771 -0.871 1 1 863 . 12 1 1 A 93 93 LEU CA C 93 52.600 53.262 -0.662 1 1 864 . 12 1 1 A 93 93 LEU CB C 93 44.300 42.623 1.677 1 1 868 . 12 1 1 A 93 93 LEU N N 93 127.300 128.186 -0.886 1 1 869 . 12 1 1 A 94 94 VAL H H 94 8.800 9.263 -0.463 1 1 870 . 12 1 1 A 94 94 VAL HA H 94 4.880 4.680 0.200 1 1 878 . 12 1 1 A 94 94 VAL C C 94 175.000 175.145 -0.145 1 1 879 . 12 1 1 A 94 94 VAL CA C 94 60.000 60.805 -0.805 1 1 880 . 12 1 1 A 94 94 VAL CB C 94 33.900 33.755 0.145 1 1 883 . 12 1 1 A 94 94 VAL N N 94 122.000 126.345 -4.345 1 1 884 . 12 1 1 A 95 95 GLY H H 95 9.730 9.241 0.489 1 1 885 . 12 1 1 A 95 95 GLY HA2 H 95 3.240 4.163 -0.923 1 1 886 . 12 1 1 A 95 95 GLY HA3 H 95 4.940 4.164 0.776 1 1 887 . 12 1 1 A 95 95 GLY C C 95 175.000 175.289 -0.289 1 1 888 . 12 1 1 A 95 95 GLY CA C 95 45.500 45.131 0.369 1 1 889 . 12 1 1 A 95 95 GLY N N 95 114.000 116.059 -2.059 1 1 890 . 12 1 1 A 96 96 THR H H 96 9.320 9.051 0.269 1 1 891 . 12 1 1 A 96 96 THR HA H 96 4.210 4.406 -0.196 1 1 896 . 12 1 1 A 96 96 THR C C 96 173.000 175.959 -2.959 1 1 897 . 12 1 1 A 96 96 THR CA C 96 61.800 63.216 -1.416 1 1 898 . 12 1 1 A 96 96 THR CB C 96 67.600 69.592 -1.992 1 1 900 . 12 1 1 A 96 96 THR N N 96 113.800 116.486 -2.686 1 1 901 . 12 1 1 A 97 97 GLY H H 97 8.600 7.962 0.638 1 1 902 . 12 1 1 A 97 97 GLY HA2 H 97 3.580 4.030 -0.450 1 1 903 . 12 1 1 A 97 97 GLY HA3 H 97 4.500 4.048 0.452 1 1 904 . 12 1 1 A 97 97 GLY C C 97 174.800 175.856 -1.056 1 1 905 . 12 1 1 A 97 97 GLY CA C 97 44.000 46.146 -2.146 1 1 906 . 12 1 1 A 97 97 GLY N N 97 110.900 110.594 0.306 1 1 907 . 12 1 1 A 98 98 ARG H H 98 9.400 8.623 0.777 1 1 908 . 12 1 1 A 98 98 ARG HA H 98 4.110 4.231 -0.121 1 1 911 . 12 1 1 A 98 98 ARG C C 98 175.700 176.306 -0.606 1 1 912 . 12 1 1 A 98 98 ARG CA C 98 58.800 58.054 0.746 1 1 913 . 12 1 1 A 98 98 ARG CB C 98 30.700 30.801 -0.101 1 1 914 . 12 1 1 A 98 98 ARG N N 98 125.500 121.650 3.850 1 1 915 . 12 1 1 A 99 99 ARG H H 99 8.180 7.632 0.548 1 1 916 . 12 1 1 A 99 99 ARG HA H 99 4.640 4.699 -0.059 1 1 919 . 12 1 1 A 99 99 ARG C C 99 175.000 174.193 0.807 1 1 920 . 12 1 1 A 99 99 ARG CA C 99 53.100 55.123 -2.023 1 1 921 . 12 1 1 A 99 99 ARG CB C 99 33.200 33.562 -0.362 1 1 922 . 12 1 1 A 99 99 ARG N N 99 114.300 114.223 0.077 1 1 923 . 12 1 1 A 100 100 GLN H H 100 8.710 8.538 0.172 1 1 924 . 12 1 1 A 100 100 GLN HA H 100 3.620 4.509 -0.889 1 1 929 . 12 1 1 A 100 100 GLN C C 100 173.900 174.525 -0.625 1 1 930 . 12 1 1 A 100 100 GLN CA C 100 56.400 55.156 1.244 1 1 931 . 12 1 1 A 100 100 GLN CB C 100 29.600 28.328 1.272 1 1 933 . 12 1 1 A 100 100 GLN N N 100 121.700 123.494 -1.794 1 1 934 . 12 1 1 A 101 101 HIS H H 101 7.900 8.709 -0.809 1 1 935 . 12 1 1 A 101 101 HIS HA H 101 4.530 4.951 -0.421 1 1 939 . 12 1 1 A 101 101 HIS C C 101 173.100 174.077 -0.977 1 1 940 . 12 1 1 A 101 101 HIS CA C 101 55.100 54.479 0.621 1 1 941 . 12 1 1 A 101 101 HIS CB C 101 32.100 30.858 1.242 1 1 942 . 12 1 1 A 101 101 HIS N N 101 130.600 127.874 2.726 1 1 943 . 12 1 1 A 102 102 LEU H H 102 8.080 8.518 -0.438 1 1 944 . 12 1 1 A 102 102 LEU HA H 102 4.060 4.189 -0.129 1 1 948 . 12 1 1 A 102 102 LEU C C 102 177.200 176.391 0.809 1 1 949 . 12 1 1 A 102 102 LEU CA C 102 54.900 55.033 -0.133 1 1 950 . 12 1 1 A 102 102 LEU CB C 102 41.600 42.117 -0.517 1 1 951 . 12 1 1 A 102 102 LEU N N 102 121.400 128.552 -7.152 1 1 952 . 12 1 1 A 103 103 LEU H H 103 8.260 8.314 -0.054 1 1 953 . 12 1 1 A 103 103 LEU HA H 103 4.490 4.946 -0.456 1 1 963 . 12 1 1 A 103 103 LEU C C 103 177.100 176.555 0.545 1 1 964 . 12 1 1 A 103 103 LEU CA C 103 53.400 53.481 -0.081 1 1 965 . 12 1 1 A 103 103 LEU CB C 103 42.600 43.850 -1.250 1 1 969 . 12 1 1 A 103 103 LEU N N 103 123.000 122.827 0.173 1 1 970 . 12 1 1 A 104 104 GLY H H 104 8.820 8.800 0.020 1 1 971 . 12 1 1 A 104 104 GLY HA2 H 104 3.930 4.162 -0.232 1 1 972 . 12 1 1 A 104 104 GLY HA3 H 104 4.440 4.174 0.266 1 1 973 . 12 1 1 A 104 104 GLY CA C 104 44.500 43.616 0.884 1 1 974 . 12 1 1 A 104 104 GLY N N 104 110.200 108.749 1.451 1 1 975 . 12 1 1 A 105 105 PRO HA H 105 4.230 4.296 -0.066 1 1 978 . 12 1 1 A 105 105 PRO C C 105 178.900 177.670 1.230 1 1 979 . 12 1 1 A 105 105 PRO CA C 105 65.200 64.907 0.293 1 1 980 . 12 1 1 A 105 105 PRO CB C 105 31.900 31.964 -0.064 1 1 981 . 12 1 1 A 106 106 GLU H H 106 9.150 8.460 0.690 1 1 982 . 12 1 1 A 106 106 GLU HA H 106 4.080 4.207 -0.127 1 1 987 . 12 1 1 A 106 106 GLU C C 106 178.500 177.683 0.817 1 1 988 . 12 1 1 A 106 106 GLU CA C 106 58.600 57.785 0.815 1 1 989 . 12 1 1 A 106 106 GLU CB C 106 28.500 29.540 -1.040 1 1 991 . 12 1 1 A 106 106 GLU N N 106 115.400 116.793 -1.393 1 1 992 . 12 1 1 A 107 107 GLN H H 107 7.680 7.858 -0.178 1 1 993 . 12 1 1 A 107 107 GLN HA H 107 4.160 4.366 -0.206 1 1 998 . 12 1 1 A 107 107 GLN C C 107 175.200 177.720 -2.520 1 1 999 . 12 1 1 A 107 107 GLN CA C 107 58.500 57.638 0.862 1 1 1000 . 12 1 1 A 107 107 GLN CB C 107 29.400 29.686 -0.286 1 1 1002 . 12 1 1 A 107 107 GLN N N 107 116.100 118.219 -2.119 1 1 1003 . 12 1 1 A 108 108 VAL H H 108 7.080 7.771 -0.691 1 1 1004 . 12 1 1 A 108 108 VAL HA H 108 4.270 4.160 0.110 1 1 1012 . 12 1 1 A 108 108 VAL C C 108 177.500 177.019 0.481 1 1 1013 . 12 1 1 A 108 108 VAL CA C 108 62.000 61.487 0.513 1 1 1014 . 12 1 1 A 108 108 VAL CB C 108 33.000 31.777 1.223 1 1 1017 . 12 1 1 A 108 108 VAL N N 108 104.800 115.078 -10.278 1 1 1018 . 12 1 1 A 109 109 ARG H H 109 8.220 7.899 0.321 1 1 1019 . 12 1 1 A 109 109 ARG HA H 109 4.060 4.192 -0.132 1 1 1024 . 12 1 1 A 109 109 ARG CA C 109 61.700 61.192 0.508 1 1 1025 . 12 1 1 A 109 109 ARG CB C 109 27.600 27.967 -0.367 1 1 1027 . 12 1 1 A 109 109 ARG N N 109 123.100 123.300 -0.200 1 1 1028 . 12 1 1 A 110 110 PRO HA H 110 4.290 4.400 -0.110 1 1 1035 . 12 1 1 A 110 110 PRO C C 110 173.000 179.385 -6.385 1 1 1036 . 12 1 1 A 110 110 PRO CA C 110 65.800 65.924 -0.124 1 1 1037 . 12 1 1 A 110 110 PRO CB C 110 31.400 31.186 0.214 1 1 1040 . 12 1 1 A 111 111 LEU H H 111 7.080 7.621 -0.541 1 1 1041 . 12 1 1 A 111 111 LEU HA H 111 4.050 3.999 0.051 1 1 1051 . 12 1 1 A 111 111 LEU C C 111 178.800 179.018 -0.218 1 1 1052 . 12 1 1 A 111 111 LEU CA C 111 57.400 57.437 -0.037 1 1 1053 . 12 1 1 A 111 111 LEU CB C 111 40.100 41.950 -1.850 1 1 1056 . 12 1 1 A 111 111 LEU N N 111 117.700 116.810 0.890 1 1 1057 . 12 1 1 A 112 112 LEU H H 112 7.950 8.504 -0.554 1 1 1058 . 12 1 1 A 112 112 LEU HA H 112 4.050 3.947 0.103 1 1 1068 . 12 1 1 A 112 112 LEU C C 112 169.000 179.156 -10.156 1 1 1069 . 12 1 1 A 112 112 LEU CA C 112 58.000 58.017 -0.017 1 1 1070 . 12 1 1 A 112 112 LEU CB C 112 41.100 40.764 0.336 1 1 1074 . 12 1 1 A 112 112 LEU N N 112 121.700 118.775 2.925 1 1 1075 . 12 1 1 A 113 113 ALA H H 113 8.230 8.253 -0.023 1 1 1076 . 12 1 1 A 113 113 ALA HA H 113 4.110 4.066 0.044 1 1 1080 . 12 1 1 A 113 113 ALA C C 113 178.700 180.506 -1.806 1 1 1081 . 12 1 1 A 113 113 ALA CA C 113 54.400 55.048 -0.648 1 1 1082 . 12 1 1 A 113 113 ALA CB C 113 18.100 18.021 0.079 1 1 1083 . 12 1 1 A 113 113 ALA N N 113 120.900 122.266 -1.366 1 1 1084 . 12 1 1 A 114 114 MET H H 114 7.270 7.514 -0.244 1 1 1085 . 12 1 1 A 114 114 MET HA H 114 4.490 4.440 0.050 1 1 1093 . 12 1 1 A 114 114 MET C C 114 175.100 176.329 -1.229 1 1 1094 . 12 1 1 A 114 114 MET CA C 114 55.100 55.901 -0.801 1 1 1095 . 12 1 1 A 114 114 MET CB C 114 33.700 32.719 0.981 1 1 1098 . 12 1 1 A 114 114 MET N N 114 115.100 115.362 -0.262 1 1 1099 . 12 1 1 A 115 115 GLY H H 115 7.830 7.861 -0.031 1 1 1100 . 12 1 1 A 115 115 GLY HA2 H 115 3.660 4.040 -0.380 1 1 1101 . 12 1 1 A 115 115 GLY HA3 H 115 4.060 4.040 0.020 1 1 1102 . 12 1 1 A 115 115 GLY C C 115 173.700 174.270 -0.570 1 1 1103 . 12 1 1 A 115 115 GLY CA C 115 45.600 44.936 0.664 1 1 1104 . 12 1 1 A 115 115 GLY N N 115 106.300 106.054 0.246 1 1 1105 . 12 1 1 A 116 116 VAL H H 116 7.710 8.068 -0.358 1 1 1106 . 12 1 1 A 116 116 VAL HA H 116 3.820 4.033 -0.213 1 1 1114 . 12 1 1 A 116 116 VAL C C 116 174.800 175.238 -0.438 1 1 1115 . 12 1 1 A 116 116 VAL CA C 116 61.200 62.523 -1.323 1 1 1116 . 12 1 1 A 116 116 VAL CB C 116 32.800 31.750 1.050 1 1 1119 . 12 1 1 A 116 116 VAL N N 116 123.600 122.572 1.028 1 1 1120 . 12 1 1 A 117 117 GLY H H 117 7.730 9.043 -1.313 1 1 1121 . 12 1 1 A 117 117 GLY HA2 H 117 3.570 4.013 -0.443 1 1 1122 . 12 1 1 A 117 117 GLY HA3 H 117 4.040 4.014 0.026 1 1 1123 . 12 1 1 A 117 117 GLY C C 117 172.600 172.776 -0.176 1 1 1124 . 12 1 1 A 117 117 GLY CA C 117 45.500 45.287 0.213 1 1 1125 . 12 1 1 A 117 117 GLY N N 117 111.400 115.136 -3.736 1 1 1126 . 12 1 1 A 118 118 VAL H H 118 7.740 9.211 -1.471 1 1 1127 . 12 1 1 A 118 118 VAL HA H 118 5.100 4.803 0.297 1 1 1135 . 12 1 1 A 118 118 VAL C C 118 175.500 174.028 1.472 1 1 1136 . 12 1 1 A 118 118 VAL CA C 118 61.000 61.144 -0.144 1 1 1137 . 12 1 1 A 118 118 VAL CB C 118 34.300 33.349 0.951 1 1 1140 . 12 1 1 A 118 118 VAL N N 118 120.900 125.196 -4.296 1 1 1141 . 12 1 1 A 119 119 GLU H H 119 8.490 9.556 -1.066 1 1 1142 . 12 1 1 A 119 119 GLU HA H 119 4.630 4.937 -0.307 1 1 1147 . 12 1 1 A 119 119 GLU C C 119 173.500 174.946 -1.446 1 1 1148 . 12 1 1 A 119 119 GLU CA C 119 54.600 54.650 -0.050 1 1 1149 . 12 1 1 A 119 119 GLU CB C 119 32.300 31.698 0.602 1 1 1151 . 12 1 1 A 119 119 GLU N N 119 127.000 128.578 -1.578 1 1 1152 . 12 1 1 A 120 120 ALA H H 120 8.600 9.001 -0.401 1 1 1153 . 12 1 1 A 120 120 ALA HA H 120 5.530 4.870 0.660 1 1 1157 . 12 1 1 A 120 120 ALA C C 120 177.100 176.646 0.454 1 1 1158 . 12 1 1 A 120 120 ALA CA C 120 50.300 50.922 -0.622 1 1 1159 . 12 1 1 A 120 120 ALA CB C 120 20.800 20.266 0.534 1 1 1160 . 12 1 1 A 120 120 ALA N N 120 126.500 130.106 -3.606 1 1 1161 . 12 1 1 A 121 121 MET H H 121 9.430 9.241 0.189 1 1 1162 . 12 1 1 A 121 121 MET HA H 121 4.630 5.158 -0.528 1 1 1170 . 12 1 1 A 121 121 MET C C 121 173.300 173.876 -0.576 1 1 1171 . 12 1 1 A 121 121 MET CA C 121 54.600 54.018 0.582 1 1 1172 . 12 1 1 A 121 121 MET CB C 121 36.800 37.389 -0.589 1 1 1175 . 12 1 1 A 121 121 MET N N 121 120.400 121.477 -1.077 1 1 1176 . 12 1 1 A 122 122 ASP H H 122 8.460 8.773 -0.313 1 1 1177 . 12 1 1 A 122 122 ASP HA H 122 4.170 4.662 -0.492 1 1 1180 . 12 1 1 A 122 122 ASP C C 122 175.200 177.249 -2.049 1 1 1181 . 12 1 1 A 122 122 ASP CA C 122 55.000 54.416 0.584 1 1 1182 . 12 1 1 A 122 122 ASP CB C 122 41.000 42.974 -1.974 1 1 1183 . 12 1 1 A 122 122 ASP N N 122 116.700 121.412 -4.712 1 1 1184 . 12 1 1 A 123 123 THR H H 123 9.580 8.647 0.933 1 1 1185 . 12 1 1 A 123 123 THR HA H 123 3.670 4.039 -0.369 1 1 1191 . 12 1 1 A 123 123 THR C C 123 174.400 176.207 -1.807 1 1 1192 . 12 1 1 A 123 123 THR CA C 123 68.700 65.465 3.235 1 1 1193 . 12 1 1 A 123 123 THR CB C 123 68.800 68.944 -0.144 1 1 1195 . 12 1 1 A 123 123 THR N N 123 119.600 120.267 -0.667 1 1 1196 . 12 1 1 A 124 124 GLN H H 124 8.580 8.119 0.461 1 1 1197 . 12 1 1 A 124 124 GLN HA H 124 3.240 3.914 -0.674 1 1 1202 . 12 1 1 A 124 124 GLN C C 124 177.700 177.554 0.146 1 1 1203 . 12 1 1 A 124 124 GLN CA C 124 60.100 58.381 1.719 1 1 1204 . 12 1 1 A 124 124 GLN CB C 124 27.400 28.203 -0.803 1 1 1206 . 12 1 1 A 124 124 GLN N N 124 121.500 120.597 0.903 1 1 1207 . 12 1 1 A 125 125 ALA H H 125 8.210 7.592 0.618 1 1 1208 . 12 1 1 A 125 125 ALA HA H 125 3.960 4.121 -0.161 1 1 1212 . 12 1 1 A 125 125 ALA C C 125 167.800 180.209 -12.409 1 1 1213 . 12 1 1 A 125 125 ALA CA C 125 54.800 54.942 -0.142 1 1 1214 . 12 1 1 A 125 125 ALA CB C 125 18.700 18.033 0.667 1 1 1215 . 12 1 1 A 125 125 ALA N N 125 122.600 121.232 1.368 1 1 1216 . 12 1 1 A 126 126 ALA H H 126 8.900 8.045 0.855 1 1 1217 . 12 1 1 A 126 126 ALA HA H 126 4.110 4.348 -0.238 1 1 1221 . 12 1 1 A 126 126 ALA C C 126 178.500 179.072 -0.572 1 1 1222 . 12 1 1 A 126 126 ALA CA C 126 55.300 55.043 0.257 1 1 1223 . 12 1 1 A 126 126 ALA CB C 126 18.100 18.439 -0.339 1 1 1224 . 12 1 1 A 126 126 ALA N N 126 124.600 120.053 4.547 1 1 1225 . 12 1 1 A 127 127 ALA H H 127 8.440 7.904 0.536 1 1 1226 . 12 1 1 A 127 127 ALA HA H 127 3.850 4.017 -0.167 1 1 1230 . 12 1 1 A 127 127 ALA C C 127 178.400 180.195 -1.795 1 1 1231 . 12 1 1 A 127 127 ALA CA C 127 55.500 55.233 0.267 1 1 1232 . 12 1 1 A 127 127 ALA CB C 127 18.500 18.243 0.257 1 1 1233 . 12 1 1 A 127 127 ALA N N 127 120.200 120.324 -0.124 1 1 1234 . 12 1 1 A 128 128 ARG H H 128 7.790 7.532 0.258 1 1 1235 . 12 1 1 A 128 128 ARG HA H 128 4.020 4.107 -0.087 1 1 1240 . 12 1 1 A 128 128 ARG C C 128 179.400 179.114 0.286 1 1 1241 . 12 1 1 A 128 128 ARG CA C 128 59.600 59.392 0.208 1 1 1242 . 12 1 1 A 128 128 ARG CB C 128 30.800 30.599 0.201 1 1 1244 . 12 1 1 A 128 128 ARG N N 128 115.900 117.936 -2.036 1 1 1245 . 12 1 1 A 129 129 THR H H 129 8.440 7.689 0.751 1 1 1246 . 12 1 1 A 129 129 THR HA H 129 3.770 4.055 -0.285 1 1 1251 . 12 1 1 A 129 129 THR C C 129 175.300 176.278 -0.978 1 1 1252 . 12 1 1 A 129 129 THR CA C 129 67.300 65.597 1.703 1 1 1253 . 12 1 1 A 129 129 THR CB C 129 68.300 67.970 0.330 1 1 1255 . 12 1 1 A 129 129 THR N N 129 116.400 112.674 3.726 1 1 1256 . 12 1 1 A 130 130 TYR H H 130 8.790 8.517 0.273 1 1 1257 . 12 1 1 A 130 130 TYR HA H 130 3.600 4.141 -0.541 1 1 1262 . 12 1 1 A 130 130 TYR C C 130 175.500 177.553 -2.053 1 1 1263 . 12 1 1 A 130 130 TYR CA C 130 62.600 62.091 0.509 1 1 1264 . 12 1 1 A 130 130 TYR CB C 130 37.500 38.555 -1.055 1 1 1265 . 12 1 1 A 130 130 TYR N N 130 123.500 125.089 -1.589 1 1 1266 . 12 1 1 A 131 131 ASN H H 131 7.800 8.134 -0.334 1 1 1267 . 12 1 1 A 131 131 ASN HA H 131 4.220 4.242 -0.022 1 1 1270 . 12 1 1 A 131 131 ASN C C 131 179.200 178.159 1.041 1 1 1271 . 12 1 1 A 131 131 ASN CA C 131 55.500 56.379 -0.879 1 1 1272 . 12 1 1 A 131 131 ASN CB C 131 37.100 39.269 -2.169 1 1 1273 . 12 1 1 A 131 131 ASN N N 131 117.700 117.502 0.198 1 1 1274 . 12 1 1 A 132 132 ILE H H 132 7.520 7.578 -0.058 1 1 1275 . 12 1 1 A 132 132 ILE HA H 132 3.710 3.614 0.096 1 1 1285 . 12 1 1 A 132 132 ILE C C 132 178.100 178.241 -0.141 1 1 1286 . 12 1 1 A 132 132 ILE CA C 132 64.900 65.749 -0.849 1 1 1287 . 12 1 1 A 132 132 ILE CB C 132 38.500 38.306 0.194 1 1 1291 . 12 1 1 A 132 132 ILE N N 132 121.000 119.872 1.128 1 1 1292 . 12 1 1 A 133 133 LEU H H 133 8.420 8.321 0.099 1 1 1293 . 12 1 1 A 133 133 LEU HA H 133 3.910 3.973 -0.063 1 1 1303 . 12 1 1 A 133 133 LEU C C 133 179.600 179.470 0.130 1 1 1304 . 12 1 1 A 133 133 LEU CA C 133 57.900 57.913 -0.013 1 1 1305 . 12 1 1 A 133 133 LEU CB C 133 41.700 40.556 1.144 1 1 1309 . 12 1 1 A 133 133 LEU N N 133 120.500 118.242 2.258 1 1 1310 . 12 1 1 A 134 134 MET H H 134 8.990 8.289 0.701 1 1 1311 . 12 1 1 A 134 134 MET HA H 134 3.870 4.079 -0.209 1 1 1319 . 12 1 1 A 134 134 MET C C 134 167.400 177.771 -10.371 1 1 1320 . 12 1 1 A 134 134 MET CA C 134 58.400 58.377 0.023 1 1 1321 . 12 1 1 A 134 134 MET CB C 134 30.700 31.992 -1.292 1 1 1324 . 12 1 1 A 134 134 MET N N 134 119.900 118.679 1.221 1 1 1325 . 12 1 1 A 135 135 ALA H H 135 7.490 8.156 -0.666 1 1 1326 . 12 1 1 A 135 135 ALA HA H 135 4.060 3.883 0.177 1 1 1330 . 12 1 1 A 135 135 ALA C C 135 179.100 179.240 -0.140 1 1 1331 . 12 1 1 A 135 135 ALA CA C 135 54.700 55.467 -0.767 1 1 1332 . 12 1 1 A 135 135 ALA CB C 135 18.000 18.058 -0.058 1 1 1333 . 12 1 1 A 135 135 ALA N N 135 124.600 121.467 3.133 1 1 1334 . 12 1 1 A 136 136 GLU H H 136 7.540 7.793 -0.253 1 1 1335 . 12 1 1 A 136 136 GLU HA H 136 4.230 4.299 -0.069 1 1 1340 . 12 1 1 A 136 136 GLU C C 136 176.900 177.088 -0.188 1 1 1341 . 12 1 1 A 136 136 GLU CA C 136 56.400 56.383 0.017 1 1 1342 . 12 1 1 A 136 136 GLU CB C 136 30.300 29.982 0.318 1 1 1344 . 12 1 1 A 136 136 GLU N N 136 116.500 115.545 0.955 1 1 1345 . 12 1 1 A 137 137 GLY H H 137 7.870 7.858 0.012 1 1 1346 . 12 1 1 A 137 137 GLY HA2 H 137 3.760 3.910 -0.150 1 1 1347 . 12 1 1 A 137 137 GLY HA3 H 137 4.140 3.923 0.217 1 1 1348 . 12 1 1 A 137 137 GLY C C 137 175.100 174.455 0.645 1 1 1349 . 12 1 1 A 137 137 GLY CA C 137 45.600 46.325 -0.725 1 1 1350 . 12 1 1 A 137 137 GLY N N 137 107.100 109.822 -2.722 1 1 1351 . 12 1 1 A 138 138 ARG H H 138 7.580 7.786 -0.206 1 1 1352 . 12 1 1 A 138 138 ARG HA H 138 4.270 4.590 -0.320 1 1 1357 . 12 1 1 A 138 138 ARG C C 138 176.900 175.947 0.953 1 1 1358 . 12 1 1 A 138 138 ARG CA C 138 54.500 54.828 -0.328 1 1 1359 . 12 1 1 A 138 138 ARG CB C 138 30.100 31.576 -1.476 1 1 1361 . 12 1 1 A 138 138 ARG N N 138 118.100 119.206 -1.106 1 1 1362 . 12 1 1 A 139 139 ARG H H 139 9.240 8.872 0.368 1 1 1363 . 12 1 1 A 139 139 ARG HA H 139 4.470 4.517 -0.047 1 1 1370 . 12 1 1 A 139 139 ARG C C 139 174.400 175.029 -0.629 1 1 1371 . 12 1 1 A 139 139 ARG CA C 139 55.700 55.932 -0.232 1 1 1372 . 12 1 1 A 139 139 ARG CB C 139 28.000 29.800 -1.800 1 1 1375 . 12 1 1 A 139 139 ARG N N 139 124.400 121.492 2.908 1 1 1376 . 12 1 1 A 140 140 VAL H H 140 7.250 8.273 -1.023 1 1 1377 . 12 1 1 A 140 140 VAL HA H 140 5.180 5.187 -0.007 1 1 1385 . 12 1 1 A 140 140 VAL C C 140 172.800 173.930 -1.130 1 1 1386 . 12 1 1 A 140 140 VAL CA C 140 57.700 60.036 -2.336 1 1 1387 . 12 1 1 A 140 140 VAL CB C 140 34.700 35.114 -0.414 1 1 1390 . 12 1 1 A 140 140 VAL N N 140 121.900 123.611 -1.711 1 1 1391 . 12 1 1 A 141 141 VAL H H 141 8.180 8.445 -0.265 1 1 1392 . 12 1 1 A 141 141 VAL HA H 141 4.510 4.987 -0.477 1 1 1400 . 12 1 1 A 141 141 VAL C C 141 172.600 174.008 -1.408 1 1 1401 . 12 1 1 A 141 141 VAL CA C 141 60.300 60.682 -0.382 1 1 1402 . 12 1 1 A 141 141 VAL CB C 141 35.600 35.224 0.376 1 1 1405 . 12 1 1 A 141 141 VAL N N 141 123.900 128.185 -4.285 1 1 1406 . 12 1 1 A 142 142 VAL H H 142 8.430 8.400 0.030 1 1 1407 . 12 1 1 A 142 142 VAL HA H 142 5.220 5.035 0.185 1 1 1415 . 12 1 1 A 142 142 VAL C C 142 170.000 172.543 -2.543 1 1 1416 . 12 1 1 A 142 142 VAL CA C 142 57.600 58.745 -1.145 1 1 1417 . 12 1 1 A 142 142 VAL CB C 142 35.500 34.333 1.167 1 1 1420 . 12 1 1 A 142 142 VAL N N 142 124.600 126.591 -1.991 1 1 1421 . 12 1 1 A 143 143 ALA H H 143 8.220 9.011 -0.791 1 1 1422 . 12 1 1 A 143 143 ALA HA H 143 4.680 5.026 -0.346 1 1 1426 . 12 1 1 A 143 143 ALA C C 143 175.400 175.437 -0.037 1 1 1427 . 12 1 1 A 143 143 ALA CA C 143 49.900 49.930 -0.030 1 1 1428 . 12 1 1 A 143 143 ALA CB C 143 19.600 20.407 -0.807 1 1 1429 . 12 1 1 A 143 143 ALA N N 143 129.100 129.632 -0.532 1 1 1430 . 12 1 1 A 144 144 LEU H H 144 9.070 9.037 0.033 1 1 1431 . 12 1 1 A 144 144 LEU HA H 144 4.840 5.165 -0.325 1 1 1441 . 12 1 1 A 144 144 LEU CA C 144 53.400 53.426 -0.026 1 1 1442 . 12 1 1 A 144 144 LEU CB C 144 46.500 43.719 2.781 1 1 1445 . 12 1 1 A 144 144 LEU N N 144 119.600 123.777 -4.177 1 1 1446 . 12 1 1 A 145 145 LEU HA H 145 4.830 4.957 -0.127 1 1 1456 . 12 1 1 A 145 145 LEU CA C 145 51.800 51.198 0.602 1 1 1457 . 12 1 1 A 145 145 LEU CB C 145 41.700 43.106 -1.406 1 1 1461 . 12 1 1 A 146 146 PRO HA H 146 4.330 4.546 -0.216 1 1 1466 . 12 1 1 A 146 146 PRO C C 146 175.700 175.713 -0.013 1 1 1467 . 12 1 1 A 146 146 PRO CA C 146 62.800 62.497 0.303 1 1 1468 . 12 1 1 A 146 146 PRO CB C 146 31.500 32.263 -0.763 1 1 1470 . 12 1 1 A 147 147 ASP H H 147 8.660 8.657 0.003 1 1 1471 . 12 1 1 A 147 147 ASP HA H 147 4.510 4.829 -0.319 1 1 1474 . 12 1 1 A 147 147 ASP C C 147 176.300 176.978 -0.678 1 1 1475 . 12 1 1 A 147 147 ASP CA C 147 54.300 53.396 0.904 1 1 1476 . 12 1 1 A 147 147 ASP CB C 147 42.100 40.719 1.381 1 1 1477 . 12 1 1 A 147 147 ASP N N 147 120.700 122.244 -1.544 1 1 1478 . 12 1 1 A 148 148 GLY H H 148 8.310 8.651 -0.341 1 1 1479 . 12 1 1 A 148 148 GLY HA2 H 148 4.020 4.214 -0.194 1 1 1480 . 12 1 1 A 148 148 GLY HA3 H 148 4.050 4.231 -0.181 1 1 1481 . 12 1 1 A 148 148 GLY C C 148 173.600 175.456 -1.856 1 1 1482 . 12 1 1 A 148 148 GLY CA C 148 45.200 45.403 -0.203 1 1 1483 . 12 1 1 A 148 148 GLY N N 148 109.400 114.038 -4.638 1 1 1484 . 12 1 1 A 149 149 ASP H H 149 8.550 8.163 0.387 1 1 1485 . 12 1 1 A 149 149 ASP HA H 149 4.650 4.424 0.226 1 1 1488 . 12 1 1 A 149 149 ASP C C 149 176.700 176.314 0.386 1 1 1489 . 12 1 1 A 149 149 ASP CA C 149 54.500 56.603 -2.103 1 1 1490 . 12 1 1 A 149 149 ASP CB C 149 41.600 41.208 0.392 1 1 1491 . 12 1 1 A 149 149 ASP N N 149 120.800 119.843 0.957 1 1 1492 . 12 1 1 A 150 150 SER H H 150 8.600 7.717 0.883 1 1 1493 . 12 1 1 A 150 150 SER HA H 150 4.350 4.743 -0.393 1 1 1496 . 12 1 1 A 150 150 SER C C 150 175.000 174.747 0.253 1 1 1497 . 12 1 1 A 150 150 SER CA C 150 58.900 55.764 3.136 1 1 1498 . 12 1 1 A 150 150 SER CB C 150 63.500 65.991 -2.491 1 1 1499 . 12 1 1 A 150 150 SER N N 150 116.400 111.489 4.911 1 1 1500 . 12 1 1 A 151 151 LEU H H 151 8.290 8.527 -0.237 1 1 1501 . 12 1 1 A 151 151 LEU CA C 151 55.500 57.202 -1.702 1 1 1502 . 12 1 1 A 151 151 LEU CB C 151 41.900 42.141 -0.241 1 1 5 . 13 1 1 A 4 4 HIS C C 4 174.800 175.026 -0.226 1 1 6 . 13 1 1 A 4 4 HIS CA C 4 55.900 55.959 -0.059 1 1 7 . 13 1 1 A 4 4 HIS CB C 4 30.000 31.161 -1.161 1 1 8 . 13 1 1 A 5 5 THR H H 5 7.990 7.164 0.826 1 1 9 . 13 1 1 A 5 5 THR C C 5 173.800 173.341 0.459 1 1 10 . 13 1 1 A 5 5 THR CA C 5 61.500 60.068 1.432 1 1 11 . 13 1 1 A 5 5 THR CB C 5 69.900 70.562 -0.662 1 1 12 . 13 1 1 A 5 5 THR N N 5 115.300 110.832 4.468 1 1 13 . 13 1 1 A 6 6 ASP H H 6 8.370 8.868 -0.498 1 1 14 . 13 1 1 A 6 6 ASP HA H 6 4.860 5.226 -0.366 1 1 17 . 13 1 1 A 6 6 ASP CA C 6 52.500 50.376 2.124 1 1 18 . 13 1 1 A 6 6 ASP CB C 6 41.100 41.845 -0.745 1 1 19 . 13 1 1 A 6 6 ASP N N 6 124.400 124.420 -0.020 1 1 20 . 13 1 1 A 7 7 PRO HA H 7 4.350 4.488 -0.138 1 1 26 . 13 1 1 A 7 7 PRO C C 7 176.900 175.038 1.862 1 1 27 . 13 1 1 A 7 7 PRO CA C 7 63.500 63.751 -0.251 1 1 28 . 13 1 1 A 7 7 PRO CB C 7 32.100 31.560 0.540 1 1 31 . 13 1 1 A 8 8 ALA H H 8 8.420 7.425 0.995 1 1 32 . 13 1 1 A 8 8 ALA HA H 8 4.260 4.716 -0.456 1 1 36 . 13 1 1 A 8 8 ALA C C 8 178.100 175.729 2.371 1 1 37 . 13 1 1 A 8 8 ALA CA C 8 52.900 51.053 1.847 1 1 38 . 13 1 1 A 8 8 ALA CB C 8 19.200 23.211 -4.011 1 1 39 . 13 1 1 A 8 8 ALA N N 8 122.700 120.853 1.847 1 1 40 . 13 1 1 A 9 9 THR H H 9 7.880 8.476 -0.596 1 1 41 . 13 1 1 A 9 9 THR HA H 9 4.230 4.374 -0.144 1 1 46 . 13 1 1 A 9 9 THR C C 9 173.800 173.965 -0.165 1 1 47 . 13 1 1 A 9 9 THR CA C 9 61.700 63.686 -1.986 1 1 48 . 13 1 1 A 9 9 THR CB C 9 69.700 68.981 0.719 1 1 50 . 13 1 1 A 9 9 THR N N 9 112.900 114.044 -1.144 1 1 51 . 13 1 1 A 10 10 ALA H H 10 8.160 8.728 -0.568 1 1 52 . 13 1 1 A 10 10 ALA HA H 10 4.340 4.656 -0.316 1 1 56 . 13 1 1 A 10 10 ALA C C 10 177.000 176.364 0.636 1 1 57 . 13 1 1 A 10 10 ALA CA C 10 52.300 51.291 1.009 1 1 58 . 13 1 1 A 10 10 ALA CB C 10 19.400 19.280 0.120 1 1 59 . 13 1 1 A 10 10 ALA N N 10 127.000 129.715 -2.715 1 1 60 . 13 1 1 A 11 11 LEU H H 11 8.040 8.731 -0.691 1 1 61 . 13 1 1 A 11 11 LEU HA H 11 4.640 4.632 0.008 1 1 70 . 13 1 1 A 11 11 LEU C C 11 178.300 175.232 3.068 1 1 71 . 13 1 1 A 11 11 LEU CA C 11 54.000 54.446 -0.446 1 1 72 . 13 1 1 A 11 11 LEU CB C 11 42.900 40.404 2.496 1 1 75 . 13 1 1 A 11 11 LEU N N 11 121.500 124.994 -3.494 1 1 76 . 13 1 1 A 12 12 ASN H H 12 9.700 8.690 1.010 1 1 77 . 13 1 1 A 12 12 ASN HA H 12 4.760 5.267 -0.507 1 1 80 . 13 1 1 A 12 12 ASN C C 12 174.700 174.232 0.468 1 1 81 . 13 1 1 A 12 12 ASN CA C 12 54.100 51.941 2.159 1 1 82 . 13 1 1 A 12 12 ASN CB C 12 38.100 39.812 -1.712 1 1 83 . 13 1 1 A 12 12 ASN N N 12 121.500 124.513 -3.013 1 1 84 . 13 1 1 A 13 13 THR H H 13 8.710 8.910 -0.200 1 1 85 . 13 1 1 A 13 13 THR HA H 13 4.760 4.972 -0.212 1 1 90 . 13 1 1 A 13 13 THR C C 13 173.600 174.709 -1.109 1 1 91 . 13 1 1 A 13 13 THR CA C 13 61.900 61.779 0.121 1 1 92 . 13 1 1 A 13 13 THR CB C 13 71.500 70.256 1.244 1 1 94 . 13 1 1 A 13 13 THR N N 13 121.800 121.742 0.058 1 1 95 . 13 1 1 A 14 14 VAL H H 14 9.500 9.007 0.493 1 1 96 . 13 1 1 A 14 14 VAL HA H 14 4.660 4.104 0.556 1 1 104 . 13 1 1 A 14 14 VAL C C 14 177.000 177.830 -0.830 1 1 105 . 13 1 1 A 14 14 VAL CA C 14 63.800 63.782 0.018 1 1 106 . 13 1 1 A 14 14 VAL CB C 14 30.600 31.313 -0.713 1 1 109 . 13 1 1 A 14 14 VAL N N 14 126.700 126.029 0.671 1 1 110 . 13 1 1 A 15 15 THR H H 15 8.900 8.644 0.256 1 1 111 . 13 1 1 A 15 15 THR HA H 15 4.300 4.207 0.093 1 1 116 . 13 1 1 A 15 15 THR C C 15 174.900 174.863 0.037 1 1 117 . 13 1 1 A 15 15 THR CA C 15 62.800 64.714 -1.914 1 1 118 . 13 1 1 A 15 15 THR CB C 15 68.700 68.857 -0.157 1 1 120 . 13 1 1 A 15 15 THR N N 15 122.000 120.270 1.730 1 1 121 . 13 1 1 A 16 16 ALA H H 16 7.960 7.921 0.039 1 1 122 . 13 1 1 A 16 16 ALA HA H 16 4.360 4.790 -0.430 1 1 126 . 13 1 1 A 16 16 ALA C C 16 174.400 175.160 -0.760 1 1 127 . 13 1 1 A 16 16 ALA CA C 16 52.600 51.358 1.242 1 1 128 . 13 1 1 A 16 16 ALA CB C 16 21.900 21.180 0.720 1 1 129 . 13 1 1 A 16 16 ALA N N 16 120.900 121.472 -0.572 1 1 130 . 13 1 1 A 17 17 TYR H H 17 7.790 9.224 -1.434 1 1 131 . 13 1 1 A 17 17 TYR HA H 17 4.390 4.984 -0.594 1 1 136 . 13 1 1 A 17 17 TYR C C 17 173.000 174.658 -1.658 1 1 137 . 13 1 1 A 17 17 TYR CA C 17 56.400 56.536 -0.136 1 1 138 . 13 1 1 A 17 17 TYR CB C 17 39.700 40.760 -1.060 1 1 141 . 13 1 1 A 17 17 TYR N N 17 114.800 126.673 -11.873 1 1 142 . 13 1 1 A 18 18 GLY H H 18 7.030 7.632 -0.602 1 1 143 . 13 1 1 A 18 18 GLY HA2 H 18 3.210 3.578 -0.368 1 1 144 . 13 1 1 A 18 18 GLY HA3 H 18 3.900 4.162 -0.262 1 1 145 . 13 1 1 A 18 18 GLY C C 18 172.200 174.164 -1.964 1 1 146 . 13 1 1 A 18 18 GLY CA C 18 44.900 43.300 1.600 1 1 147 . 13 1 1 A 18 18 GLY N N 18 108.600 112.219 -3.619 1 1 148 . 13 1 1 A 19 19 ASP H H 19 8.410 8.444 -0.034 1 1 149 . 13 1 1 A 19 19 ASP HA H 19 4.320 4.424 -0.104 1 1 152 . 13 1 1 A 19 19 ASP C C 19 176.500 176.920 -0.420 1 1 153 . 13 1 1 A 19 19 ASP CA C 19 55.600 55.158 0.442 1 1 154 . 13 1 1 A 19 19 ASP CB C 19 39.500 41.417 -1.917 1 1 155 . 13 1 1 A 19 19 ASP N N 19 120.400 118.573 1.827 1 1 156 . 13 1 1 A 20 20 GLY H H 20 8.670 7.879 0.791 1 1 157 . 13 1 1 A 20 20 GLY HA2 H 20 3.670 4.106 -0.436 1 1 158 . 13 1 1 A 20 20 GLY HA3 H 20 4.210 4.159 0.051 1 1 159 . 13 1 1 A 20 20 GLY C C 20 173.900 173.381 0.519 1 1 160 . 13 1 1 A 20 20 GLY CA C 20 45.800 45.517 0.283 1 1 161 . 13 1 1 A 20 20 GLY N N 20 113.500 106.878 6.622 1 1 162 . 13 1 1 A 21 21 TYR H H 21 7.530 7.353 0.177 1 1 163 . 13 1 1 A 21 21 TYR HA H 21 5.480 4.962 0.518 1 1 168 . 13 1 1 A 21 21 TYR C C 21 172.800 172.851 -0.051 1 1 169 . 13 1 1 A 21 21 TYR CA C 21 56.700 56.652 0.048 1 1 170 . 13 1 1 A 21 21 TYR CB C 21 41.400 40.100 1.300 1 1 173 . 13 1 1 A 21 21 TYR N N 21 114.300 116.517 -2.217 1 1 174 . 13 1 1 A 22 22 ILE H H 22 8.780 8.300 0.480 1 1 175 . 13 1 1 A 22 22 ILE HA H 22 4.350 4.600 -0.250 1 1 185 . 13 1 1 A 22 22 ILE C C 22 173.800 174.451 -0.651 1 1 186 . 13 1 1 A 22 22 ILE CA C 22 60.200 60.868 -0.668 1 1 187 . 13 1 1 A 22 22 ILE CB C 22 41.700 39.967 1.733 1 1 191 . 13 1 1 A 22 22 ILE N N 22 119.300 121.676 -2.376 1 1 192 . 13 1 1 A 23 23 GLU H H 23 9.010 9.366 -0.356 1 1 193 . 13 1 1 A 23 23 GLU HA H 23 5.680 5.367 0.313 1 1 198 . 13 1 1 A 23 23 GLU C C 23 175.000 175.378 -0.378 1 1 199 . 13 1 1 A 23 23 GLU CA C 23 54.300 55.091 -0.791 1 1 200 . 13 1 1 A 23 23 GLU CB C 23 33.500 32.038 1.462 1 1 202 . 13 1 1 A 23 23 GLU N N 23 127.800 129.331 -1.531 1 1 203 . 13 1 1 A 24 24 VAL H H 24 8.980 8.956 0.024 1 1 204 . 13 1 1 A 24 24 VAL HA H 24 4.840 4.640 0.200 1 1 212 . 13 1 1 A 24 24 VAL C C 24 177.300 176.161 1.139 1 1 213 . 13 1 1 A 24 24 VAL CA C 24 60.600 60.940 -0.340 1 1 214 . 13 1 1 A 24 24 VAL CB C 24 33.600 34.212 -0.612 1 1 217 . 13 1 1 A 24 24 VAL N N 24 125.400 127.143 -1.743 1 1 218 . 13 1 1 A 25 25 ASN H H 25 9.340 8.999 0.341 1 1 219 . 13 1 1 A 25 25 ASN HA H 25 4.340 4.373 -0.033 1 1 222 . 13 1 1 A 25 25 ASN C C 25 173.800 174.942 -1.142 1 1 223 . 13 1 1 A 25 25 ASN CA C 25 54.600 55.538 -0.938 1 1 224 . 13 1 1 A 25 25 ASN CB C 25 36.600 37.136 -0.536 1 1 225 . 13 1 1 A 25 25 ASN N N 25 127.800 121.228 6.572 1 1 226 . 13 1 1 A 26 26 GLN H H 26 7.920 8.170 -0.250 1 1 227 . 13 1 1 A 26 26 GLN HA H 26 3.670 4.435 -0.765 1 1 232 . 13 1 1 A 26 26 GLN C C 26 174.400 174.196 0.204 1 1 233 . 13 1 1 A 26 26 GLN CA C 26 58.100 55.215 2.885 1 1 234 . 13 1 1 A 26 26 GLN CB C 26 26.500 30.386 -3.886 1 1 236 . 13 1 1 A 26 26 GLN N N 26 104.100 119.059 -14.959 1 1 237 . 13 1 1 A 27 27 VAL H H 27 7.850 7.613 0.237 1 1 238 . 13 1 1 A 27 27 VAL HA H 27 3.900 4.305 -0.405 1 1 246 . 13 1 1 A 27 27 VAL C C 27 174.200 174.134 0.066 1 1 247 . 13 1 1 A 27 27 VAL CA C 27 62.100 61.084 1.016 1 1 248 . 13 1 1 A 27 27 VAL CB C 27 32.500 33.728 -1.228 1 1 251 . 13 1 1 A 27 27 VAL N N 27 123.100 120.099 3.001 1 1 252 . 13 1 1 A 28 28 ARG H H 28 8.430 8.577 -0.147 1 1 253 . 13 1 1 A 28 28 ARG HA H 28 4.320 4.647 -0.327 1 1 256 . 13 1 1 A 28 28 ARG C C 28 175.200 174.750 0.450 1 1 257 . 13 1 1 A 28 28 ARG CA C 28 57.100 55.510 1.590 1 1 258 . 13 1 1 A 28 28 ARG CB C 28 31.300 30.933 0.367 1 1 259 . 13 1 1 A 28 28 ARG N N 28 126.200 128.285 -2.085 1 1 260 . 13 1 1 A 29 29 PHE H H 29 9.290 9.427 -0.137 1 1 261 . 13 1 1 A 29 29 PHE HA H 29 4.580 4.868 -0.288 1 1 266 . 13 1 1 A 29 29 PHE C C 29 175.800 175.632 0.168 1 1 267 . 13 1 1 A 29 29 PHE CA C 29 57.700 57.596 0.104 1 1 268 . 13 1 1 A 29 29 PHE CB C 29 42.000 40.154 1.846 1 1 271 . 13 1 1 A 29 29 PHE N N 29 123.900 126.389 -2.489 1 1 272 . 13 1 1 A 30 30 SER H H 30 8.950 8.960 -0.010 1 1 273 . 13 1 1 A 30 30 SER HA H 30 5.130 4.916 0.214 1 1 276 . 13 1 1 A 30 30 SER C C 30 172.900 173.642 -0.742 1 1 277 . 13 1 1 A 30 30 SER CA C 30 57.000 58.215 -1.215 1 1 278 . 13 1 1 A 30 30 SER CB C 30 63.200 63.673 -0.473 1 1 279 . 13 1 1 A 30 30 SER N N 30 119.400 120.194 -0.794 1 1 280 . 13 1 1 A 31 31 HIS H H 31 7.170 7.581 -0.411 1 1 281 . 13 1 1 A 31 31 HIS HA H 31 4.840 5.217 -0.377 1 1 284 . 13 1 1 A 31 31 HIS C C 31 171.900 172.973 -1.073 1 1 285 . 13 1 1 A 31 31 HIS CA C 31 53.200 53.867 -0.667 1 1 286 . 13 1 1 A 31 31 HIS CB C 31 31.100 32.144 -1.044 1 1 287 . 13 1 1 A 31 31 HIS N N 31 114.600 116.887 -2.287 1 1 288 . 13 1 1 A 32 32 ALA H H 32 8.930 8.439 0.491 1 1 289 . 13 1 1 A 32 32 ALA HA H 32 5.050 4.672 0.378 1 1 293 . 13 1 1 A 32 32 ALA C C 32 179.000 177.558 1.442 1 1 294 . 13 1 1 A 32 32 ALA CA C 32 53.700 52.520 1.180 1 1 295 . 13 1 1 A 32 32 ALA CB C 32 20.700 19.626 1.074 1 1 296 . 13 1 1 A 32 32 ALA N N 32 120.200 122.381 -2.181 1 1 297 . 13 1 1 A 33 33 ILE H H 33 8.280 8.620 -0.340 1 1 298 . 13 1 1 A 33 33 ILE HA H 33 5.520 4.922 0.598 1 1 308 . 13 1 1 A 33 33 ILE C C 33 173.400 174.577 -1.177 1 1 309 . 13 1 1 A 33 33 ILE CA C 33 59.500 59.202 0.298 1 1 310 . 13 1 1 A 33 33 ILE CB C 33 44.500 41.652 2.848 1 1 313 . 13 1 1 A 33 33 ILE N N 33 115.800 117.083 -1.283 1 1 314 . 13 1 1 A 34 34 ALA H H 34 8.900 8.686 0.214 1 1 315 . 13 1 1 A 34 34 ALA HA H 34 5.290 5.365 -0.075 1 1 319 . 13 1 1 A 34 34 ALA C C 34 176.100 176.054 0.046 1 1 320 . 13 1 1 A 34 34 ALA CA C 34 51.100 50.310 0.790 1 1 321 . 13 1 1 A 34 34 ALA CB C 34 21.900 21.237 0.663 1 1 322 . 13 1 1 A 34 34 ALA N N 34 121.600 125.918 -4.318 1 1 323 . 13 1 1 A 35 35 PHE H H 35 8.580 8.350 0.230 1 1 324 . 13 1 1 A 35 35 PHE HA H 35 4.740 5.360 -0.620 1 1 330 . 13 1 1 A 35 35 PHE C C 35 170.000 172.639 -2.639 1 1 331 . 13 1 1 A 35 35 PHE CA C 35 57.100 55.516 1.584 1 1 332 . 13 1 1 A 35 35 PHE CB C 35 39.700 41.973 -2.273 1 1 336 . 13 1 1 A 35 35 PHE N N 35 116.600 117.961 -1.361 1 1 337 . 13 1 1 A 36 36 ALA H H 36 8.730 8.647 0.083 1 1 338 . 13 1 1 A 36 36 ALA HA H 36 5.170 4.807 0.363 1 1 342 . 13 1 1 A 36 36 ALA CA C 36 49.100 49.865 -0.765 1 1 343 . 13 1 1 A 36 36 ALA CB C 36 20.500 22.135 -1.635 1 1 344 . 13 1 1 A 36 36 ALA N N 36 123.400 120.667 2.733 1 1 345 . 13 1 1 A 37 37 PRO HA H 37 4.740 4.591 0.149 1 1 350 . 13 1 1 A 37 37 PRO C C 37 176.500 177.603 -1.103 1 1 351 . 13 1 1 A 37 37 PRO CA C 37 66.200 65.011 1.189 1 1 352 . 13 1 1 A 37 37 PRO CB C 37 33.600 31.656 1.944 1 1 354 . 13 1 1 A 38 38 GLU H H 38 7.450 8.617 -1.167 1 1 355 . 13 1 1 A 38 38 GLU HA H 38 4.790 4.518 0.272 1 1 360 . 13 1 1 A 38 38 GLU C C 38 177.300 176.028 1.272 1 1 361 . 13 1 1 A 38 38 GLU CA C 38 54.200 56.438 -2.238 1 1 362 . 13 1 1 A 38 38 GLU CB C 38 32.600 30.137 2.463 1 1 364 . 13 1 1 A 38 38 GLU N N 38 110.100 116.457 -6.357 1 1 365 . 13 1 1 A 39 39 GLY H H 39 8.600 7.765 0.835 1 1 366 . 13 1 1 A 39 39 GLY HA2 H 39 3.920 4.136 -0.216 1 1 367 . 13 1 1 A 39 39 GLY HA3 H 39 4.440 4.139 0.301 1 1 368 . 13 1 1 A 39 39 GLY CA C 39 44.400 45.019 -0.619 1 1 369 . 13 1 1 A 39 39 GLY N N 39 109.500 107.585 1.915 1 1 370 . 13 1 1 A 40 40 PRO HA H 40 4.550 4.640 -0.090 1 1 375 . 13 1 1 A 40 40 PRO C C 40 177.100 175.397 1.703 1 1 376 . 13 1 1 A 40 40 PRO CA C 40 62.500 62.379 0.121 1 1 377 . 13 1 1 A 40 40 PRO CB C 40 32.700 33.194 -0.494 1 1 378 . 13 1 1 A 41 41 VAL H H 41 8.530 8.377 0.153 1 1 379 . 13 1 1 A 41 41 VAL HA H 41 3.900 4.445 -0.545 1 1 387 . 13 1 1 A 41 41 VAL C C 41 175.200 175.020 0.180 1 1 388 . 13 1 1 A 41 41 VAL CA C 41 63.000 61.216 1.784 1 1 389 . 13 1 1 A 41 41 VAL CB C 41 31.100 33.099 -1.999 1 1 392 . 13 1 1 A 41 41 VAL N N 41 123.000 119.311 3.689 1 1 393 . 13 1 1 A 42 42 ALA H H 42 8.320 9.355 -1.035 1 1 394 . 13 1 1 A 42 42 ALA HA H 42 4.750 4.912 -0.162 1 1 398 . 13 1 1 A 42 42 ALA C C 42 177.400 176.682 0.718 1 1 399 . 13 1 1 A 42 42 ALA CA C 42 50.800 50.862 -0.062 1 1 400 . 13 1 1 A 42 42 ALA CB C 42 21.400 20.095 1.305 1 1 401 . 13 1 1 A 42 42 ALA N N 42 131.300 131.450 -0.150 1 1 402 . 13 1 1 A 43 43 SER H H 43 8.660 8.696 -0.036 1 1 403 . 13 1 1 A 43 43 SER HA H 43 4.690 4.871 -0.181 1 1 406 . 13 1 1 A 43 43 SER CA C 43 59.000 58.056 0.944 1 1 407 . 13 1 1 A 43 43 SER CB C 43 62.800 63.626 -0.826 1 1 408 . 13 1 1 A 43 43 SER N N 43 115.400 116.659 -1.259 1 1 409 . 13 1 1 A 44 44 TRP HA H 44 5.470 5.151 0.319 1 1 418 . 13 1 1 A 44 44 TRP CA C 44 52.200 55.005 -2.805 1 1 419 . 13 1 1 A 44 44 TRP CB C 44 31.000 31.608 -0.608 1 1 426 . 13 1 1 A 45 45 PRO HA H 45 4.550 4.498 0.052 1 1 431 . 13 1 1 A 45 45 PRO C C 45 173.000 176.057 -3.057 1 1 432 . 13 1 1 A 45 45 PRO CA C 45 63.300 63.766 -0.466 1 1 433 . 13 1 1 A 45 45 PRO CB C 45 27.800 32.123 -4.323 1 1 435 . 13 1 1 A 46 46 VAL H H 46 8.390 7.683 0.707 1 1 436 . 13 1 1 A 46 46 VAL HA H 46 3.770 4.002 -0.232 1 1 444 . 13 1 1 A 46 46 VAL C C 46 174.100 175.714 -1.614 1 1 445 . 13 1 1 A 46 46 VAL CA C 46 61.100 61.707 -0.607 1 1 446 . 13 1 1 A 46 46 VAL CB C 46 35.200 31.754 3.446 1 1 449 . 13 1 1 A 46 46 VAL N N 46 124.300 121.550 2.750 1 1 450 . 13 1 1 A 47 47 GLN H H 47 8.970 8.678 0.292 1 1 451 . 13 1 1 A 47 47 GLN HA H 47 4.430 4.666 -0.236 1 1 456 . 13 1 1 A 47 47 GLN C C 47 175.100 175.785 -0.685 1 1 457 . 13 1 1 A 47 47 GLN CA C 47 56.400 56.653 -0.253 1 1 458 . 13 1 1 A 47 47 GLN CB C 47 30.900 30.813 0.087 1 1 459 . 13 1 1 A 47 47 GLN N N 47 122.000 126.627 -4.627 1 1 460 . 13 1 1 A 48 48 ARG H H 48 7.720 7.544 0.176 1 1 461 . 13 1 1 A 48 48 ARG HA H 48 4.750 4.640 0.110 1 1 468 . 13 1 1 A 48 48 ARG CA C 48 52.800 52.350 0.450 1 1 469 . 13 1 1 A 48 48 ARG CB C 48 30.500 31.768 -1.268 1 1 471 . 13 1 1 A 48 48 ARG N N 48 116.600 118.583 -1.983 1 1 472 . 13 1 1 A 49 49 PRO HA H 49 3.750 4.368 -0.618 1 1 477 . 13 1 1 A 49 49 PRO C C 49 177.500 176.787 0.713 1 1 478 . 13 1 1 A 49 49 PRO CA C 49 65.400 63.949 1.451 1 1 479 . 13 1 1 A 49 49 PRO CB C 49 30.700 31.608 -0.908 1 1 481 . 13 1 1 A 50 50 ALA H H 50 7.960 8.101 -0.141 1 1 482 . 13 1 1 A 50 50 ALA HA H 50 4.010 4.276 -0.266 1 1 486 . 13 1 1 A 50 50 ALA C C 50 177.300 177.636 -0.336 1 1 487 . 13 1 1 A 50 50 ALA CA C 50 53.800 52.986 0.814 1 1 488 . 13 1 1 A 50 50 ALA CB C 50 18.500 18.953 -0.453 1 1 489 . 13 1 1 A 50 50 ALA N N 50 117.200 121.693 -4.493 1 1 490 . 13 1 1 A 51 51 ASP H H 51 7.570 7.860 -0.290 1 1 491 . 13 1 1 A 51 51 ASP HA H 51 4.410 4.686 -0.276 1 1 494 . 13 1 1 A 51 51 ASP C C 51 176.000 175.302 0.698 1 1 495 . 13 1 1 A 51 51 ASP CA C 51 54.200 53.860 0.340 1 1 496 . 13 1 1 A 51 51 ASP CB C 51 41.900 41.636 0.264 1 1 497 . 13 1 1 A 51 51 ASP N N 51 114.800 116.507 -1.707 1 1 498 . 13 1 1 A 52 52 ILE H H 52 7.290 7.361 -0.071 1 1 499 . 13 1 1 A 52 52 ILE HA H 52 3.100 4.016 -0.916 1 1 509 . 13 1 1 A 52 52 ILE C C 52 174.800 175.548 -0.748 1 1 510 . 13 1 1 A 52 52 ILE CA C 52 65.100 60.431 4.669 1 1 511 . 13 1 1 A 52 52 ILE CB C 52 37.100 37.700 -0.600 1 1 515 . 13 1 1 A 52 52 ILE N N 52 117.700 121.682 -3.982 1 1 516 . 13 1 1 A 53 53 THR H H 53 6.560 8.380 -1.820 1 1 517 . 13 1 1 A 53 53 THR HA H 53 4.720 4.768 -0.048 1 1 522 . 13 1 1 A 53 53 THR C C 53 174.600 176.091 -1.491 1 1 523 . 13 1 1 A 53 53 THR CA C 53 58.500 60.000 -1.500 1 1 524 . 13 1 1 A 53 53 THR CB C 53 72.900 72.091 0.809 1 1 526 . 13 1 1 A 53 53 THR N N 53 117.300 118.460 -1.160 1 1 527 . 13 1 1 A 54 54 ALA H H 54 9.340 9.172 0.168 1 1 528 . 13 1 1 A 54 54 ALA HA H 54 4.460 4.064 0.396 1 1 532 . 13 1 1 A 54 54 ALA C C 54 167.400 180.069 -12.669 1 1 533 . 13 1 1 A 54 54 ALA CA C 54 55.800 55.197 0.603 1 1 534 . 13 1 1 A 54 54 ALA CB C 54 18.200 18.299 -0.099 1 1 535 . 13 1 1 A 54 54 ALA N N 54 123.800 124.817 -1.017 1 1 536 . 13 1 1 A 55 55 SER H H 55 8.530 8.261 0.269 1 1 537 . 13 1 1 A 55 55 SER HA H 55 4.280 4.202 0.078 1 1 541 . 13 1 1 A 55 55 SER C C 55 177.700 177.692 0.008 1 1 542 . 13 1 1 A 55 55 SER CA C 55 61.600 61.550 0.050 1 1 543 . 13 1 1 A 55 55 SER CB C 55 62.600 62.433 0.167 1 1 544 . 13 1 1 A 55 55 SER N N 55 112.600 112.971 -0.371 1 1 545 . 13 1 1 A 56 56 LEU H H 56 7.810 7.919 -0.109 1 1 546 . 13 1 1 A 56 56 LEU HA H 56 4.280 4.178 0.102 1 1 556 . 13 1 1 A 56 56 LEU C C 56 168.100 179.525 -11.425 1 1 557 . 13 1 1 A 56 56 LEU CA C 56 57.900 57.930 -0.030 1 1 558 . 13 1 1 A 56 56 LEU CB C 56 42.100 41.279 0.821 1 1 562 . 13 1 1 A 56 56 LEU N N 56 122.500 123.127 -0.627 1 1 563 . 13 1 1 A 57 57 LEU H H 57 8.490 8.093 0.397 1 1 564 . 13 1 1 A 57 57 LEU HA H 57 4.180 4.119 0.061 1 1 574 . 13 1 1 A 57 57 LEU C C 57 178.000 179.506 -1.506 1 1 575 . 13 1 1 A 57 57 LEU CA C 57 58.300 58.210 0.090 1 1 576 . 13 1 1 A 57 57 LEU CB C 57 41.200 41.134 0.066 1 1 580 . 13 1 1 A 57 57 LEU N N 57 123.900 119.980 3.920 1 1 581 . 13 1 1 A 58 58 GLN H H 58 8.500 8.023 0.477 1 1 582 . 13 1 1 A 58 58 GLN HA H 58 3.680 4.057 -0.377 1 1 589 . 13 1 1 A 58 58 GLN C C 58 178.200 179.074 -0.874 1 1 590 . 13 1 1 A 58 58 GLN CA C 58 60.200 59.280 0.920 1 1 591 . 13 1 1 A 58 58 GLN CB C 58 28.500 28.033 0.467 1 1 593 . 13 1 1 A 58 58 GLN N N 58 118.800 118.365 0.435 1 1 595 . 13 1 1 A 59 59 GLN H H 59 8.300 7.798 0.502 1 1 596 . 13 1 1 A 59 59 GLN HA H 59 4.090 4.061 0.029 1 1 601 . 13 1 1 A 59 59 GLN C C 59 179.900 178.313 1.587 1 1 602 . 13 1 1 A 59 59 GLN CA C 59 58.900 58.948 -0.048 1 1 603 . 13 1 1 A 59 59 GLN CB C 59 28.800 28.822 -0.022 1 1 605 . 13 1 1 A 59 59 GLN N N 59 118.600 119.715 -1.115 1 1 606 . 13 1 1 A 60 60 ALA H H 60 7.850 8.109 -0.259 1 1 607 . 13 1 1 A 60 60 ALA HA H 60 3.580 3.822 -0.242 1 1 611 . 13 1 1 A 60 60 ALA C C 60 176.700 179.778 -3.078 1 1 612 . 13 1 1 A 60 60 ALA CA C 60 54.700 54.357 0.343 1 1 613 . 13 1 1 A 60 60 ALA CB C 60 17.400 17.598 -0.198 1 1 614 . 13 1 1 A 60 60 ALA N N 60 122.500 122.030 0.470 1 1 615 . 13 1 1 A 61 61 ALA H H 61 7.540 7.363 0.177 1 1 616 . 13 1 1 A 61 61 ALA HA H 61 3.970 4.230 -0.260 1 1 620 . 13 1 1 A 61 61 ALA C C 61 176.300 177.744 -1.444 1 1 621 . 13 1 1 A 61 61 ALA CA C 61 52.400 51.915 0.485 1 1 622 . 13 1 1 A 61 61 ALA CB C 61 19.100 19.113 -0.013 1 1 623 . 13 1 1 A 61 61 ALA N N 61 113.700 118.019 -4.319 1 1 624 . 13 1 1 A 62 62 GLY H H 62 7.600 7.631 -0.031 1 1 625 . 13 1 1 A 62 62 GLY HA2 H 62 3.890 3.909 -0.019 1 1 626 . 13 1 1 A 62 62 GLY HA3 H 62 3.980 3.912 0.068 1 1 627 . 13 1 1 A 62 62 GLY C C 62 175.400 175.172 0.228 1 1 628 . 13 1 1 A 62 62 GLY CA C 62 45.800 45.858 -0.058 1 1 629 . 13 1 1 A 62 62 GLY N N 62 104.800 106.183 -1.383 1 1 630 . 13 1 1 A 63 63 LEU H H 63 7.770 7.595 0.175 1 1 631 . 13 1 1 A 63 63 LEU HA H 63 4.430 4.423 0.007 1 1 640 . 13 1 1 A 63 63 LEU C C 63 176.400 177.480 -1.080 1 1 641 . 13 1 1 A 63 63 LEU CA C 63 54.000 54.786 -0.786 1 1 642 . 13 1 1 A 63 63 LEU CB C 63 42.500 41.161 1.339 1 1 645 . 13 1 1 A 63 63 LEU N N 63 119.100 119.565 -0.465 1 1 646 . 13 1 1 A 64 64 ALA H H 64 8.060 7.830 0.230 1 1 647 . 13 1 1 A 64 64 ALA HA H 64 4.160 4.416 -0.256 1 1 651 . 13 1 1 A 64 64 ALA C C 64 177.300 176.768 0.532 1 1 652 . 13 1 1 A 64 64 ALA CA C 64 52.700 52.354 0.346 1 1 653 . 13 1 1 A 64 64 ALA CB C 64 19.700 20.026 -0.326 1 1 654 . 13 1 1 A 64 64 ALA N N 64 122.900 120.622 2.278 1 1 655 . 13 1 1 A 65 65 GLU H H 65 8.260 7.639 0.621 1 1 656 . 13 1 1 A 65 65 GLU C C 65 176.300 174.940 1.360 1 1 657 . 13 1 1 A 65 65 GLU CA C 65 56.400 54.758 1.642 1 1 658 . 13 1 1 A 65 65 GLU CB C 65 30.100 32.328 -2.228 1 1 659 . 13 1 1 A 65 65 GLU N N 65 118.900 118.489 0.411 1 1 660 . 13 1 1 A 66 66 VAL H H 66 7.960 8.829 -0.869 1 1 661 . 13 1 1 A 66 66 VAL HA H 66 4.020 4.320 -0.300 1 1 663 . 13 1 1 A 66 66 VAL C C 66 175.900 175.542 0.358 1 1 664 . 13 1 1 A 66 66 VAL CA C 66 62.300 62.266 0.034 1 1 665 . 13 1 1 A 66 66 VAL CB C 66 32.800 32.118 0.682 1 1 666 . 13 1 1 A 66 66 VAL N N 66 121.500 127.409 -5.909 1 1 667 . 13 1 1 A 67 67 VAL H H 67 8.210 8.862 -0.652 1 1 668 . 13 1 1 A 67 67 VAL C C 67 175.800 175.273 0.527 1 1 669 . 13 1 1 A 67 67 VAL CA C 67 62.200 61.669 0.531 1 1 670 . 13 1 1 A 67 67 VAL CB C 67 32.600 32.381 0.219 1 1 671 . 13 1 1 A 67 67 VAL N N 67 124.900 128.786 -3.886 1 1 672 . 13 1 1 A 68 68 ARG H H 68 8.380 8.828 -0.448 1 1 673 . 13 1 1 A 68 68 ARG HA H 68 4.270 4.938 -0.668 1 1 674 . 13 1 1 A 68 68 ARG C C 68 175.400 175.150 0.250 1 1 675 . 13 1 1 A 68 68 ARG CA C 68 55.700 53.975 1.725 1 1 676 . 13 1 1 A 68 68 ARG CB C 68 31.100 33.697 -2.597 1 1 677 . 13 1 1 A 68 68 ARG N N 68 125.900 126.800 -0.900 1 1 678 . 13 1 1 A 69 69 ASP H H 69 8.390 8.698 -0.308 1 1 679 . 13 1 1 A 69 69 ASP HA H 69 4.800 4.924 -0.124 1 1 682 . 13 1 1 A 69 69 ASP CA C 69 51.700 52.781 -1.081 1 1 683 . 13 1 1 A 69 69 ASP CB C 69 41.700 39.711 1.989 1 1 684 . 13 1 1 A 69 69 ASP N N 69 123.600 121.925 1.675 1 1 685 . 13 1 1 A 70 70 PRO HA H 70 4.290 4.653 -0.363 1 1 688 . 13 1 1 A 70 70 PRO C C 70 177.500 177.170 0.330 1 1 689 . 13 1 1 A 70 70 PRO CA C 70 64.100 63.014 1.086 1 1 690 . 13 1 1 A 70 70 PRO CB C 70 32.300 32.796 -0.496 1 1 691 . 13 1 1 A 71 71 LEU H H 71 8.280 8.507 -0.227 1 1 692 . 13 1 1 A 71 71 LEU HA H 71 4.260 4.167 0.093 1 1 698 . 13 1 1 A 71 71 LEU C C 71 177.600 177.793 -0.193 1 1 699 . 13 1 1 A 71 71 LEU CA C 71 55.100 56.547 -1.447 1 1 700 . 13 1 1 A 71 71 LEU CB C 71 41.200 41.238 -0.038 1 1 702 . 13 1 1 A 71 71 LEU N N 71 118.400 123.019 -4.619 1 1 703 . 13 1 1 A 72 72 ALA H H 72 7.660 7.553 0.107 1 1 704 . 13 1 1 A 72 72 ALA HA H 72 4.170 4.201 -0.031 1 1 708 . 13 1 1 A 72 72 ALA C C 72 177.400 176.072 1.328 1 1 709 . 13 1 1 A 72 72 ALA CA C 72 52.600 52.423 0.177 1 1 710 . 13 1 1 A 72 72 ALA CB C 72 19.200 19.224 -0.024 1 1 711 . 13 1 1 A 72 72 ALA N N 72 122.900 120.587 2.313 1 1 712 . 13 1 1 A 73 73 PHE H H 73 7.940 7.691 0.249 1 1 713 . 13 1 1 A 73 73 PHE HA H 73 4.510 5.099 -0.589 1 1 717 . 13 1 1 A 73 73 PHE C C 73 175.600 174.329 1.271 1 1 718 . 13 1 1 A 73 73 PHE CA C 73 57.800 56.424 1.376 1 1 719 . 13 1 1 A 73 73 PHE CB C 73 39.100 40.563 -1.463 1 1 720 . 13 1 1 A 73 73 PHE N N 73 118.200 117.259 0.941 1 1 721 . 13 1 1 A 74 74 LEU H H 74 7.890 9.017 -1.127 1 1 722 . 13 1 1 A 74 74 LEU CA C 74 55.200 54.076 1.124 1 1 723 . 13 1 1 A 74 74 LEU CB C 74 42.400 44.251 -1.851 1 1 724 . 13 1 1 A 74 74 LEU N N 74 122.600 126.079 -3.479 1 1 725 . 13 1 1 A 78 78 GLU C C 78 176.600 176.457 0.143 1 1 726 . 13 1 1 A 78 78 GLU CA C 78 57.500 57.963 -0.463 1 1 727 . 13 1 1 A 78 78 GLU CB C 78 30.100 30.633 -0.533 1 1 728 . 13 1 1 A 79 79 ALA H H 79 8.460 7.560 0.900 1 1 729 . 13 1 1 A 79 79 ALA C C 79 178.300 177.898 0.402 1 1 730 . 13 1 1 A 79 79 ALA CA C 79 52.900 51.536 1.364 1 1 731 . 13 1 1 A 79 79 ALA CB C 79 19.200 21.306 -2.106 1 1 732 . 13 1 1 A 79 79 ALA N N 79 124.700 121.798 2.902 1 1 733 . 13 1 1 A 80 80 GLY H H 80 8.330 8.644 -0.314 1 1 734 . 13 1 1 A 80 80 GLY C C 80 174.100 174.840 -0.740 1 1 735 . 13 1 1 A 80 80 GLY CA C 80 45.100 44.235 0.865 1 1 736 . 13 1 1 A 80 80 GLY N N 80 108.200 106.829 1.371 1 1 737 . 13 1 1 A 81 81 ALA H H 81 8.140 8.264 -0.124 1 1 738 . 13 1 1 A 81 81 ALA HA H 81 4.170 3.930 0.240 1 1 739 . 13 1 1 A 81 81 ALA C C 81 178.400 177.723 0.677 1 1 740 . 13 1 1 A 81 81 ALA CA C 81 52.800 55.054 -2.254 1 1 741 . 13 1 1 A 81 81 ALA CB C 81 19.200 17.619 1.581 1 1 742 . 13 1 1 A 81 81 ALA N N 81 123.600 121.256 2.344 1 1 743 . 13 1 1 A 82 82 GLY H H 82 8.400 8.569 -0.169 1 1 744 . 13 1 1 A 82 82 GLY HA2 H 82 3.860 3.937 -0.077 1 1 745 . 13 1 1 A 82 82 GLY HA3 H 82 2.880 3.939 -1.059 1 1 746 . 13 1 1 A 82 82 GLY C C 82 173.600 175.155 -1.555 1 1 747 . 13 1 1 A 82 82 GLY CA C 82 45.200 45.561 -0.361 1 1 748 . 13 1 1 A 82 82 GLY N N 82 108.000 104.967 3.033 1 1 749 . 13 1 1 A 83 83 ALA H H 83 7.980 8.099 -0.119 1 1 750 . 13 1 1 A 83 83 ALA HA H 83 4.280 3.953 0.327 1 1 754 . 13 1 1 A 83 83 ALA C C 83 177.200 176.008 1.192 1 1 755 . 13 1 1 A 83 83 ALA CA C 83 52.100 53.538 -1.438 1 1 756 . 13 1 1 A 83 83 ALA CB C 83 19.500 17.804 1.696 1 1 757 . 13 1 1 A 83 83 ALA N N 83 123.300 120.195 3.105 1 1 758 . 13 1 1 A 84 84 ARG H H 84 8.240 8.132 0.108 1 1 759 . 13 1 1 A 84 84 ARG HA H 84 4.610 4.811 -0.201 1 1 762 . 13 1 1 A 84 84 ARG CA C 84 54.000 53.068 0.932 1 1 763 . 13 1 1 A 84 84 ARG CB C 84 30.500 31.096 -0.596 1 1 764 . 13 1 1 A 84 84 ARG N N 84 121.700 117.142 4.558 1 1 765 . 13 1 1 A 85 85 PRO HA H 85 4.390 4.315 0.075 1 1 770 . 13 1 1 A 85 85 PRO C C 85 177.000 177.567 -0.567 1 1 771 . 13 1 1 A 85 85 PRO CA C 85 62.900 65.677 -2.777 1 1 772 . 13 1 1 A 85 85 PRO CB C 85 32.200 31.667 0.533 1 1 773 . 13 1 1 A 86 86 ALA H H 86 8.600 8.165 0.435 1 1 774 . 13 1 1 A 86 86 ALA HA H 86 4.150 4.183 -0.033 1 1 778 . 13 1 1 A 86 86 ALA C C 86 177.800 178.375 -0.575 1 1 779 . 13 1 1 A 86 86 ALA CA C 86 53.400 53.800 -0.400 1 1 780 . 13 1 1 A 86 86 ALA CB C 86 18.900 18.383 0.517 1 1 781 . 13 1 1 A 86 86 ALA N N 86 124.900 119.085 5.815 1 1 782 . 13 1 1 A 87 87 ASN H H 87 8.380 8.107 0.273 1 1 783 . 13 1 1 A 87 87 ASN HA H 87 4.590 4.634 -0.044 1 1 786 . 13 1 1 A 87 87 ASN C C 87 174.400 175.921 -1.521 1 1 787 . 13 1 1 A 87 87 ASN CA C 87 52.600 55.512 -2.912 1 1 788 . 13 1 1 A 87 87 ASN CB C 87 38.300 38.922 -0.622 1 1 789 . 13 1 1 A 87 87 ASN N N 87 114.900 115.356 -0.456 1 1 790 . 13 1 1 A 88 88 ALA H H 88 7.800 7.428 0.372 1 1 791 . 13 1 1 A 88 88 ALA HA H 88 4.400 4.446 -0.046 1 1 795 . 13 1 1 A 88 88 ALA CA C 88 50.400 50.700 -0.300 1 1 796 . 13 1 1 A 88 88 ALA CB C 88 17.900 18.766 -0.866 1 1 797 . 13 1 1 A 88 88 ALA N N 88 123.600 121.700 1.900 1 1 798 . 13 1 1 A 89 89 PRO HA H 89 4.390 4.643 -0.253 1 1 805 . 13 1 1 A 89 89 PRO C C 89 175.000 177.801 -2.801 1 1 806 . 13 1 1 A 89 89 PRO CA C 89 62.400 62.998 -0.598 1 1 807 . 13 1 1 A 89 89 PRO CB C 89 31.700 31.693 0.007 1 1 810 . 13 1 1 A 90 90 GLU H H 90 9.000 8.625 0.375 1 1 811 . 13 1 1 A 90 90 GLU HA H 90 4.310 4.108 0.202 1 1 814 . 13 1 1 A 90 90 GLU C C 90 177.300 175.920 1.380 1 1 815 . 13 1 1 A 90 90 GLU CA C 90 58.000 59.635 -1.635 1 1 816 . 13 1 1 A 90 90 GLU CB C 90 31.400 30.242 1.158 1 1 817 . 13 1 1 A 90 90 GLU N N 90 117.700 123.751 -6.051 1 1 818 . 13 1 1 A 91 91 VAL H H 91 7.310 7.518 -0.208 1 1 819 . 13 1 1 A 91 91 VAL HA H 91 4.570 4.819 -0.249 1 1 827 . 13 1 1 A 91 91 VAL C C 91 171.000 173.294 -2.294 1 1 828 . 13 1 1 A 91 91 VAL CA C 91 59.700 59.938 -0.238 1 1 829 . 13 1 1 A 91 91 VAL CB C 91 35.600 35.480 0.120 1 1 832 . 13 1 1 A 91 91 VAL N N 91 115.900 117.744 -1.844 1 1 833 . 13 1 1 A 92 92 LEU H H 92 8.700 9.380 -0.680 1 1 834 . 13 1 1 A 92 92 LEU HA H 92 4.950 5.218 -0.268 1 1 844 . 13 1 1 A 92 92 LEU C C 92 174.300 174.742 -0.442 1 1 845 . 13 1 1 A 92 92 LEU CA C 92 52.700 53.471 -0.771 1 1 846 . 13 1 1 A 92 92 LEU CB C 92 44.100 44.375 -0.275 1 1 850 . 13 1 1 A 92 92 LEU N N 92 128.500 129.859 -1.359 1 1 851 . 13 1 1 A 93 93 LEU H H 93 8.770 9.076 -0.306 1 1 852 . 13 1 1 A 93 93 LEU HA H 93 4.910 4.782 0.128 1 1 862 . 13 1 1 A 93 93 LEU C C 93 174.900 175.740 -0.840 1 1 863 . 13 1 1 A 93 93 LEU CA C 93 52.600 53.661 -1.061 1 1 864 . 13 1 1 A 93 93 LEU CB C 93 44.300 41.417 2.883 1 1 868 . 13 1 1 A 93 93 LEU N N 93 127.300 129.326 -2.026 1 1 869 . 13 1 1 A 94 94 VAL H H 94 8.800 9.391 -0.591 1 1 870 . 13 1 1 A 94 94 VAL HA H 94 4.880 4.601 0.279 1 1 878 . 13 1 1 A 94 94 VAL C C 94 175.000 175.309 -0.309 1 1 879 . 13 1 1 A 94 94 VAL CA C 94 60.000 61.413 -1.413 1 1 880 . 13 1 1 A 94 94 VAL CB C 94 33.900 32.924 0.976 1 1 883 . 13 1 1 A 94 94 VAL N N 94 122.000 126.006 -4.006 1 1 884 . 13 1 1 A 95 95 GLY H H 95 9.730 9.326 0.404 1 1 885 . 13 1 1 A 95 95 GLY HA2 H 95 3.240 4.001 -0.761 1 1 886 . 13 1 1 A 95 95 GLY HA3 H 95 4.940 4.008 0.932 1 1 887 . 13 1 1 A 95 95 GLY C C 95 175.000 174.997 0.003 1 1 888 . 13 1 1 A 95 95 GLY CA C 95 45.500 46.448 -0.948 1 1 889 . 13 1 1 A 95 95 GLY N N 95 114.000 116.336 -2.336 1 1 890 . 13 1 1 A 96 96 THR H H 96 9.320 9.057 0.263 1 1 891 . 13 1 1 A 96 96 THR HA H 96 4.210 4.060 0.150 1 1 896 . 13 1 1 A 96 96 THR C C 96 173.000 174.924 -1.924 1 1 897 . 13 1 1 A 96 96 THR CA C 96 61.800 64.555 -2.755 1 1 898 . 13 1 1 A 96 96 THR CB C 96 67.600 69.559 -1.959 1 1 900 . 13 1 1 A 96 96 THR N N 96 113.800 119.549 -5.749 1 1 901 . 13 1 1 A 97 97 GLY H H 97 8.600 8.255 0.345 1 1 902 . 13 1 1 A 97 97 GLY HA2 H 97 3.580 4.008 -0.428 1 1 903 . 13 1 1 A 97 97 GLY HA3 H 97 4.500 4.020 0.480 1 1 904 . 13 1 1 A 97 97 GLY C C 97 174.800 173.775 1.025 1 1 905 . 13 1 1 A 97 97 GLY CA C 97 44.000 46.343 -2.343 1 1 906 . 13 1 1 A 97 97 GLY N N 97 110.900 109.763 1.137 1 1 907 . 13 1 1 A 98 98 ARG H H 98 9.400 8.028 1.372 1 1 908 . 13 1 1 A 98 98 ARG HA H 98 4.110 4.444 -0.334 1 1 911 . 13 1 1 A 98 98 ARG C C 98 175.700 175.615 0.085 1 1 912 . 13 1 1 A 98 98 ARG CA C 98 58.800 55.065 3.735 1 1 913 . 13 1 1 A 98 98 ARG CB C 98 30.700 29.482 1.218 1 1 914 . 13 1 1 A 98 98 ARG N N 98 125.500 122.346 3.154 1 1 915 . 13 1 1 A 99 99 ARG H H 99 8.180 8.198 -0.018 1 1 916 . 13 1 1 A 99 99 ARG HA H 99 4.640 4.049 0.591 1 1 919 . 13 1 1 A 99 99 ARG C C 99 175.000 175.542 -0.542 1 1 920 . 13 1 1 A 99 99 ARG CA C 99 53.100 58.229 -5.129 1 1 921 . 13 1 1 A 99 99 ARG CB C 99 33.200 28.942 4.258 1 1 922 . 13 1 1 A 99 99 ARG N N 99 114.300 125.204 -10.904 1 1 923 . 13 1 1 A 100 100 GLN H H 100 8.710 8.464 0.246 1 1 924 . 13 1 1 A 100 100 GLN HA H 100 3.620 4.853 -1.233 1 1 929 . 13 1 1 A 100 100 GLN C C 100 173.900 174.604 -0.704 1 1 930 . 13 1 1 A 100 100 GLN CA C 100 56.400 55.265 1.135 1 1 931 . 13 1 1 A 100 100 GLN CB C 100 29.600 29.807 -0.207 1 1 933 . 13 1 1 A 100 100 GLN N N 100 121.700 121.719 -0.019 1 1 934 . 13 1 1 A 101 101 HIS H H 101 7.900 8.972 -1.072 1 1 935 . 13 1 1 A 101 101 HIS HA H 101 4.530 5.023 -0.493 1 1 939 . 13 1 1 A 101 101 HIS C C 101 173.100 173.891 -0.791 1 1 940 . 13 1 1 A 101 101 HIS CA C 101 55.100 54.735 0.365 1 1 941 . 13 1 1 A 101 101 HIS CB C 101 32.100 33.118 -1.018 1 1 942 . 13 1 1 A 101 101 HIS N N 101 130.600 123.518 7.082 1 1 943 . 13 1 1 A 102 102 LEU H H 102 8.080 8.680 -0.600 1 1 944 . 13 1 1 A 102 102 LEU HA H 102 4.060 4.624 -0.564 1 1 948 . 13 1 1 A 102 102 LEU C C 102 177.200 176.128 1.072 1 1 949 . 13 1 1 A 102 102 LEU CA C 102 54.900 54.560 0.340 1 1 950 . 13 1 1 A 102 102 LEU CB C 102 41.600 42.801 -1.201 1 1 951 . 13 1 1 A 102 102 LEU N N 102 121.400 126.214 -4.814 1 1 952 . 13 1 1 A 103 103 LEU H H 103 8.260 8.807 -0.547 1 1 953 . 13 1 1 A 103 103 LEU HA H 103 4.490 4.449 0.041 1 1 963 . 13 1 1 A 103 103 LEU C C 103 177.100 177.170 -0.070 1 1 964 . 13 1 1 A 103 103 LEU CA C 103 53.400 54.535 -1.135 1 1 965 . 13 1 1 A 103 103 LEU CB C 103 42.600 42.248 0.352 1 1 969 . 13 1 1 A 103 103 LEU N N 103 123.000 128.622 -5.622 1 1 970 . 13 1 1 A 104 104 GLY H H 104 8.820 8.766 0.054 1 1 971 . 13 1 1 A 104 104 GLY HA2 H 104 3.930 4.235 -0.305 1 1 972 . 13 1 1 A 104 104 GLY HA3 H 104 4.440 4.236 0.204 1 1 973 . 13 1 1 A 104 104 GLY CA C 104 44.500 43.750 0.750 1 1 974 . 13 1 1 A 104 104 GLY N N 104 110.200 107.893 2.307 1 1 975 . 13 1 1 A 105 105 PRO HA H 105 4.230 4.240 -0.010 1 1 978 . 13 1 1 A 105 105 PRO C C 105 178.900 178.757 0.143 1 1 979 . 13 1 1 A 105 105 PRO CA C 105 65.200 65.172 0.028 1 1 980 . 13 1 1 A 105 105 PRO CB C 105 31.900 31.793 0.107 1 1 981 . 13 1 1 A 106 106 GLU H H 106 9.150 8.510 0.640 1 1 982 . 13 1 1 A 106 106 GLU HA H 106 4.080 4.092 -0.012 1 1 987 . 13 1 1 A 106 106 GLU C C 106 178.500 178.105 0.395 1 1 988 . 13 1 1 A 106 106 GLU CA C 106 58.600 59.079 -0.479 1 1 989 . 13 1 1 A 106 106 GLU CB C 106 28.500 28.829 -0.329 1 1 991 . 13 1 1 A 106 106 GLU N N 106 115.400 117.209 -1.809 1 1 992 . 13 1 1 A 107 107 GLN H H 107 7.680 7.965 -0.285 1 1 993 . 13 1 1 A 107 107 GLN HA H 107 4.160 4.355 -0.195 1 1 998 . 13 1 1 A 107 107 GLN C C 107 175.200 177.973 -2.773 1 1 999 . 13 1 1 A 107 107 GLN CA C 107 58.500 57.799 0.701 1 1 1000 . 13 1 1 A 107 107 GLN CB C 107 29.400 29.770 -0.370 1 1 1002 . 13 1 1 A 107 107 GLN N N 107 116.100 117.375 -1.275 1 1 1003 . 13 1 1 A 108 108 VAL H H 108 7.080 7.701 -0.621 1 1 1004 . 13 1 1 A 108 108 VAL HA H 108 4.270 3.874 0.396 1 1 1012 . 13 1 1 A 108 108 VAL C C 108 177.500 177.706 -0.206 1 1 1013 . 13 1 1 A 108 108 VAL CA C 108 62.000 64.956 -2.956 1 1 1014 . 13 1 1 A 108 108 VAL CB C 108 33.000 31.616 1.384 1 1 1017 . 13 1 1 A 108 108 VAL N N 108 104.800 115.465 -10.665 1 1 1018 . 13 1 1 A 109 109 ARG H H 109 8.220 7.923 0.297 1 1 1019 . 13 1 1 A 109 109 ARG HA H 109 4.060 4.126 -0.066 1 1 1024 . 13 1 1 A 109 109 ARG CA C 109 61.700 61.185 0.515 1 1 1025 . 13 1 1 A 109 109 ARG CB C 109 27.600 27.971 -0.371 1 1 1027 . 13 1 1 A 109 109 ARG N N 109 123.100 122.368 0.732 1 1 1028 . 13 1 1 A 110 110 PRO HA H 110 4.290 4.356 -0.066 1 1 1035 . 13 1 1 A 110 110 PRO C C 110 173.000 179.272 -6.272 1 1 1036 . 13 1 1 A 110 110 PRO CA C 110 65.800 65.614 0.186 1 1 1037 . 13 1 1 A 110 110 PRO CB C 110 31.400 30.814 0.586 1 1 1040 . 13 1 1 A 111 111 LEU H H 111 7.080 7.360 -0.280 1 1 1041 . 13 1 1 A 111 111 LEU HA H 111 4.050 4.026 0.024 1 1 1051 . 13 1 1 A 111 111 LEU C C 111 178.800 179.313 -0.513 1 1 1052 . 13 1 1 A 111 111 LEU CA C 111 57.400 57.531 -0.131 1 1 1053 . 13 1 1 A 111 111 LEU CB C 111 40.100 41.703 -1.603 1 1 1056 . 13 1 1 A 111 111 LEU N N 111 117.700 117.159 0.541 1 1 1057 . 13 1 1 A 112 112 LEU H H 112 7.950 8.159 -0.209 1 1 1058 . 13 1 1 A 112 112 LEU HA H 112 4.050 4.138 -0.088 1 1 1068 . 13 1 1 A 112 112 LEU C C 112 169.000 179.066 -10.066 1 1 1069 . 13 1 1 A 112 112 LEU CA C 112 58.000 57.468 0.532 1 1 1070 . 13 1 1 A 112 112 LEU CB C 112 41.100 40.691 0.409 1 1 1074 . 13 1 1 A 112 112 LEU N N 112 121.700 118.537 3.163 1 1 1075 . 13 1 1 A 113 113 ALA H H 113 8.230 7.903 0.327 1 1 1076 . 13 1 1 A 113 113 ALA HA H 113 4.110 4.150 -0.040 1 1 1080 . 13 1 1 A 113 113 ALA C C 113 178.700 178.272 0.428 1 1 1081 . 13 1 1 A 113 113 ALA CA C 113 54.400 54.012 0.388 1 1 1082 . 13 1 1 A 113 113 ALA CB C 113 18.100 18.277 -0.177 1 1 1083 . 13 1 1 A 113 113 ALA N N 113 120.900 122.233 -1.333 1 1 1084 . 13 1 1 A 114 114 MET H H 114 7.270 7.797 -0.527 1 1 1085 . 13 1 1 A 114 114 MET HA H 114 4.490 4.388 0.102 1 1 1093 . 13 1 1 A 114 114 MET C C 114 175.100 176.691 -1.591 1 1 1094 . 13 1 1 A 114 114 MET CA C 114 55.100 55.789 -0.689 1 1 1095 . 13 1 1 A 114 114 MET CB C 114 33.700 33.505 0.195 1 1 1098 . 13 1 1 A 114 114 MET N N 114 115.100 115.490 -0.390 1 1 1099 . 13 1 1 A 115 115 GLY H H 115 7.830 7.870 -0.040 1 1 1100 . 13 1 1 A 115 115 GLY HA2 H 115 3.660 3.935 -0.275 1 1 1101 . 13 1 1 A 115 115 GLY HA3 H 115 4.060 3.936 0.124 1 1 1102 . 13 1 1 A 115 115 GLY C C 115 173.700 174.542 -0.842 1 1 1103 . 13 1 1 A 115 115 GLY CA C 115 45.600 45.692 -0.092 1 1 1104 . 13 1 1 A 115 115 GLY N N 115 106.300 107.709 -1.409 1 1 1105 . 13 1 1 A 116 116 VAL H H 116 7.710 7.803 -0.093 1 1 1106 . 13 1 1 A 116 116 VAL HA H 116 3.820 4.142 -0.322 1 1 1114 . 13 1 1 A 116 116 VAL C C 116 174.800 175.761 -0.961 1 1 1115 . 13 1 1 A 116 116 VAL CA C 116 61.200 62.482 -1.282 1 1 1116 . 13 1 1 A 116 116 VAL CB C 116 32.800 32.067 0.733 1 1 1119 . 13 1 1 A 116 116 VAL N N 116 123.600 122.237 1.363 1 1 1120 . 13 1 1 A 117 117 GLY H H 117 7.730 9.193 -1.463 1 1 1121 . 13 1 1 A 117 117 GLY HA2 H 117 3.570 3.950 -0.380 1 1 1122 . 13 1 1 A 117 117 GLY HA3 H 117 4.040 3.953 0.087 1 1 1123 . 13 1 1 A 117 117 GLY C C 117 172.600 172.975 -0.375 1 1 1124 . 13 1 1 A 117 117 GLY CA C 117 45.500 46.200 -0.700 1 1 1125 . 13 1 1 A 117 117 GLY N N 117 111.400 115.098 -3.698 1 1 1126 . 13 1 1 A 118 118 VAL H H 118 7.740 8.227 -0.487 1 1 1127 . 13 1 1 A 118 118 VAL HA H 118 5.100 4.413 0.687 1 1 1135 . 13 1 1 A 118 118 VAL C C 118 175.500 175.375 0.125 1 1 1136 . 13 1 1 A 118 118 VAL CA C 118 61.000 62.930 -1.930 1 1 1137 . 13 1 1 A 118 118 VAL CB C 118 34.300 31.661 2.639 1 1 1140 . 13 1 1 A 118 118 VAL N N 118 120.900 127.210 -6.310 1 1 1141 . 13 1 1 A 119 119 GLU H H 119 8.490 9.215 -0.725 1 1 1142 . 13 1 1 A 119 119 GLU HA H 119 4.630 5.069 -0.439 1 1 1147 . 13 1 1 A 119 119 GLU C C 119 173.500 175.189 -1.689 1 1 1148 . 13 1 1 A 119 119 GLU CA C 119 54.600 54.607 -0.007 1 1 1149 . 13 1 1 A 119 119 GLU CB C 119 32.300 32.765 -0.465 1 1 1151 . 13 1 1 A 119 119 GLU N N 119 127.000 127.041 -0.041 1 1 1152 . 13 1 1 A 120 120 ALA H H 120 8.600 9.079 -0.479 1 1 1153 . 13 1 1 A 120 120 ALA HA H 120 5.530 5.438 0.092 1 1 1157 . 13 1 1 A 120 120 ALA C C 120 177.100 176.529 0.571 1 1 1158 . 13 1 1 A 120 120 ALA CA C 120 50.300 50.330 -0.030 1 1 1159 . 13 1 1 A 120 120 ALA CB C 120 20.800 20.727 0.073 1 1 1160 . 13 1 1 A 120 120 ALA N N 120 126.500 126.935 -0.435 1 1 1161 . 13 1 1 A 121 121 MET H H 121 9.430 8.729 0.701 1 1 1162 . 13 1 1 A 121 121 MET HA H 121 4.630 4.943 -0.313 1 1 1170 . 13 1 1 A 121 121 MET C C 121 173.300 175.156 -1.856 1 1 1171 . 13 1 1 A 121 121 MET CA C 121 54.600 54.197 0.403 1 1 1172 . 13 1 1 A 121 121 MET CB C 121 36.800 37.295 -0.495 1 1 1175 . 13 1 1 A 121 121 MET N N 121 120.400 121.028 -0.628 1 1 1176 . 13 1 1 A 122 122 ASP H H 122 8.460 8.761 -0.301 1 1 1177 . 13 1 1 A 122 122 ASP HA H 122 4.170 4.725 -0.555 1 1 1180 . 13 1 1 A 122 122 ASP C C 122 175.200 177.731 -2.531 1 1 1181 . 13 1 1 A 122 122 ASP CA C 122 55.000 54.825 0.175 1 1 1182 . 13 1 1 A 122 122 ASP CB C 122 41.000 41.711 -0.711 1 1 1183 . 13 1 1 A 122 122 ASP N N 122 116.700 120.516 -3.816 1 1 1184 . 13 1 1 A 123 123 THR H H 123 9.580 8.827 0.753 1 1 1185 . 13 1 1 A 123 123 THR HA H 123 3.670 3.899 -0.229 1 1 1191 . 13 1 1 A 123 123 THR C C 123 174.400 176.118 -1.718 1 1 1192 . 13 1 1 A 123 123 THR CA C 123 68.700 66.771 1.929 1 1 1193 . 13 1 1 A 123 123 THR CB C 123 68.800 68.877 -0.077 1 1 1195 . 13 1 1 A 123 123 THR N N 123 119.600 117.233 2.367 1 1 1196 . 13 1 1 A 124 124 GLN H H 124 8.580 8.161 0.419 1 1 1197 . 13 1 1 A 124 124 GLN HA H 124 3.240 3.452 -0.212 1 1 1202 . 13 1 1 A 124 124 GLN C C 124 177.700 177.623 0.077 1 1 1203 . 13 1 1 A 124 124 GLN CA C 124 60.100 58.330 1.770 1 1 1204 . 13 1 1 A 124 124 GLN CB C 124 27.400 28.717 -1.317 1 1 1206 . 13 1 1 A 124 124 GLN N N 124 121.500 120.993 0.507 1 1 1207 . 13 1 1 A 125 125 ALA H H 125 8.210 8.032 0.178 1 1 1208 . 13 1 1 A 125 125 ALA HA H 125 3.960 4.097 -0.137 1 1 1212 . 13 1 1 A 125 125 ALA C C 125 167.800 179.997 -12.197 1 1 1213 . 13 1 1 A 125 125 ALA CA C 125 54.800 55.054 -0.254 1 1 1214 . 13 1 1 A 125 125 ALA CB C 125 18.700 17.831 0.869 1 1 1215 . 13 1 1 A 125 125 ALA N N 125 122.600 121.345 1.255 1 1 1216 . 13 1 1 A 126 126 ALA H H 126 8.900 8.351 0.549 1 1 1217 . 13 1 1 A 126 126 ALA HA H 126 4.110 4.069 0.041 1 1 1221 . 13 1 1 A 126 126 ALA C C 126 178.500 179.476 -0.976 1 1 1222 . 13 1 1 A 126 126 ALA CA C 126 55.300 54.879 0.421 1 1 1223 . 13 1 1 A 126 126 ALA CB C 126 18.100 18.459 -0.359 1 1 1224 . 13 1 1 A 126 126 ALA N N 126 124.600 120.212 4.388 1 1 1225 . 13 1 1 A 127 127 ALA H H 127 8.440 8.337 0.103 1 1 1226 . 13 1 1 A 127 127 ALA HA H 127 3.850 4.023 -0.173 1 1 1230 . 13 1 1 A 127 127 ALA C C 127 178.400 179.511 -1.111 1 1 1231 . 13 1 1 A 127 127 ALA CA C 127 55.500 55.146 0.354 1 1 1232 . 13 1 1 A 127 127 ALA CB C 127 18.500 17.790 0.710 1 1 1233 . 13 1 1 A 127 127 ALA N N 127 120.200 119.455 0.745 1 1 1234 . 13 1 1 A 128 128 ARG H H 128 7.790 8.054 -0.264 1 1 1235 . 13 1 1 A 128 128 ARG HA H 128 4.020 4.002 0.018 1 1 1240 . 13 1 1 A 128 128 ARG C C 128 179.400 178.959 0.441 1 1 1241 . 13 1 1 A 128 128 ARG CA C 128 59.600 59.652 -0.052 1 1 1242 . 13 1 1 A 128 128 ARG CB C 128 30.800 29.529 1.271 1 1 1244 . 13 1 1 A 128 128 ARG N N 128 115.900 119.189 -3.289 1 1 1245 . 13 1 1 A 129 129 THR H H 129 8.440 8.123 0.317 1 1 1246 . 13 1 1 A 129 129 THR HA H 129 3.770 3.956 -0.186 1 1 1251 . 13 1 1 A 129 129 THR C C 129 175.300 176.009 -0.709 1 1 1252 . 13 1 1 A 129 129 THR CA C 129 67.300 66.403 0.897 1 1 1253 . 13 1 1 A 129 129 THR CB C 129 68.300 68.549 -0.249 1 1 1255 . 13 1 1 A 129 129 THR N N 129 116.400 115.139 1.261 1 1 1256 . 13 1 1 A 130 130 TYR H H 130 8.790 8.471 0.319 1 1 1257 . 13 1 1 A 130 130 TYR HA H 130 3.600 4.113 -0.513 1 1 1262 . 13 1 1 A 130 130 TYR C C 130 175.500 177.550 -2.050 1 1 1263 . 13 1 1 A 130 130 TYR CA C 130 62.600 62.160 0.440 1 1 1264 . 13 1 1 A 130 130 TYR CB C 130 37.500 38.593 -1.093 1 1 1265 . 13 1 1 A 130 130 TYR N N 130 123.500 122.757 0.743 1 1 1266 . 13 1 1 A 131 131 ASN H H 131 7.800 8.465 -0.665 1 1 1267 . 13 1 1 A 131 131 ASN HA H 131 4.220 4.213 0.007 1 1 1270 . 13 1 1 A 131 131 ASN C C 131 179.200 178.190 1.010 1 1 1271 . 13 1 1 A 131 131 ASN CA C 131 55.500 56.256 -0.756 1 1 1272 . 13 1 1 A 131 131 ASN CB C 131 37.100 37.938 -0.838 1 1 1273 . 13 1 1 A 131 131 ASN N N 131 117.700 117.927 -0.227 1 1 1274 . 13 1 1 A 132 132 ILE H H 132 7.520 7.619 -0.099 1 1 1275 . 13 1 1 A 132 132 ILE HA H 132 3.710 3.571 0.139 1 1 1285 . 13 1 1 A 132 132 ILE C C 132 178.100 178.274 -0.174 1 1 1286 . 13 1 1 A 132 132 ILE CA C 132 64.900 65.661 -0.761 1 1 1287 . 13 1 1 A 132 132 ILE CB C 132 38.500 38.221 0.279 1 1 1291 . 13 1 1 A 132 132 ILE N N 132 121.000 120.267 0.733 1 1 1292 . 13 1 1 A 133 133 LEU H H 133 8.420 8.502 -0.082 1 1 1293 . 13 1 1 A 133 133 LEU HA H 133 3.910 3.900 0.010 1 1 1303 . 13 1 1 A 133 133 LEU C C 133 179.600 179.367 0.233 1 1 1304 . 13 1 1 A 133 133 LEU CA C 133 57.900 57.893 0.007 1 1 1305 . 13 1 1 A 133 133 LEU CB C 133 41.700 40.852 0.848 1 1 1309 . 13 1 1 A 133 133 LEU N N 133 120.500 118.157 2.343 1 1 1310 . 13 1 1 A 134 134 MET H H 134 8.990 8.627 0.363 1 1 1311 . 13 1 1 A 134 134 MET HA H 134 3.870 4.060 -0.190 1 1 1319 . 13 1 1 A 134 134 MET C C 134 167.400 177.744 -10.344 1 1 1320 . 13 1 1 A 134 134 MET CA C 134 58.400 58.328 0.072 1 1 1321 . 13 1 1 A 134 134 MET CB C 134 30.700 31.782 -1.082 1 1 1324 . 13 1 1 A 134 134 MET N N 134 119.900 118.508 1.392 1 1 1325 . 13 1 1 A 135 135 ALA H H 135 7.490 7.890 -0.400 1 1 1326 . 13 1 1 A 135 135 ALA HA H 135 4.060 3.849 0.211 1 1 1330 . 13 1 1 A 135 135 ALA C C 135 179.100 179.299 -0.199 1 1 1331 . 13 1 1 A 135 135 ALA CA C 135 54.700 55.385 -0.685 1 1 1332 . 13 1 1 A 135 135 ALA CB C 135 18.000 18.124 -0.124 1 1 1333 . 13 1 1 A 135 135 ALA N N 135 124.600 121.448 3.152 1 1 1334 . 13 1 1 A 136 136 GLU H H 136 7.540 7.703 -0.163 1 1 1335 . 13 1 1 A 136 136 GLU HA H 136 4.230 4.265 -0.035 1 1 1340 . 13 1 1 A 136 136 GLU C C 136 176.900 177.229 -0.329 1 1 1341 . 13 1 1 A 136 136 GLU CA C 136 56.400 56.381 0.019 1 1 1342 . 13 1 1 A 136 136 GLU CB C 136 30.300 29.851 0.449 1 1 1344 . 13 1 1 A 136 136 GLU N N 136 116.500 115.567 0.933 1 1 1345 . 13 1 1 A 137 137 GLY H H 137 7.870 7.874 -0.004 1 1 1346 . 13 1 1 A 137 137 GLY HA2 H 137 3.760 3.905 -0.145 1 1 1347 . 13 1 1 A 137 137 GLY HA3 H 137 4.140 3.917 0.223 1 1 1348 . 13 1 1 A 137 137 GLY C C 137 175.100 174.478 0.622 1 1 1349 . 13 1 1 A 137 137 GLY CA C 137 45.600 46.298 -0.698 1 1 1350 . 13 1 1 A 137 137 GLY N N 137 107.100 109.638 -2.538 1 1 1351 . 13 1 1 A 138 138 ARG H H 138 7.580 7.605 -0.025 1 1 1352 . 13 1 1 A 138 138 ARG HA H 138 4.270 4.576 -0.306 1 1 1357 . 13 1 1 A 138 138 ARG C C 138 176.900 175.808 1.092 1 1 1358 . 13 1 1 A 138 138 ARG CA C 138 54.500 54.629 -0.129 1 1 1359 . 13 1 1 A 138 138 ARG CB C 138 30.100 31.901 -1.801 1 1 1361 . 13 1 1 A 138 138 ARG N N 138 118.100 119.043 -0.943 1 1 1362 . 13 1 1 A 139 139 ARG H H 139 9.240 8.545 0.695 1 1 1363 . 13 1 1 A 139 139 ARG HA H 139 4.470 4.404 0.066 1 1 1370 . 13 1 1 A 139 139 ARG C C 139 174.400 175.042 -0.642 1 1 1371 . 13 1 1 A 139 139 ARG CA C 139 55.700 56.127 -0.427 1 1 1372 . 13 1 1 A 139 139 ARG CB C 139 28.000 29.047 -1.047 1 1 1375 . 13 1 1 A 139 139 ARG N N 139 124.400 121.758 2.642 1 1 1376 . 13 1 1 A 140 140 VAL H H 140 7.250 8.581 -1.331 1 1 1377 . 13 1 1 A 140 140 VAL HA H 140 5.180 5.053 0.127 1 1 1385 . 13 1 1 A 140 140 VAL C C 140 172.800 174.292 -1.492 1 1 1386 . 13 1 1 A 140 140 VAL CA C 140 57.700 60.337 -2.637 1 1 1387 . 13 1 1 A 140 140 VAL CB C 140 34.700 34.348 0.352 1 1 1390 . 13 1 1 A 140 140 VAL N N 140 121.900 124.792 -2.892 1 1 1391 . 13 1 1 A 141 141 VAL H H 141 8.180 8.811 -0.631 1 1 1392 . 13 1 1 A 141 141 VAL HA H 141 4.510 4.535 -0.025 1 1 1400 . 13 1 1 A 141 141 VAL C C 141 172.600 174.121 -1.521 1 1 1401 . 13 1 1 A 141 141 VAL CA C 141 60.300 61.067 -0.767 1 1 1402 . 13 1 1 A 141 141 VAL CB C 141 35.600 33.709 1.891 1 1 1405 . 13 1 1 A 141 141 VAL N N 141 123.900 129.260 -5.360 1 1 1406 . 13 1 1 A 142 142 VAL H H 142 8.430 8.617 -0.187 1 1 1407 . 13 1 1 A 142 142 VAL HA H 142 5.220 4.842 0.378 1 1 1415 . 13 1 1 A 142 142 VAL C C 142 170.000 172.831 -2.831 1 1 1416 . 13 1 1 A 142 142 VAL CA C 142 57.600 59.036 -1.436 1 1 1417 . 13 1 1 A 142 142 VAL CB C 142 35.500 33.711 1.789 1 1 1420 . 13 1 1 A 142 142 VAL N N 142 124.600 127.933 -3.333 1 1 1421 . 13 1 1 A 143 143 ALA H H 143 8.220 8.935 -0.715 1 1 1422 . 13 1 1 A 143 143 ALA HA H 143 4.680 4.957 -0.277 1 1 1426 . 13 1 1 A 143 143 ALA C C 143 175.400 175.242 0.158 1 1 1427 . 13 1 1 A 143 143 ALA CA C 143 49.900 49.975 -0.075 1 1 1428 . 13 1 1 A 143 143 ALA CB C 143 19.600 20.117 -0.517 1 1 1429 . 13 1 1 A 143 143 ALA N N 143 129.100 130.214 -1.114 1 1 1430 . 13 1 1 A 144 144 LEU H H 144 9.070 9.304 -0.234 1 1 1431 . 13 1 1 A 144 144 LEU HA H 144 4.840 4.959 -0.119 1 1 1441 . 13 1 1 A 144 144 LEU CA C 144 53.400 53.637 -0.237 1 1 1442 . 13 1 1 A 144 144 LEU CB C 144 46.500 42.910 3.590 1 1 1445 . 13 1 1 A 144 144 LEU N N 144 119.600 123.854 -4.254 1 1 1446 . 13 1 1 A 145 145 LEU HA H 145 4.830 4.928 -0.098 1 1 1456 . 13 1 1 A 145 145 LEU CA C 145 51.800 51.209 0.591 1 1 1457 . 13 1 1 A 145 145 LEU CB C 145 41.700 42.896 -1.196 1 1 1461 . 13 1 1 A 146 146 PRO HA H 146 4.330 4.713 -0.383 1 1 1466 . 13 1 1 A 146 146 PRO C C 146 175.700 176.380 -0.680 1 1 1467 . 13 1 1 A 146 146 PRO CA C 146 62.800 62.569 0.231 1 1 1468 . 13 1 1 A 146 146 PRO CB C 146 31.500 32.492 -0.992 1 1 1470 . 13 1 1 A 147 147 ASP H H 147 8.660 8.532 0.128 1 1 1471 . 13 1 1 A 147 147 ASP HA H 147 4.510 4.603 -0.093 1 1 1474 . 13 1 1 A 147 147 ASP C C 147 176.300 176.757 -0.457 1 1 1475 . 13 1 1 A 147 147 ASP CA C 147 54.300 54.686 -0.386 1 1 1476 . 13 1 1 A 147 147 ASP CB C 147 42.100 41.833 0.267 1 1 1477 . 13 1 1 A 147 147 ASP N N 147 120.700 122.498 -1.798 1 1 1478 . 13 1 1 A 148 148 GLY H H 148 8.310 8.585 -0.275 1 1 1479 . 13 1 1 A 148 148 GLY HA2 H 148 4.020 4.212 -0.192 1 1 1480 . 13 1 1 A 148 148 GLY HA3 H 148 4.050 4.219 -0.169 1 1 1481 . 13 1 1 A 148 148 GLY C C 148 173.600 173.230 0.370 1 1 1482 . 13 1 1 A 148 148 GLY CA C 148 45.200 45.446 -0.246 1 1 1483 . 13 1 1 A 148 148 GLY N N 148 109.400 111.714 -2.314 1 1 1484 . 13 1 1 A 149 149 ASP H H 149 8.550 8.066 0.484 1 1 1485 . 13 1 1 A 149 149 ASP HA H 149 4.650 4.886 -0.236 1 1 1488 . 13 1 1 A 149 149 ASP C C 149 176.700 175.649 1.051 1 1 1489 . 13 1 1 A 149 149 ASP CA C 149 54.500 52.758 1.742 1 1 1490 . 13 1 1 A 149 149 ASP CB C 149 41.600 43.064 -1.464 1 1 1491 . 13 1 1 A 149 149 ASP N N 149 120.800 121.562 -0.762 1 1 1492 . 13 1 1 A 150 150 SER H H 150 8.600 8.878 -0.278 1 1 1493 . 13 1 1 A 150 150 SER HA H 150 4.350 4.591 -0.241 1 1 1496 . 13 1 1 A 150 150 SER C C 150 175.000 174.375 0.625 1 1 1497 . 13 1 1 A 150 150 SER CA C 150 58.900 59.551 -0.651 1 1 1498 . 13 1 1 A 150 150 SER CB C 150 63.500 64.582 -1.082 1 1 1499 . 13 1 1 A 150 150 SER N N 150 116.400 116.737 -0.337 1 1 1500 . 13 1 1 A 151 151 LEU H H 151 8.290 7.949 0.341 1 1 1501 . 13 1 1 A 151 151 LEU CA C 151 55.500 53.612 1.888 1 1 1502 . 13 1 1 A 151 151 LEU CB C 151 41.900 44.801 -2.901 1 1 5 . 14 1 1 A 4 4 HIS C C 4 174.800 174.367 0.433 1 1 6 . 14 1 1 A 4 4 HIS CA C 4 55.900 54.283 1.617 1 1 7 . 14 1 1 A 4 4 HIS CB C 4 30.000 31.023 -1.023 1 1 8 . 14 1 1 A 5 5 THR H H 5 7.990 8.868 -0.878 1 1 9 . 14 1 1 A 5 5 THR C C 5 173.800 172.597 1.203 1 1 10 . 14 1 1 A 5 5 THR CA C 5 61.500 61.110 0.390 1 1 11 . 14 1 1 A 5 5 THR CB C 5 69.900 66.347 3.553 1 1 12 . 14 1 1 A 5 5 THR N N 5 115.300 120.952 -5.652 1 1 13 . 14 1 1 A 6 6 ASP H H 6 8.370 7.807 0.563 1 1 14 . 14 1 1 A 6 6 ASP HA H 6 4.860 4.894 -0.034 1 1 17 . 14 1 1 A 6 6 ASP CA C 6 52.500 51.420 1.080 1 1 18 . 14 1 1 A 6 6 ASP CB C 6 41.100 43.801 -2.701 1 1 19 . 14 1 1 A 6 6 ASP N N 6 124.400 124.583 -0.183 1 1 20 . 14 1 1 A 7 7 PRO HA H 7 4.350 4.481 -0.131 1 1 26 . 14 1 1 A 7 7 PRO C C 7 176.900 176.320 0.580 1 1 27 . 14 1 1 A 7 7 PRO CA C 7 63.500 64.289 -0.789 1 1 28 . 14 1 1 A 7 7 PRO CB C 7 32.100 32.264 -0.164 1 1 31 . 14 1 1 A 8 8 ALA H H 8 8.420 6.843 1.577 1 1 32 . 14 1 1 A 8 8 ALA HA H 8 4.260 4.615 -0.355 1 1 36 . 14 1 1 A 8 8 ALA C C 8 178.100 175.982 2.118 1 1 37 . 14 1 1 A 8 8 ALA CA C 8 52.900 51.530 1.370 1 1 38 . 14 1 1 A 8 8 ALA CB C 8 19.200 22.205 -3.005 1 1 39 . 14 1 1 A 8 8 ALA N N 8 122.700 116.676 6.024 1 1 40 . 14 1 1 A 9 9 THR H H 9 7.880 8.670 -0.790 1 1 41 . 14 1 1 A 9 9 THR HA H 9 4.230 4.354 -0.124 1 1 46 . 14 1 1 A 9 9 THR C C 9 173.800 174.978 -1.178 1 1 47 . 14 1 1 A 9 9 THR CA C 9 61.700 61.646 0.054 1 1 48 . 14 1 1 A 9 9 THR CB C 9 69.700 67.958 1.742 1 1 50 . 14 1 1 A 9 9 THR N N 9 112.900 115.128 -2.228 1 1 51 . 14 1 1 A 10 10 ALA H H 10 8.160 8.854 -0.694 1 1 52 . 14 1 1 A 10 10 ALA HA H 10 4.340 3.919 0.421 1 1 56 . 14 1 1 A 10 10 ALA C C 10 177.000 176.968 0.032 1 1 57 . 14 1 1 A 10 10 ALA CA C 10 52.300 54.725 -2.425 1 1 58 . 14 1 1 A 10 10 ALA CB C 10 19.400 18.252 1.148 1 1 59 . 14 1 1 A 10 10 ALA N N 10 127.000 122.249 4.751 1 1 60 . 14 1 1 A 11 11 LEU H H 11 8.040 8.667 -0.627 1 1 61 . 14 1 1 A 11 11 LEU HA H 11 4.640 3.813 0.827 1 1 70 . 14 1 1 A 11 11 LEU C C 11 178.300 175.557 2.743 1 1 71 . 14 1 1 A 11 11 LEU CA C 11 54.000 56.002 -2.002 1 1 72 . 14 1 1 A 11 11 LEU CB C 11 42.900 40.191 2.709 1 1 75 . 14 1 1 A 11 11 LEU N N 11 121.500 114.885 6.615 1 1 76 . 14 1 1 A 12 12 ASN H H 12 9.700 8.104 1.596 1 1 77 . 14 1 1 A 12 12 ASN HA H 12 4.760 4.816 -0.056 1 1 80 . 14 1 1 A 12 12 ASN C C 12 174.700 174.739 -0.039 1 1 81 . 14 1 1 A 12 12 ASN CA C 12 54.100 53.325 0.775 1 1 82 . 14 1 1 A 12 12 ASN CB C 12 38.100 39.064 -0.964 1 1 83 . 14 1 1 A 12 12 ASN N N 12 121.500 117.196 4.304 1 1 84 . 14 1 1 A 13 13 THR H H 13 8.710 8.805 -0.095 1 1 85 . 14 1 1 A 13 13 THR HA H 13 4.760 4.895 -0.135 1 1 90 . 14 1 1 A 13 13 THR C C 13 173.600 173.864 -0.264 1 1 91 . 14 1 1 A 13 13 THR CA C 13 61.900 61.788 0.112 1 1 92 . 14 1 1 A 13 13 THR CB C 13 71.500 71.110 0.390 1 1 94 . 14 1 1 A 13 13 THR N N 13 121.800 122.082 -0.282 1 1 95 . 14 1 1 A 14 14 VAL H H 14 9.500 9.084 0.416 1 1 96 . 14 1 1 A 14 14 VAL HA H 14 4.660 3.912 0.748 1 1 104 . 14 1 1 A 14 14 VAL C C 14 177.000 177.164 -0.164 1 1 105 . 14 1 1 A 14 14 VAL CA C 14 63.800 63.512 0.288 1 1 106 . 14 1 1 A 14 14 VAL CB C 14 30.600 31.746 -1.146 1 1 109 . 14 1 1 A 14 14 VAL N N 14 126.700 126.719 -0.019 1 1 110 . 14 1 1 A 15 15 THR H H 15 8.900 9.036 -0.136 1 1 111 . 14 1 1 A 15 15 THR HA H 15 4.300 4.435 -0.135 1 1 116 . 14 1 1 A 15 15 THR C C 15 174.900 175.103 -0.203 1 1 117 . 14 1 1 A 15 15 THR CA C 15 62.800 62.374 0.426 1 1 118 . 14 1 1 A 15 15 THR CB C 15 68.700 69.483 -0.783 1 1 120 . 14 1 1 A 15 15 THR N N 15 122.000 118.897 3.103 1 1 121 . 14 1 1 A 16 16 ALA H H 16 7.960 7.452 0.508 1 1 122 . 14 1 1 A 16 16 ALA HA H 16 4.360 4.572 -0.212 1 1 126 . 14 1 1 A 16 16 ALA C C 16 174.400 176.081 -1.681 1 1 127 . 14 1 1 A 16 16 ALA CA C 16 52.600 50.762 1.838 1 1 128 . 14 1 1 A 16 16 ALA CB C 16 21.900 22.471 -0.571 1 1 129 . 14 1 1 A 16 16 ALA N N 16 120.900 121.274 -0.374 1 1 130 . 14 1 1 A 17 17 TYR H H 17 7.790 8.764 -0.974 1 1 131 . 14 1 1 A 17 17 TYR HA H 17 4.390 4.439 -0.049 1 1 136 . 14 1 1 A 17 17 TYR C C 17 173.000 176.398 -3.398 1 1 137 . 14 1 1 A 17 17 TYR CA C 17 56.400 59.868 -3.468 1 1 138 . 14 1 1 A 17 17 TYR CB C 17 39.700 39.534 0.166 1 1 141 . 14 1 1 A 17 17 TYR N N 17 114.800 119.716 -4.916 1 1 142 . 14 1 1 A 18 18 GLY H H 18 7.030 7.962 -0.932 1 1 143 . 14 1 1 A 18 18 GLY HA2 H 18 3.210 3.759 -0.549 1 1 144 . 14 1 1 A 18 18 GLY HA3 H 18 3.900 3.930 -0.030 1 1 145 . 14 1 1 A 18 18 GLY C C 18 172.200 172.352 -0.152 1 1 146 . 14 1 1 A 18 18 GLY CA C 18 44.900 46.915 -2.015 1 1 147 . 14 1 1 A 18 18 GLY N N 18 108.600 106.837 1.763 1 1 148 . 14 1 1 A 19 19 ASP H H 19 8.410 7.971 0.439 1 1 149 . 14 1 1 A 19 19 ASP HA H 19 4.320 4.941 -0.621 1 1 152 . 14 1 1 A 19 19 ASP C C 19 176.500 175.585 0.915 1 1 153 . 14 1 1 A 19 19 ASP CA C 19 55.600 53.635 1.965 1 1 154 . 14 1 1 A 19 19 ASP CB C 19 39.500 43.495 -3.995 1 1 155 . 14 1 1 A 19 19 ASP N N 19 120.400 123.955 -3.555 1 1 156 . 14 1 1 A 20 20 GLY H H 20 8.670 8.700 -0.030 1 1 157 . 14 1 1 A 20 20 GLY HA2 H 20 3.670 3.996 -0.326 1 1 158 . 14 1 1 A 20 20 GLY HA3 H 20 4.210 4.035 0.175 1 1 159 . 14 1 1 A 20 20 GLY C C 20 173.900 173.576 0.324 1 1 160 . 14 1 1 A 20 20 GLY CA C 20 45.800 45.515 0.285 1 1 161 . 14 1 1 A 20 20 GLY N N 20 113.500 113.328 0.172 1 1 162 . 14 1 1 A 21 21 TYR H H 21 7.530 7.501 0.029 1 1 163 . 14 1 1 A 21 21 TYR HA H 21 5.480 5.135 0.345 1 1 168 . 14 1 1 A 21 21 TYR C C 21 172.800 174.027 -1.227 1 1 169 . 14 1 1 A 21 21 TYR CA C 21 56.700 55.602 1.098 1 1 170 . 14 1 1 A 21 21 TYR CB C 21 41.400 41.824 -0.424 1 1 173 . 14 1 1 A 21 21 TYR N N 21 114.300 117.738 -3.438 1 1 174 . 14 1 1 A 22 22 ILE H H 22 8.780 9.066 -0.286 1 1 175 . 14 1 1 A 22 22 ILE HA H 22 4.350 4.803 -0.453 1 1 185 . 14 1 1 A 22 22 ILE C C 22 173.800 174.452 -0.652 1 1 186 . 14 1 1 A 22 22 ILE CA C 22 60.200 60.686 -0.486 1 1 187 . 14 1 1 A 22 22 ILE CB C 22 41.700 40.783 0.917 1 1 191 . 14 1 1 A 22 22 ILE N N 22 119.300 120.120 -0.820 1 1 192 . 14 1 1 A 23 23 GLU H H 23 9.010 9.175 -0.165 1 1 193 . 14 1 1 A 23 23 GLU HA H 23 5.680 5.176 0.504 1 1 198 . 14 1 1 A 23 23 GLU C C 23 175.000 175.389 -0.389 1 1 199 . 14 1 1 A 23 23 GLU CA C 23 54.300 55.469 -1.169 1 1 200 . 14 1 1 A 23 23 GLU CB C 23 33.500 31.467 2.033 1 1 202 . 14 1 1 A 23 23 GLU N N 23 127.800 128.638 -0.838 1 1 203 . 14 1 1 A 24 24 VAL H H 24 8.980 8.951 0.029 1 1 204 . 14 1 1 A 24 24 VAL HA H 24 4.840 4.414 0.426 1 1 212 . 14 1 1 A 24 24 VAL C C 24 177.300 175.993 1.307 1 1 213 . 14 1 1 A 24 24 VAL CA C 24 60.600 60.968 -0.368 1 1 214 . 14 1 1 A 24 24 VAL CB C 24 33.600 33.681 -0.081 1 1 217 . 14 1 1 A 24 24 VAL N N 24 125.400 127.704 -2.304 1 1 218 . 14 1 1 A 25 25 ASN H H 25 9.340 8.398 0.942 1 1 219 . 14 1 1 A 25 25 ASN HA H 25 4.340 4.286 0.054 1 1 222 . 14 1 1 A 25 25 ASN C C 25 173.800 174.985 -1.185 1 1 223 . 14 1 1 A 25 25 ASN CA C 25 54.600 55.508 -0.908 1 1 224 . 14 1 1 A 25 25 ASN CB C 25 36.600 37.151 -0.551 1 1 225 . 14 1 1 A 25 25 ASN N N 25 127.800 121.937 5.863 1 1 226 . 14 1 1 A 26 26 GLN H H 26 7.920 8.290 -0.370 1 1 227 . 14 1 1 A 26 26 GLN HA H 26 3.670 4.478 -0.808 1 1 232 . 14 1 1 A 26 26 GLN C C 26 174.400 174.298 0.102 1 1 233 . 14 1 1 A 26 26 GLN CA C 26 58.100 55.404 2.696 1 1 234 . 14 1 1 A 26 26 GLN CB C 26 26.500 30.789 -4.289 1 1 236 . 14 1 1 A 26 26 GLN N N 26 104.100 118.155 -14.055 1 1 237 . 14 1 1 A 27 27 VAL H H 27 7.850 7.386 0.464 1 1 238 . 14 1 1 A 27 27 VAL HA H 27 3.900 4.130 -0.230 1 1 246 . 14 1 1 A 27 27 VAL C C 27 174.200 174.366 -0.166 1 1 247 . 14 1 1 A 27 27 VAL CA C 27 62.100 61.459 0.641 1 1 248 . 14 1 1 A 27 27 VAL CB C 27 32.500 32.943 -0.443 1 1 251 . 14 1 1 A 27 27 VAL N N 27 123.100 119.996 3.104 1 1 252 . 14 1 1 A 28 28 ARG H H 28 8.430 8.214 0.216 1 1 253 . 14 1 1 A 28 28 ARG HA H 28 4.320 4.544 -0.224 1 1 256 . 14 1 1 A 28 28 ARG C C 28 175.200 175.399 -0.199 1 1 257 . 14 1 1 A 28 28 ARG CA C 28 57.100 55.475 1.625 1 1 258 . 14 1 1 A 28 28 ARG CB C 28 31.300 30.197 1.103 1 1 259 . 14 1 1 A 28 28 ARG N N 28 126.200 126.000 0.200 1 1 260 . 14 1 1 A 29 29 PHE H H 29 9.290 9.517 -0.227 1 1 261 . 14 1 1 A 29 29 PHE HA H 29 4.580 4.696 -0.116 1 1 266 . 14 1 1 A 29 29 PHE C C 29 175.800 175.521 0.279 1 1 267 . 14 1 1 A 29 29 PHE CA C 29 57.700 57.192 0.508 1 1 268 . 14 1 1 A 29 29 PHE CB C 29 42.000 39.913 2.087 1 1 271 . 14 1 1 A 29 29 PHE N N 29 123.900 124.233 -0.333 1 1 272 . 14 1 1 A 30 30 SER H H 30 8.950 8.754 0.196 1 1 273 . 14 1 1 A 30 30 SER HA H 30 5.130 4.826 0.304 1 1 276 . 14 1 1 A 30 30 SER C C 30 172.900 173.628 -0.728 1 1 277 . 14 1 1 A 30 30 SER CA C 30 57.000 58.220 -1.220 1 1 278 . 14 1 1 A 30 30 SER CB C 30 63.200 63.513 -0.313 1 1 279 . 14 1 1 A 30 30 SER N N 30 119.400 120.537 -1.137 1 1 280 . 14 1 1 A 31 31 HIS H H 31 7.170 7.312 -0.142 1 1 281 . 14 1 1 A 31 31 HIS HA H 31 4.840 5.278 -0.438 1 1 284 . 14 1 1 A 31 31 HIS C C 31 171.900 172.848 -0.948 1 1 285 . 14 1 1 A 31 31 HIS CA C 31 53.200 53.629 -0.429 1 1 286 . 14 1 1 A 31 31 HIS CB C 31 31.100 32.609 -1.509 1 1 287 . 14 1 1 A 31 31 HIS N N 31 114.600 116.955 -2.355 1 1 288 . 14 1 1 A 32 32 ALA H H 32 8.930 8.514 0.416 1 1 289 . 14 1 1 A 32 32 ALA HA H 32 5.050 4.526 0.524 1 1 293 . 14 1 1 A 32 32 ALA C C 32 179.000 177.792 1.208 1 1 294 . 14 1 1 A 32 32 ALA CA C 32 53.700 52.765 0.935 1 1 295 . 14 1 1 A 32 32 ALA CB C 32 20.700 19.437 1.263 1 1 296 . 14 1 1 A 32 32 ALA N N 32 120.200 122.607 -2.407 1 1 297 . 14 1 1 A 33 33 ILE H H 33 8.280 8.606 -0.326 1 1 298 . 14 1 1 A 33 33 ILE HA H 33 5.520 5.141 0.379 1 1 308 . 14 1 1 A 33 33 ILE C C 33 173.400 174.364 -0.964 1 1 309 . 14 1 1 A 33 33 ILE CA C 33 59.500 59.182 0.318 1 1 310 . 14 1 1 A 33 33 ILE CB C 33 44.500 41.575 2.925 1 1 313 . 14 1 1 A 33 33 ILE N N 33 115.800 117.958 -2.158 1 1 314 . 14 1 1 A 34 34 ALA H H 34 8.900 9.108 -0.208 1 1 315 . 14 1 1 A 34 34 ALA HA H 34 5.290 5.297 -0.007 1 1 319 . 14 1 1 A 34 34 ALA C C 34 176.100 175.813 0.287 1 1 320 . 14 1 1 A 34 34 ALA CA C 34 51.100 50.201 0.899 1 1 321 . 14 1 1 A 34 34 ALA CB C 34 21.900 20.182 1.718 1 1 322 . 14 1 1 A 34 34 ALA N N 34 121.600 126.167 -4.567 1 1 323 . 14 1 1 A 35 35 PHE H H 35 8.580 8.210 0.370 1 1 324 . 14 1 1 A 35 35 PHE HA H 35 4.740 5.874 -1.134 1 1 330 . 14 1 1 A 35 35 PHE C C 35 170.000 173.072 -3.072 1 1 331 . 14 1 1 A 35 35 PHE CA C 35 57.100 54.779 2.321 1 1 332 . 14 1 1 A 35 35 PHE CB C 35 39.700 42.685 -2.985 1 1 336 . 14 1 1 A 35 35 PHE N N 35 116.600 119.414 -2.814 1 1 337 . 14 1 1 A 36 36 ALA H H 36 8.730 8.610 0.120 1 1 338 . 14 1 1 A 36 36 ALA HA H 36 5.170 5.001 0.169 1 1 342 . 14 1 1 A 36 36 ALA CA C 36 49.100 49.330 -0.230 1 1 343 . 14 1 1 A 36 36 ALA CB C 36 20.500 20.393 0.107 1 1 344 . 14 1 1 A 36 36 ALA N N 36 123.400 124.002 -0.602 1 1 345 . 14 1 1 A 37 37 PRO HA H 37 4.740 4.558 0.182 1 1 350 . 14 1 1 A 37 37 PRO C C 37 176.500 177.736 -1.236 1 1 351 . 14 1 1 A 37 37 PRO CA C 37 66.200 64.597 1.603 1 1 352 . 14 1 1 A 37 37 PRO CB C 37 33.600 31.898 1.702 1 1 354 . 14 1 1 A 38 38 GLU H H 38 7.450 8.259 -0.809 1 1 355 . 14 1 1 A 38 38 GLU HA H 38 4.790 4.518 0.272 1 1 360 . 14 1 1 A 38 38 GLU C C 38 177.300 176.778 0.522 1 1 361 . 14 1 1 A 38 38 GLU CA C 38 54.200 56.122 -1.922 1 1 362 . 14 1 1 A 38 38 GLU CB C 38 32.600 29.814 2.786 1 1 364 . 14 1 1 A 38 38 GLU N N 38 110.100 115.553 -5.453 1 1 365 . 14 1 1 A 39 39 GLY H H 39 8.600 7.833 0.767 1 1 366 . 14 1 1 A 39 39 GLY HA2 H 39 3.920 4.040 -0.120 1 1 367 . 14 1 1 A 39 39 GLY HA3 H 39 4.440 4.047 0.393 1 1 368 . 14 1 1 A 39 39 GLY CA C 39 44.400 45.515 -1.115 1 1 369 . 14 1 1 A 39 39 GLY N N 39 109.500 107.196 2.304 1 1 370 . 14 1 1 A 40 40 PRO HA H 40 4.550 4.589 -0.039 1 1 375 . 14 1 1 A 40 40 PRO C C 40 177.100 175.857 1.243 1 1 376 . 14 1 1 A 40 40 PRO CA C 40 62.500 63.345 -0.845 1 1 377 . 14 1 1 A 40 40 PRO CB C 40 32.700 32.100 0.600 1 1 378 . 14 1 1 A 41 41 VAL H H 41 8.530 8.517 0.013 1 1 379 . 14 1 1 A 41 41 VAL HA H 41 3.900 4.495 -0.595 1 1 387 . 14 1 1 A 41 41 VAL C C 41 175.200 175.257 -0.057 1 1 388 . 14 1 1 A 41 41 VAL CA C 41 63.000 61.022 1.978 1 1 389 . 14 1 1 A 41 41 VAL CB C 41 31.100 33.094 -1.994 1 1 392 . 14 1 1 A 41 41 VAL N N 41 123.000 124.211 -1.211 1 1 393 . 14 1 1 A 42 42 ALA H H 42 8.320 9.484 -1.164 1 1 394 . 14 1 1 A 42 42 ALA HA H 42 4.750 5.119 -0.369 1 1 398 . 14 1 1 A 42 42 ALA C C 42 177.400 177.190 0.210 1 1 399 . 14 1 1 A 42 42 ALA CA C 42 50.800 50.609 0.191 1 1 400 . 14 1 1 A 42 42 ALA CB C 42 21.400 20.709 0.691 1 1 401 . 14 1 1 A 42 42 ALA N N 42 131.300 131.477 -0.177 1 1 402 . 14 1 1 A 43 43 SER H H 43 8.660 8.665 -0.005 1 1 403 . 14 1 1 A 43 43 SER HA H 43 4.690 4.967 -0.277 1 1 406 . 14 1 1 A 43 43 SER CA C 43 59.000 58.968 0.032 1 1 407 . 14 1 1 A 43 43 SER CB C 43 62.800 64.191 -1.391 1 1 408 . 14 1 1 A 43 43 SER N N 43 115.400 118.822 -3.422 1 1 409 . 14 1 1 A 44 44 TRP HA H 44 5.470 4.985 0.485 1 1 418 . 14 1 1 A 44 44 TRP CA C 44 52.200 54.884 -2.684 1 1 419 . 14 1 1 A 44 44 TRP CB C 44 31.000 32.184 -1.184 1 1 426 . 14 1 1 A 45 45 PRO HA H 45 4.550 4.550 0.000 1 1 431 . 14 1 1 A 45 45 PRO C C 45 173.000 176.221 -3.221 1 1 432 . 14 1 1 A 45 45 PRO CA C 45 63.300 63.752 -0.452 1 1 433 . 14 1 1 A 45 45 PRO CB C 45 27.800 32.053 -4.253 1 1 435 . 14 1 1 A 46 46 VAL H H 46 8.390 7.853 0.537 1 1 436 . 14 1 1 A 46 46 VAL HA H 46 3.770 4.219 -0.449 1 1 444 . 14 1 1 A 46 46 VAL C C 46 174.100 175.569 -1.469 1 1 445 . 14 1 1 A 46 46 VAL CA C 46 61.100 61.594 -0.494 1 1 446 . 14 1 1 A 46 46 VAL CB C 46 35.200 32.366 2.834 1 1 449 . 14 1 1 A 46 46 VAL N N 46 124.300 120.910 3.390 1 1 450 . 14 1 1 A 47 47 GLN H H 47 8.970 8.977 -0.007 1 1 451 . 14 1 1 A 47 47 GLN HA H 47 4.430 4.759 -0.329 1 1 456 . 14 1 1 A 47 47 GLN C C 47 175.100 174.916 0.184 1 1 457 . 14 1 1 A 47 47 GLN CA C 47 56.400 55.627 0.773 1 1 458 . 14 1 1 A 47 47 GLN CB C 47 30.900 29.738 1.162 1 1 459 . 14 1 1 A 47 47 GLN N N 47 122.000 126.002 -4.002 1 1 460 . 14 1 1 A 48 48 ARG H H 48 7.720 7.514 0.206 1 1 461 . 14 1 1 A 48 48 ARG HA H 48 4.750 4.883 -0.133 1 1 468 . 14 1 1 A 48 48 ARG CA C 48 52.800 54.084 -1.284 1 1 469 . 14 1 1 A 48 48 ARG CB C 48 30.500 32.330 -1.830 1 1 471 . 14 1 1 A 48 48 ARG N N 48 116.600 116.458 0.142 1 1 472 . 14 1 1 A 49 49 PRO HA H 49 3.750 4.499 -0.749 1 1 477 . 14 1 1 A 49 49 PRO C C 49 177.500 176.943 0.557 1 1 478 . 14 1 1 A 49 49 PRO CA C 49 65.400 63.897 1.503 1 1 479 . 14 1 1 A 49 49 PRO CB C 49 30.700 31.735 -1.035 1 1 481 . 14 1 1 A 50 50 ALA H H 50 7.960 8.246 -0.286 1 1 482 . 14 1 1 A 50 50 ALA HA H 50 4.010 4.200 -0.190 1 1 486 . 14 1 1 A 50 50 ALA C C 50 177.300 178.869 -1.569 1 1 487 . 14 1 1 A 50 50 ALA CA C 50 53.800 54.114 -0.314 1 1 488 . 14 1 1 A 50 50 ALA CB C 50 18.500 19.037 -0.537 1 1 489 . 14 1 1 A 50 50 ALA N N 50 117.200 122.595 -5.395 1 1 490 . 14 1 1 A 51 51 ASP H H 51 7.570 7.372 0.198 1 1 491 . 14 1 1 A 51 51 ASP HA H 51 4.410 4.592 -0.182 1 1 494 . 14 1 1 A 51 51 ASP C C 51 176.000 177.075 -1.075 1 1 495 . 14 1 1 A 51 51 ASP CA C 51 54.200 55.845 -1.645 1 1 496 . 14 1 1 A 51 51 ASP CB C 51 41.900 41.233 0.667 1 1 497 . 14 1 1 A 51 51 ASP N N 51 114.800 115.792 -0.992 1 1 498 . 14 1 1 A 52 52 ILE H H 52 7.290 7.360 -0.070 1 1 499 . 14 1 1 A 52 52 ILE HA H 52 3.100 3.914 -0.814 1 1 509 . 14 1 1 A 52 52 ILE C C 52 174.800 175.555 -0.755 1 1 510 . 14 1 1 A 52 52 ILE CA C 52 65.100 62.447 2.653 1 1 511 . 14 1 1 A 52 52 ILE CB C 52 37.100 37.724 -0.624 1 1 515 . 14 1 1 A 52 52 ILE N N 52 117.700 121.810 -4.110 1 1 516 . 14 1 1 A 53 53 THR H H 53 6.560 8.048 -1.488 1 1 517 . 14 1 1 A 53 53 THR HA H 53 4.720 5.015 -0.295 1 1 522 . 14 1 1 A 53 53 THR C C 53 174.600 175.262 -0.662 1 1 523 . 14 1 1 A 53 53 THR CA C 53 58.500 59.324 -0.824 1 1 524 . 14 1 1 A 53 53 THR CB C 53 72.900 72.372 0.528 1 1 526 . 14 1 1 A 53 53 THR N N 53 117.300 117.619 -0.319 1 1 527 . 14 1 1 A 54 54 ALA H H 54 9.340 9.100 0.240 1 1 528 . 14 1 1 A 54 54 ALA HA H 54 4.460 4.049 0.411 1 1 532 . 14 1 1 A 54 54 ALA C C 54 167.400 180.011 -12.611 1 1 533 . 14 1 1 A 54 54 ALA CA C 54 55.800 55.393 0.407 1 1 534 . 14 1 1 A 54 54 ALA CB C 54 18.200 18.378 -0.178 1 1 535 . 14 1 1 A 54 54 ALA N N 54 123.800 125.421 -1.621 1 1 536 . 14 1 1 A 55 55 SER H H 55 8.530 8.234 0.296 1 1 537 . 14 1 1 A 55 55 SER HA H 55 4.280 4.161 0.119 1 1 541 . 14 1 1 A 55 55 SER C C 55 177.700 177.416 0.284 1 1 542 . 14 1 1 A 55 55 SER CA C 55 61.600 61.583 0.017 1 1 543 . 14 1 1 A 55 55 SER CB C 55 62.600 62.385 0.215 1 1 544 . 14 1 1 A 55 55 SER N N 55 112.600 112.957 -0.357 1 1 545 . 14 1 1 A 56 56 LEU H H 56 7.810 8.298 -0.488 1 1 546 . 14 1 1 A 56 56 LEU HA H 56 4.280 3.927 0.353 1 1 556 . 14 1 1 A 56 56 LEU C C 56 168.100 179.398 -11.298 1 1 557 . 14 1 1 A 56 56 LEU CA C 56 57.900 57.970 -0.070 1 1 558 . 14 1 1 A 56 56 LEU CB C 56 42.100 41.029 1.071 1 1 562 . 14 1 1 A 56 56 LEU N N 56 122.500 121.983 0.517 1 1 563 . 14 1 1 A 57 57 LEU H H 57 8.490 8.245 0.245 1 1 564 . 14 1 1 A 57 57 LEU HA H 57 4.180 4.144 0.036 1 1 574 . 14 1 1 A 57 57 LEU C C 57 178.000 179.610 -1.610 1 1 575 . 14 1 1 A 57 57 LEU CA C 57 58.300 58.059 0.241 1 1 576 . 14 1 1 A 57 57 LEU CB C 57 41.200 41.228 -0.028 1 1 580 . 14 1 1 A 57 57 LEU N N 57 123.900 119.687 4.213 1 1 581 . 14 1 1 A 58 58 GLN H H 58 8.500 8.052 0.448 1 1 582 . 14 1 1 A 58 58 GLN HA H 58 3.680 4.119 -0.439 1 1 589 . 14 1 1 A 58 58 GLN C C 58 178.200 179.120 -0.920 1 1 590 . 14 1 1 A 58 58 GLN CA C 58 60.200 59.252 0.948 1 1 591 . 14 1 1 A 58 58 GLN CB C 58 28.500 28.118 0.382 1 1 593 . 14 1 1 A 58 58 GLN N N 58 118.800 118.597 0.203 1 1 595 . 14 1 1 A 59 59 GLN H H 59 8.300 7.782 0.518 1 1 596 . 14 1 1 A 59 59 GLN HA H 59 4.090 4.090 0.000 1 1 601 . 14 1 1 A 59 59 GLN C C 59 179.900 178.004 1.896 1 1 602 . 14 1 1 A 59 59 GLN CA C 59 58.900 59.013 -0.113 1 1 603 . 14 1 1 A 59 59 GLN CB C 59 28.800 28.848 -0.048 1 1 605 . 14 1 1 A 59 59 GLN N N 59 118.600 120.053 -1.453 1 1 606 . 14 1 1 A 60 60 ALA H H 60 7.850 8.176 -0.326 1 1 607 . 14 1 1 A 60 60 ALA HA H 60 3.580 4.247 -0.667 1 1 611 . 14 1 1 A 60 60 ALA C C 60 176.700 179.801 -3.101 1 1 612 . 14 1 1 A 60 60 ALA CA C 60 54.700 54.179 0.521 1 1 613 . 14 1 1 A 60 60 ALA CB C 60 17.400 18.488 -1.088 1 1 614 . 14 1 1 A 60 60 ALA N N 60 122.500 122.376 0.124 1 1 615 . 14 1 1 A 61 61 ALA H H 61 7.540 7.658 -0.118 1 1 616 . 14 1 1 A 61 61 ALA HA H 61 3.970 4.333 -0.363 1 1 620 . 14 1 1 A 61 61 ALA C C 61 176.300 177.969 -1.669 1 1 621 . 14 1 1 A 61 61 ALA CA C 61 52.400 52.093 0.307 1 1 622 . 14 1 1 A 61 61 ALA CB C 61 19.100 19.434 -0.334 1 1 623 . 14 1 1 A 61 61 ALA N N 61 113.700 118.038 -4.338 1 1 624 . 14 1 1 A 62 62 GLY H H 62 7.600 7.909 -0.309 1 1 625 . 14 1 1 A 62 62 GLY HA2 H 62 3.890 3.976 -0.086 1 1 626 . 14 1 1 A 62 62 GLY HA3 H 62 3.980 3.985 -0.005 1 1 627 . 14 1 1 A 62 62 GLY C C 62 175.400 175.328 0.072 1 1 628 . 14 1 1 A 62 62 GLY CA C 62 45.800 46.531 -0.731 1 1 629 . 14 1 1 A 62 62 GLY N N 62 104.800 106.709 -1.909 1 1 630 . 14 1 1 A 63 63 LEU H H 63 7.770 7.812 -0.042 1 1 631 . 14 1 1 A 63 63 LEU HA H 63 4.430 4.326 0.104 1 1 640 . 14 1 1 A 63 63 LEU C C 63 176.400 176.895 -0.495 1 1 641 . 14 1 1 A 63 63 LEU CA C 63 54.000 55.387 -1.387 1 1 642 . 14 1 1 A 63 63 LEU CB C 63 42.500 41.621 0.879 1 1 645 . 14 1 1 A 63 63 LEU N N 63 119.100 117.596 1.504 1 1 646 . 14 1 1 A 64 64 ALA H H 64 8.060 7.576 0.484 1 1 647 . 14 1 1 A 64 64 ALA HA H 64 4.160 4.442 -0.282 1 1 651 . 14 1 1 A 64 64 ALA C C 64 177.300 177.004 0.296 1 1 652 . 14 1 1 A 64 64 ALA CA C 64 52.700 51.239 1.461 1 1 653 . 14 1 1 A 64 64 ALA CB C 64 19.700 20.390 -0.690 1 1 654 . 14 1 1 A 64 64 ALA N N 64 122.900 122.724 0.176 1 1 655 . 14 1 1 A 65 65 GLU H H 65 8.260 8.607 -0.347 1 1 656 . 14 1 1 A 65 65 GLU C C 65 176.300 175.637 0.663 1 1 657 . 14 1 1 A 65 65 GLU CA C 65 56.400 56.343 0.057 1 1 658 . 14 1 1 A 65 65 GLU CB C 65 30.100 30.383 -0.283 1 1 659 . 14 1 1 A 65 65 GLU N N 65 118.900 117.659 1.241 1 1 660 . 14 1 1 A 66 66 VAL H H 66 7.960 8.827 -0.867 1 1 661 . 14 1 1 A 66 66 VAL HA H 66 4.020 4.519 -0.499 1 1 663 . 14 1 1 A 66 66 VAL C C 66 175.900 174.740 1.160 1 1 664 . 14 1 1 A 66 66 VAL CA C 66 62.300 61.438 0.862 1 1 665 . 14 1 1 A 66 66 VAL CB C 66 32.800 33.869 -1.069 1 1 666 . 14 1 1 A 66 66 VAL N N 66 121.500 124.392 -2.892 1 1 667 . 14 1 1 A 67 67 VAL H H 67 8.210 9.002 -0.792 1 1 668 . 14 1 1 A 67 67 VAL C C 67 175.800 175.675 0.125 1 1 669 . 14 1 1 A 67 67 VAL CA C 67 62.200 61.820 0.380 1 1 670 . 14 1 1 A 67 67 VAL CB C 67 32.600 31.835 0.765 1 1 671 . 14 1 1 A 67 67 VAL N N 67 124.900 128.307 -3.407 1 1 672 . 14 1 1 A 68 68 ARG H H 68 8.380 8.608 -0.228 1 1 673 . 14 1 1 A 68 68 ARG HA H 68 4.270 4.516 -0.246 1 1 674 . 14 1 1 A 68 68 ARG C C 68 175.400 175.819 -0.419 1 1 675 . 14 1 1 A 68 68 ARG CA C 68 55.700 56.169 -0.469 1 1 676 . 14 1 1 A 68 68 ARG CB C 68 31.100 30.941 0.159 1 1 677 . 14 1 1 A 68 68 ARG N N 68 125.900 127.263 -1.363 1 1 678 . 14 1 1 A 69 69 ASP H H 69 8.390 8.574 -0.184 1 1 679 . 14 1 1 A 69 69 ASP HA H 69 4.800 4.977 -0.177 1 1 682 . 14 1 1 A 69 69 ASP CA C 69 51.700 52.324 -0.624 1 1 683 . 14 1 1 A 69 69 ASP CB C 69 41.700 40.687 1.013 1 1 684 . 14 1 1 A 69 69 ASP N N 69 123.600 122.209 1.391 1 1 685 . 14 1 1 A 70 70 PRO HA H 70 4.290 4.983 -0.693 1 1 688 . 14 1 1 A 70 70 PRO C C 70 177.500 177.087 0.413 1 1 689 . 14 1 1 A 70 70 PRO CA C 70 64.100 62.083 2.017 1 1 690 . 14 1 1 A 70 70 PRO CB C 70 32.300 32.084 0.216 1 1 691 . 14 1 1 A 71 71 LEU H H 71 8.280 8.712 -0.432 1 1 692 . 14 1 1 A 71 71 LEU HA H 71 4.260 4.534 -0.274 1 1 698 . 14 1 1 A 71 71 LEU C C 71 177.600 176.987 0.613 1 1 699 . 14 1 1 A 71 71 LEU CA C 71 55.100 55.142 -0.042 1 1 700 . 14 1 1 A 71 71 LEU CB C 71 41.200 42.164 -0.964 1 1 702 . 14 1 1 A 71 71 LEU N N 71 118.400 122.201 -3.801 1 1 703 . 14 1 1 A 72 72 ALA H H 72 7.660 8.022 -0.362 1 1 704 . 14 1 1 A 72 72 ALA HA H 72 4.170 4.387 -0.217 1 1 708 . 14 1 1 A 72 72 ALA C C 72 177.400 176.032 1.368 1 1 709 . 14 1 1 A 72 72 ALA CA C 72 52.600 51.516 1.084 1 1 710 . 14 1 1 A 72 72 ALA CB C 72 19.200 20.323 -1.123 1 1 711 . 14 1 1 A 72 72 ALA N N 72 122.900 120.085 2.815 1 1 712 . 14 1 1 A 73 73 PHE H H 73 7.940 7.773 0.167 1 1 713 . 14 1 1 A 73 73 PHE HA H 73 4.510 5.085 -0.575 1 1 717 . 14 1 1 A 73 73 PHE C C 73 175.600 175.481 0.119 1 1 718 . 14 1 1 A 73 73 PHE CA C 73 57.800 56.398 1.402 1 1 719 . 14 1 1 A 73 73 PHE CB C 73 39.100 41.397 -2.297 1 1 720 . 14 1 1 A 73 73 PHE N N 73 118.200 116.619 1.581 1 1 721 . 14 1 1 A 74 74 LEU H H 74 7.890 8.780 -0.890 1 1 722 . 14 1 1 A 74 74 LEU CA C 74 55.200 56.377 -1.177 1 1 723 . 14 1 1 A 74 74 LEU CB C 74 42.400 42.543 -0.143 1 1 724 . 14 1 1 A 74 74 LEU N N 74 122.600 126.118 -3.518 1 1 725 . 14 1 1 A 78 78 GLU C C 78 176.600 177.460 -0.860 1 1 726 . 14 1 1 A 78 78 GLU CA C 78 57.500 59.560 -2.060 1 1 727 . 14 1 1 A 78 78 GLU CB C 78 30.100 29.836 0.264 1 1 728 . 14 1 1 A 79 79 ALA H H 79 8.460 7.878 0.582 1 1 729 . 14 1 1 A 79 79 ALA C C 79 178.300 178.168 0.132 1 1 730 . 14 1 1 A 79 79 ALA CA C 79 52.900 52.999 -0.099 1 1 731 . 14 1 1 A 79 79 ALA CB C 79 19.200 18.598 0.602 1 1 732 . 14 1 1 A 79 79 ALA N N 79 124.700 120.442 4.258 1 1 733 . 14 1 1 A 80 80 GLY H H 80 8.330 8.864 -0.534 1 1 734 . 14 1 1 A 80 80 GLY C C 80 174.100 175.364 -1.264 1 1 735 . 14 1 1 A 80 80 GLY CA C 80 45.100 45.562 -0.462 1 1 736 . 14 1 1 A 80 80 GLY N N 80 108.200 112.387 -4.187 1 1 737 . 14 1 1 A 81 81 ALA H H 81 8.140 7.800 0.340 1 1 738 . 14 1 1 A 81 81 ALA HA H 81 4.170 4.105 0.065 1 1 739 . 14 1 1 A 81 81 ALA C C 81 178.400 179.397 -0.997 1 1 740 . 14 1 1 A 81 81 ALA CA C 81 52.800 54.883 -2.083 1 1 741 . 14 1 1 A 81 81 ALA CB C 81 19.200 18.564 0.636 1 1 742 . 14 1 1 A 81 81 ALA N N 81 123.600 123.778 -0.178 1 1 743 . 14 1 1 A 82 82 GLY H H 82 8.400 8.110 0.290 1 1 744 . 14 1 1 A 82 82 GLY HA2 H 82 3.860 3.827 0.033 1 1 745 . 14 1 1 A 82 82 GLY HA3 H 82 2.880 3.830 -0.950 1 1 746 . 14 1 1 A 82 82 GLY C C 82 173.600 174.956 -1.356 1 1 747 . 14 1 1 A 82 82 GLY CA C 82 45.200 47.065 -1.865 1 1 748 . 14 1 1 A 82 82 GLY N N 82 108.000 105.798 2.202 1 1 749 . 14 1 1 A 83 83 ALA H H 83 7.980 8.029 -0.049 1 1 750 . 14 1 1 A 83 83 ALA HA H 83 4.280 3.954 0.326 1 1 754 . 14 1 1 A 83 83 ALA C C 83 177.200 176.393 0.807 1 1 755 . 14 1 1 A 83 83 ALA CA C 83 52.100 54.942 -2.842 1 1 756 . 14 1 1 A 83 83 ALA CB C 83 19.500 17.030 2.470 1 1 757 . 14 1 1 A 83 83 ALA N N 83 123.300 119.658 3.642 1 1 758 . 14 1 1 A 84 84 ARG H H 84 8.240 8.392 -0.152 1 1 759 . 14 1 1 A 84 84 ARG HA H 84 4.610 4.726 -0.116 1 1 762 . 14 1 1 A 84 84 ARG CA C 84 54.000 52.172 1.828 1 1 763 . 14 1 1 A 84 84 ARG CB C 84 30.500 31.197 -0.697 1 1 764 . 14 1 1 A 84 84 ARG N N 84 121.700 118.771 2.929 1 1 765 . 14 1 1 A 85 85 PRO HA H 85 4.390 4.553 -0.163 1 1 770 . 14 1 1 A 85 85 PRO C C 85 177.000 175.567 1.433 1 1 771 . 14 1 1 A 85 85 PRO CA C 85 62.900 62.839 0.061 1 1 772 . 14 1 1 A 85 85 PRO CB C 85 32.200 29.708 2.492 1 1 773 . 14 1 1 A 86 86 ALA H H 86 8.600 8.151 0.449 1 1 774 . 14 1 1 A 86 86 ALA HA H 86 4.150 4.370 -0.220 1 1 778 . 14 1 1 A 86 86 ALA C C 86 177.800 178.027 -0.227 1 1 779 . 14 1 1 A 86 86 ALA CA C 86 53.400 53.147 0.253 1 1 780 . 14 1 1 A 86 86 ALA CB C 86 18.900 19.693 -0.793 1 1 781 . 14 1 1 A 86 86 ALA N N 86 124.900 122.167 2.733 1 1 782 . 14 1 1 A 87 87 ASN H H 87 8.380 8.246 0.134 1 1 783 . 14 1 1 A 87 87 ASN HA H 87 4.590 4.372 0.218 1 1 786 . 14 1 1 A 87 87 ASN C C 87 174.400 173.842 0.558 1 1 787 . 14 1 1 A 87 87 ASN CA C 87 52.600 53.957 -1.357 1 1 788 . 14 1 1 A 87 87 ASN CB C 87 38.300 36.988 1.312 1 1 789 . 14 1 1 A 87 87 ASN N N 87 114.900 116.412 -1.512 1 1 790 . 14 1 1 A 88 88 ALA H H 88 7.800 7.663 0.137 1 1 791 . 14 1 1 A 88 88 ALA HA H 88 4.400 4.780 -0.380 1 1 795 . 14 1 1 A 88 88 ALA CA C 88 50.400 49.355 1.045 1 1 796 . 14 1 1 A 88 88 ALA CB C 88 17.900 22.142 -4.242 1 1 797 . 14 1 1 A 88 88 ALA N N 88 123.600 118.904 4.696 1 1 798 . 14 1 1 A 89 89 PRO HA H 89 4.390 4.575 -0.185 1 1 805 . 14 1 1 A 89 89 PRO C C 89 175.000 177.269 -2.269 1 1 806 . 14 1 1 A 89 89 PRO CA C 89 62.400 62.781 -0.381 1 1 807 . 14 1 1 A 89 89 PRO CB C 89 31.700 32.836 -1.136 1 1 810 . 14 1 1 A 90 90 GLU H H 90 9.000 8.445 0.555 1 1 811 . 14 1 1 A 90 90 GLU HA H 90 4.310 4.295 0.015 1 1 814 . 14 1 1 A 90 90 GLU C C 90 177.300 175.772 1.528 1 1 815 . 14 1 1 A 90 90 GLU CA C 90 58.000 58.893 -0.893 1 1 816 . 14 1 1 A 90 90 GLU CB C 90 31.400 30.743 0.657 1 1 817 . 14 1 1 A 90 90 GLU N N 90 117.700 120.559 -2.859 1 1 818 . 14 1 1 A 91 91 VAL H H 91 7.310 7.695 -0.385 1 1 819 . 14 1 1 A 91 91 VAL HA H 91 4.570 4.915 -0.345 1 1 827 . 14 1 1 A 91 91 VAL C C 91 171.000 173.257 -2.257 1 1 828 . 14 1 1 A 91 91 VAL CA C 91 59.700 59.853 -0.153 1 1 829 . 14 1 1 A 91 91 VAL CB C 91 35.600 35.689 -0.089 1 1 832 . 14 1 1 A 91 91 VAL N N 91 115.900 117.595 -1.695 1 1 833 . 14 1 1 A 92 92 LEU H H 92 8.700 9.295 -0.595 1 1 834 . 14 1 1 A 92 92 LEU HA H 92 4.950 5.326 -0.376 1 1 844 . 14 1 1 A 92 92 LEU C C 92 174.300 174.613 -0.313 1 1 845 . 14 1 1 A 92 92 LEU CA C 92 52.700 53.313 -0.613 1 1 846 . 14 1 1 A 92 92 LEU CB C 92 44.100 45.380 -1.280 1 1 850 . 14 1 1 A 92 92 LEU N N 92 128.500 129.678 -1.178 1 1 851 . 14 1 1 A 93 93 LEU H H 93 8.770 9.500 -0.730 1 1 852 . 14 1 1 A 93 93 LEU HA H 93 4.910 5.307 -0.397 1 1 862 . 14 1 1 A 93 93 LEU C C 93 174.900 175.634 -0.734 1 1 863 . 14 1 1 A 93 93 LEU CA C 93 52.600 53.147 -0.547 1 1 864 . 14 1 1 A 93 93 LEU CB C 93 44.300 42.523 1.777 1 1 868 . 14 1 1 A 93 93 LEU N N 93 127.300 128.412 -1.112 1 1 869 . 14 1 1 A 94 94 VAL H H 94 8.800 9.319 -0.519 1 1 870 . 14 1 1 A 94 94 VAL HA H 94 4.880 4.690 0.190 1 1 878 . 14 1 1 A 94 94 VAL C C 94 175.000 175.210 -0.210 1 1 879 . 14 1 1 A 94 94 VAL CA C 94 60.000 60.786 -0.786 1 1 880 . 14 1 1 A 94 94 VAL CB C 94 33.900 33.417 0.483 1 1 883 . 14 1 1 A 94 94 VAL N N 94 122.000 126.149 -4.149 1 1 884 . 14 1 1 A 95 95 GLY H H 95 9.730 9.622 0.108 1 1 885 . 14 1 1 A 95 95 GLY HA2 H 95 3.240 4.028 -0.788 1 1 886 . 14 1 1 A 95 95 GLY HA3 H 95 4.940 4.045 0.895 1 1 887 . 14 1 1 A 95 95 GLY C C 95 175.000 175.045 -0.045 1 1 888 . 14 1 1 A 95 95 GLY CA C 95 45.500 45.513 -0.013 1 1 889 . 14 1 1 A 95 95 GLY N N 95 114.000 115.855 -1.855 1 1 890 . 14 1 1 A 96 96 THR H H 96 9.320 8.941 0.379 1 1 891 . 14 1 1 A 96 96 THR HA H 96 4.210 4.516 -0.306 1 1 896 . 14 1 1 A 96 96 THR C C 96 173.000 175.649 -2.649 1 1 897 . 14 1 1 A 96 96 THR CA C 96 61.800 62.422 -0.622 1 1 898 . 14 1 1 A 96 96 THR CB C 96 67.600 68.888 -1.288 1 1 900 . 14 1 1 A 96 96 THR N N 96 113.800 116.156 -2.356 1 1 901 . 14 1 1 A 97 97 GLY H H 97 8.600 7.587 1.013 1 1 902 . 14 1 1 A 97 97 GLY HA2 H 97 3.580 3.888 -0.308 1 1 903 . 14 1 1 A 97 97 GLY HA3 H 97 4.500 3.890 0.610 1 1 904 . 14 1 1 A 97 97 GLY C C 97 174.800 175.090 -0.290 1 1 905 . 14 1 1 A 97 97 GLY CA C 97 44.000 47.239 -3.239 1 1 906 . 14 1 1 A 97 97 GLY N N 97 110.900 111.738 -0.838 1 1 907 . 14 1 1 A 98 98 ARG H H 98 9.400 8.534 0.866 1 1 908 . 14 1 1 A 98 98 ARG HA H 98 4.110 4.226 -0.116 1 1 911 . 14 1 1 A 98 98 ARG C C 98 175.700 176.013 -0.313 1 1 912 . 14 1 1 A 98 98 ARG CA C 98 58.800 57.872 0.928 1 1 913 . 14 1 1 A 98 98 ARG CB C 98 30.700 30.804 -0.104 1 1 914 . 14 1 1 A 98 98 ARG N N 98 125.500 126.048 -0.548 1 1 915 . 14 1 1 A 99 99 ARG H H 99 8.180 7.679 0.501 1 1 916 . 14 1 1 A 99 99 ARG HA H 99 4.640 4.844 -0.204 1 1 919 . 14 1 1 A 99 99 ARG C C 99 175.000 174.916 0.084 1 1 920 . 14 1 1 A 99 99 ARG CA C 99 53.100 54.076 -0.976 1 1 921 . 14 1 1 A 99 99 ARG CB C 99 33.200 34.105 -0.905 1 1 922 . 14 1 1 A 99 99 ARG N N 99 114.300 117.135 -2.835 1 1 923 . 14 1 1 A 100 100 GLN H H 100 8.710 8.350 0.360 1 1 924 . 14 1 1 A 100 100 GLN HA H 100 3.620 4.511 -0.891 1 1 929 . 14 1 1 A 100 100 GLN C C 100 173.900 174.215 -0.315 1 1 930 . 14 1 1 A 100 100 GLN CA C 100 56.400 54.653 1.747 1 1 931 . 14 1 1 A 100 100 GLN CB C 100 29.600 27.907 1.693 1 1 933 . 14 1 1 A 100 100 GLN N N 100 121.700 119.968 1.732 1 1 934 . 14 1 1 A 101 101 HIS H H 101 7.900 9.308 -1.408 1 1 935 . 14 1 1 A 101 101 HIS HA H 101 4.530 4.950 -0.420 1 1 939 . 14 1 1 A 101 101 HIS C C 101 173.100 173.948 -0.848 1 1 940 . 14 1 1 A 101 101 HIS CA C 101 55.100 54.550 0.550 1 1 941 . 14 1 1 A 101 101 HIS CB C 101 32.100 30.790 1.310 1 1 942 . 14 1 1 A 101 101 HIS N N 101 130.600 125.461 5.139 1 1 943 . 14 1 1 A 102 102 LEU H H 102 8.080 8.441 -0.361 1 1 944 . 14 1 1 A 102 102 LEU HA H 102 4.060 4.205 -0.145 1 1 948 . 14 1 1 A 102 102 LEU C C 102 177.200 176.887 0.313 1 1 949 . 14 1 1 A 102 102 LEU CA C 102 54.900 55.711 -0.811 1 1 950 . 14 1 1 A 102 102 LEU CB C 102 41.600 43.167 -1.567 1 1 951 . 14 1 1 A 102 102 LEU N N 102 121.400 129.308 -7.908 1 1 952 . 14 1 1 A 103 103 LEU H H 103 8.260 8.428 -0.168 1 1 953 . 14 1 1 A 103 103 LEU HA H 103 4.490 4.626 -0.136 1 1 963 . 14 1 1 A 103 103 LEU C C 103 177.100 176.542 0.558 1 1 964 . 14 1 1 A 103 103 LEU CA C 103 53.400 53.838 -0.438 1 1 965 . 14 1 1 A 103 103 LEU CB C 103 42.600 42.649 -0.049 1 1 969 . 14 1 1 A 103 103 LEU N N 103 123.000 125.799 -2.799 1 1 970 . 14 1 1 A 104 104 GLY H H 104 8.820 8.844 -0.024 1 1 971 . 14 1 1 A 104 104 GLY HA2 H 104 3.930 4.258 -0.328 1 1 972 . 14 1 1 A 104 104 GLY HA3 H 104 4.440 4.276 0.164 1 1 973 . 14 1 1 A 104 104 GLY CA C 104 44.500 43.828 0.672 1 1 974 . 14 1 1 A 104 104 GLY N N 104 110.200 108.092 2.108 1 1 975 . 14 1 1 A 105 105 PRO HA H 105 4.230 4.218 0.012 1 1 978 . 14 1 1 A 105 105 PRO C C 105 178.900 178.826 0.074 1 1 979 . 14 1 1 A 105 105 PRO CA C 105 65.200 65.308 -0.108 1 1 980 . 14 1 1 A 105 105 PRO CB C 105 31.900 31.705 0.195 1 1 981 . 14 1 1 A 106 106 GLU H H 106 9.150 8.464 0.686 1 1 982 . 14 1 1 A 106 106 GLU HA H 106 4.080 4.051 0.029 1 1 987 . 14 1 1 A 106 106 GLU C C 106 178.500 179.384 -0.884 1 1 988 . 14 1 1 A 106 106 GLU CA C 106 58.600 59.619 -1.019 1 1 989 . 14 1 1 A 106 106 GLU CB C 106 28.500 29.036 -0.536 1 1 991 . 14 1 1 A 106 106 GLU N N 106 115.400 117.753 -2.353 1 1 992 . 14 1 1 A 107 107 GLN H H 107 7.680 7.678 0.002 1 1 993 . 14 1 1 A 107 107 GLN HA H 107 4.160 4.073 0.087 1 1 998 . 14 1 1 A 107 107 GLN C C 107 175.200 178.126 -2.926 1 1 999 . 14 1 1 A 107 107 GLN CA C 107 58.500 58.567 -0.067 1 1 1000 . 14 1 1 A 107 107 GLN CB C 107 29.400 28.719 0.681 1 1 1002 . 14 1 1 A 107 107 GLN N N 107 116.100 120.149 -4.049 1 1 1003 . 14 1 1 A 108 108 VAL H H 108 7.080 7.496 -0.416 1 1 1004 . 14 1 1 A 108 108 VAL HA H 108 4.270 4.031 0.239 1 1 1012 . 14 1 1 A 108 108 VAL C C 108 177.500 177.720 -0.220 1 1 1013 . 14 1 1 A 108 108 VAL CA C 108 62.000 63.515 -1.515 1 1 1014 . 14 1 1 A 108 108 VAL CB C 108 33.000 31.858 1.142 1 1 1017 . 14 1 1 A 108 108 VAL N N 108 104.800 115.383 -10.583 1 1 1018 . 14 1 1 A 109 109 ARG H H 109 8.220 7.825 0.395 1 1 1019 . 14 1 1 A 109 109 ARG HA H 109 4.060 4.141 -0.081 1 1 1024 . 14 1 1 A 109 109 ARG CA C 109 61.700 61.321 0.379 1 1 1025 . 14 1 1 A 109 109 ARG CB C 109 27.600 27.966 -0.366 1 1 1027 . 14 1 1 A 109 109 ARG N N 109 123.100 122.601 0.499 1 1 1028 . 14 1 1 A 110 110 PRO HA H 110 4.290 4.348 -0.058 1 1 1035 . 14 1 1 A 110 110 PRO C C 110 173.000 179.380 -6.380 1 1 1036 . 14 1 1 A 110 110 PRO CA C 110 65.800 65.970 -0.170 1 1 1037 . 14 1 1 A 110 110 PRO CB C 110 31.400 30.976 0.424 1 1 1040 . 14 1 1 A 111 111 LEU H H 111 7.080 7.652 -0.572 1 1 1041 . 14 1 1 A 111 111 LEU HA H 111 4.050 4.046 0.004 1 1 1051 . 14 1 1 A 111 111 LEU C C 111 178.800 179.159 -0.359 1 1 1052 . 14 1 1 A 111 111 LEU CA C 111 57.400 57.478 -0.078 1 1 1053 . 14 1 1 A 111 111 LEU CB C 111 40.100 41.349 -1.249 1 1 1056 . 14 1 1 A 111 111 LEU N N 111 117.700 116.962 0.738 1 1 1057 . 14 1 1 A 112 112 LEU H H 112 7.950 8.497 -0.547 1 1 1058 . 14 1 1 A 112 112 LEU HA H 112 4.050 3.996 0.054 1 1 1068 . 14 1 1 A 112 112 LEU C C 112 169.000 179.609 -10.609 1 1 1069 . 14 1 1 A 112 112 LEU CA C 112 58.000 57.845 0.155 1 1 1070 . 14 1 1 A 112 112 LEU CB C 112 41.100 40.529 0.571 1 1 1074 . 14 1 1 A 112 112 LEU N N 112 121.700 119.171 2.529 1 1 1075 . 14 1 1 A 113 113 ALA H H 113 8.230 7.966 0.264 1 1 1076 . 14 1 1 A 113 113 ALA HA H 113 4.110 4.128 -0.018 1 1 1080 . 14 1 1 A 113 113 ALA C C 113 178.700 178.359 0.341 1 1 1081 . 14 1 1 A 113 113 ALA CA C 113 54.400 54.369 0.031 1 1 1082 . 14 1 1 A 113 113 ALA CB C 113 18.100 18.218 -0.118 1 1 1083 . 14 1 1 A 113 113 ALA N N 113 120.900 122.486 -1.586 1 1 1084 . 14 1 1 A 114 114 MET H H 114 7.270 7.753 -0.483 1 1 1085 . 14 1 1 A 114 114 MET HA H 114 4.490 4.406 0.084 1 1 1093 . 14 1 1 A 114 114 MET C C 114 175.100 176.723 -1.623 1 1 1094 . 14 1 1 A 114 114 MET CA C 114 55.100 55.813 -0.713 1 1 1095 . 14 1 1 A 114 114 MET CB C 114 33.700 33.491 0.209 1 1 1098 . 14 1 1 A 114 114 MET N N 114 115.100 115.621 -0.521 1 1 1099 . 14 1 1 A 115 115 GLY H H 115 7.830 7.794 0.036 1 1 1100 . 14 1 1 A 115 115 GLY HA2 H 115 3.660 3.943 -0.283 1 1 1101 . 14 1 1 A 115 115 GLY HA3 H 115 4.060 3.944 0.116 1 1 1102 . 14 1 1 A 115 115 GLY C C 115 173.700 174.405 -0.705 1 1 1103 . 14 1 1 A 115 115 GLY CA C 115 45.600 45.129 0.471 1 1 1104 . 14 1 1 A 115 115 GLY N N 115 106.300 107.302 -1.002 1 1 1105 . 14 1 1 A 116 116 VAL H H 116 7.710 7.985 -0.275 1 1 1106 . 14 1 1 A 116 116 VAL HA H 116 3.820 3.979 -0.159 1 1 1114 . 14 1 1 A 116 116 VAL C C 116 174.800 175.554 -0.754 1 1 1115 . 14 1 1 A 116 116 VAL CA C 116 61.200 62.697 -1.497 1 1 1116 . 14 1 1 A 116 116 VAL CB C 116 32.800 31.616 1.184 1 1 1119 . 14 1 1 A 116 116 VAL N N 116 123.600 122.495 1.105 1 1 1120 . 14 1 1 A 117 117 GLY H H 117 7.730 8.981 -1.251 1 1 1121 . 14 1 1 A 117 117 GLY HA2 H 117 3.570 3.999 -0.429 1 1 1122 . 14 1 1 A 117 117 GLY HA3 H 117 4.040 4.001 0.039 1 1 1123 . 14 1 1 A 117 117 GLY C C 117 172.600 173.253 -0.653 1 1 1124 . 14 1 1 A 117 117 GLY CA C 117 45.500 45.419 0.081 1 1 1125 . 14 1 1 A 117 117 GLY N N 117 111.400 115.083 -3.683 1 1 1126 . 14 1 1 A 118 118 VAL H H 118 7.740 8.826 -1.086 1 1 1127 . 14 1 1 A 118 118 VAL HA H 118 5.100 4.749 0.351 1 1 1135 . 14 1 1 A 118 118 VAL C C 118 175.500 175.359 0.141 1 1 1136 . 14 1 1 A 118 118 VAL CA C 118 61.000 62.724 -1.724 1 1 1137 . 14 1 1 A 118 118 VAL CB C 118 34.300 32.021 2.279 1 1 1140 . 14 1 1 A 118 118 VAL N N 118 120.900 127.142 -6.242 1 1 1141 . 14 1 1 A 119 119 GLU H H 119 8.490 9.508 -1.018 1 1 1142 . 14 1 1 A 119 119 GLU HA H 119 4.630 4.984 -0.354 1 1 1147 . 14 1 1 A 119 119 GLU C C 119 173.500 175.431 -1.931 1 1 1148 . 14 1 1 A 119 119 GLU CA C 119 54.600 54.641 -0.041 1 1 1149 . 14 1 1 A 119 119 GLU CB C 119 32.300 31.792 0.508 1 1 1151 . 14 1 1 A 119 119 GLU N N 119 127.000 127.342 -0.342 1 1 1152 . 14 1 1 A 120 120 ALA H H 120 8.600 9.040 -0.440 1 1 1153 . 14 1 1 A 120 120 ALA HA H 120 5.530 5.452 0.078 1 1 1157 . 14 1 1 A 120 120 ALA C C 120 177.100 176.633 0.467 1 1 1158 . 14 1 1 A 120 120 ALA CA C 120 50.300 50.608 -0.308 1 1 1159 . 14 1 1 A 120 120 ALA CB C 120 20.800 20.729 0.071 1 1 1160 . 14 1 1 A 120 120 ALA N N 120 126.500 128.741 -2.241 1 1 1161 . 14 1 1 A 121 121 MET H H 121 9.430 9.218 0.212 1 1 1162 . 14 1 1 A 121 121 MET HA H 121 4.630 4.998 -0.368 1 1 1170 . 14 1 1 A 121 121 MET C C 121 173.300 173.874 -0.574 1 1 1171 . 14 1 1 A 121 121 MET CA C 121 54.600 54.200 0.400 1 1 1172 . 14 1 1 A 121 121 MET CB C 121 36.800 37.380 -0.580 1 1 1175 . 14 1 1 A 121 121 MET N N 121 120.400 121.333 -0.933 1 1 1176 . 14 1 1 A 122 122 ASP H H 122 8.460 8.794 -0.334 1 1 1177 . 14 1 1 A 122 122 ASP HA H 122 4.170 4.874 -0.704 1 1 1180 . 14 1 1 A 122 122 ASP C C 122 175.200 177.394 -2.194 1 1 1181 . 14 1 1 A 122 122 ASP CA C 122 55.000 54.382 0.618 1 1 1182 . 14 1 1 A 122 122 ASP CB C 122 41.000 42.931 -1.931 1 1 1183 . 14 1 1 A 122 122 ASP N N 122 116.700 121.522 -4.822 1 1 1184 . 14 1 1 A 123 123 THR H H 123 9.580 8.739 0.841 1 1 1185 . 14 1 1 A 123 123 THR HA H 123 3.670 3.891 -0.221 1 1 1191 . 14 1 1 A 123 123 THR C C 123 174.400 176.173 -1.773 1 1 1192 . 14 1 1 A 123 123 THR CA C 123 68.700 65.984 2.716 1 1 1193 . 14 1 1 A 123 123 THR CB C 123 68.800 68.575 0.225 1 1 1195 . 14 1 1 A 123 123 THR N N 123 119.600 119.855 -0.255 1 1 1196 . 14 1 1 A 124 124 GLN H H 124 8.580 8.247 0.333 1 1 1197 . 14 1 1 A 124 124 GLN HA H 124 3.240 3.941 -0.701 1 1 1202 . 14 1 1 A 124 124 GLN C C 124 177.700 177.543 0.157 1 1 1203 . 14 1 1 A 124 124 GLN CA C 124 60.100 58.511 1.589 1 1 1204 . 14 1 1 A 124 124 GLN CB C 124 27.400 28.642 -1.242 1 1 1206 . 14 1 1 A 124 124 GLN N N 124 121.500 121.027 0.473 1 1 1207 . 14 1 1 A 125 125 ALA H H 125 8.210 8.095 0.115 1 1 1208 . 14 1 1 A 125 125 ALA HA H 125 3.960 4.142 -0.182 1 1 1212 . 14 1 1 A 125 125 ALA C C 125 167.800 180.006 -12.206 1 1 1213 . 14 1 1 A 125 125 ALA CA C 125 54.800 54.847 -0.047 1 1 1214 . 14 1 1 A 125 125 ALA CB C 125 18.700 18.098 0.602 1 1 1215 . 14 1 1 A 125 125 ALA N N 125 122.600 121.306 1.294 1 1 1216 . 14 1 1 A 126 126 ALA H H 126 8.900 8.510 0.390 1 1 1217 . 14 1 1 A 126 126 ALA HA H 126 4.110 4.060 0.050 1 1 1221 . 14 1 1 A 126 126 ALA C C 126 178.500 179.658 -1.158 1 1 1222 . 14 1 1 A 126 126 ALA CA C 126 55.300 54.989 0.311 1 1 1223 . 14 1 1 A 126 126 ALA CB C 126 18.100 18.348 -0.248 1 1 1224 . 14 1 1 A 126 126 ALA N N 126 124.600 120.133 4.467 1 1 1225 . 14 1 1 A 127 127 ALA H H 127 8.440 8.057 0.383 1 1 1226 . 14 1 1 A 127 127 ALA HA H 127 3.850 4.097 -0.247 1 1 1230 . 14 1 1 A 127 127 ALA C C 127 178.400 180.593 -2.193 1 1 1231 . 14 1 1 A 127 127 ALA CA C 127 55.500 55.462 0.038 1 1 1232 . 14 1 1 A 127 127 ALA CB C 127 18.500 18.284 0.216 1 1 1233 . 14 1 1 A 127 127 ALA N N 127 120.200 120.621 -0.421 1 1 1234 . 14 1 1 A 128 128 ARG H H 128 7.790 8.023 -0.233 1 1 1235 . 14 1 1 A 128 128 ARG HA H 128 4.020 4.098 -0.078 1 1 1240 . 14 1 1 A 128 128 ARG C C 128 179.400 178.987 0.413 1 1 1241 . 14 1 1 A 128 128 ARG CA C 128 59.600 59.586 0.014 1 1 1242 . 14 1 1 A 128 128 ARG CB C 128 30.800 29.715 1.085 1 1 1244 . 14 1 1 A 128 128 ARG N N 128 115.900 117.684 -1.784 1 1 1245 . 14 1 1 A 129 129 THR H H 129 8.440 8.006 0.434 1 1 1246 . 14 1 1 A 129 129 THR HA H 129 3.770 3.997 -0.227 1 1 1251 . 14 1 1 A 129 129 THR C C 129 175.300 175.908 -0.608 1 1 1252 . 14 1 1 A 129 129 THR CA C 129 67.300 66.709 0.591 1 1 1253 . 14 1 1 A 129 129 THR CB C 129 68.300 68.522 -0.222 1 1 1255 . 14 1 1 A 129 129 THR N N 129 116.400 118.142 -1.742 1 1 1256 . 14 1 1 A 130 130 TYR H H 130 8.790 8.481 0.309 1 1 1257 . 14 1 1 A 130 130 TYR HA H 130 3.600 4.166 -0.566 1 1 1262 . 14 1 1 A 130 130 TYR C C 130 175.500 177.821 -2.321 1 1 1263 . 14 1 1 A 130 130 TYR CA C 130 62.600 61.999 0.601 1 1 1264 . 14 1 1 A 130 130 TYR CB C 130 37.500 38.782 -1.282 1 1 1265 . 14 1 1 A 130 130 TYR N N 130 123.500 123.174 0.326 1 1 1266 . 14 1 1 A 131 131 ASN H H 131 7.800 8.242 -0.442 1 1 1267 . 14 1 1 A 131 131 ASN HA H 131 4.220 4.309 -0.089 1 1 1270 . 14 1 1 A 131 131 ASN C C 131 179.200 178.129 1.071 1 1 1271 . 14 1 1 A 131 131 ASN CA C 131 55.500 56.216 -0.716 1 1 1272 . 14 1 1 A 131 131 ASN CB C 131 37.100 38.249 -1.149 1 1 1273 . 14 1 1 A 131 131 ASN N N 131 117.700 118.319 -0.619 1 1 1274 . 14 1 1 A 132 132 ILE H H 132 7.520 7.540 -0.020 1 1 1275 . 14 1 1 A 132 132 ILE HA H 132 3.710 3.665 0.045 1 1 1285 . 14 1 1 A 132 132 ILE C C 132 178.100 178.263 -0.163 1 1 1286 . 14 1 1 A 132 132 ILE CA C 132 64.900 65.165 -0.265 1 1 1287 . 14 1 1 A 132 132 ILE CB C 132 38.500 38.038 0.462 1 1 1291 . 14 1 1 A 132 132 ILE N N 132 121.000 120.100 0.900 1 1 1292 . 14 1 1 A 133 133 LEU H H 133 8.420 8.466 -0.046 1 1 1293 . 14 1 1 A 133 133 LEU HA H 133 3.910 3.891 0.019 1 1 1303 . 14 1 1 A 133 133 LEU C C 133 179.600 179.349 0.251 1 1 1304 . 14 1 1 A 133 133 LEU CA C 133 57.900 57.857 0.043 1 1 1305 . 14 1 1 A 133 133 LEU CB C 133 41.700 41.289 0.411 1 1 1309 . 14 1 1 A 133 133 LEU N N 133 120.500 118.581 1.919 1 1 1310 . 14 1 1 A 134 134 MET H H 134 8.990 8.578 0.412 1 1 1311 . 14 1 1 A 134 134 MET HA H 134 3.870 4.048 -0.178 1 1 1319 . 14 1 1 A 134 134 MET C C 134 167.400 177.791 -10.391 1 1 1320 . 14 1 1 A 134 134 MET CA C 134 58.400 58.306 0.094 1 1 1321 . 14 1 1 A 134 134 MET CB C 134 30.700 31.858 -1.158 1 1 1324 . 14 1 1 A 134 134 MET N N 134 119.900 118.391 1.509 1 1 1325 . 14 1 1 A 135 135 ALA H H 135 7.490 7.788 -0.298 1 1 1326 . 14 1 1 A 135 135 ALA HA H 135 4.060 3.870 0.190 1 1 1330 . 14 1 1 A 135 135 ALA C C 135 179.100 179.435 -0.335 1 1 1331 . 14 1 1 A 135 135 ALA CA C 135 54.700 55.344 -0.644 1 1 1332 . 14 1 1 A 135 135 ALA CB C 135 18.000 18.061 -0.061 1 1 1333 . 14 1 1 A 135 135 ALA N N 135 124.600 121.524 3.076 1 1 1334 . 14 1 1 A 136 136 GLU H H 136 7.540 7.803 -0.263 1 1 1335 . 14 1 1 A 136 136 GLU HA H 136 4.230 4.278 -0.048 1 1 1340 . 14 1 1 A 136 136 GLU C C 136 176.900 176.891 0.009 1 1 1341 . 14 1 1 A 136 136 GLU CA C 136 56.400 56.515 -0.115 1 1 1342 . 14 1 1 A 136 136 GLU CB C 136 30.300 29.863 0.437 1 1 1344 . 14 1 1 A 136 136 GLU N N 136 116.500 115.633 0.867 1 1 1345 . 14 1 1 A 137 137 GLY H H 137 7.870 7.743 0.127 1 1 1346 . 14 1 1 A 137 137 GLY HA2 H 137 3.760 3.906 -0.146 1 1 1347 . 14 1 1 A 137 137 GLY HA3 H 137 4.140 3.919 0.221 1 1 1348 . 14 1 1 A 137 137 GLY C C 137 175.100 174.738 0.362 1 1 1349 . 14 1 1 A 137 137 GLY CA C 137 45.600 45.530 0.070 1 1 1350 . 14 1 1 A 137 137 GLY N N 137 107.100 108.087 -0.987 1 1 1351 . 14 1 1 A 138 138 ARG H H 138 7.580 7.641 -0.061 1 1 1352 . 14 1 1 A 138 138 ARG HA H 138 4.270 4.343 -0.073 1 1 1357 . 14 1 1 A 138 138 ARG C C 138 176.900 175.954 0.946 1 1 1358 . 14 1 1 A 138 138 ARG CA C 138 54.500 55.688 -1.188 1 1 1359 . 14 1 1 A 138 138 ARG CB C 138 30.100 31.505 -1.405 1 1 1361 . 14 1 1 A 138 138 ARG N N 138 118.100 119.668 -1.568 1 1 1362 . 14 1 1 A 139 139 ARG H H 139 9.240 8.815 0.425 1 1 1363 . 14 1 1 A 139 139 ARG HA H 139 4.470 4.501 -0.031 1 1 1370 . 14 1 1 A 139 139 ARG C C 139 174.400 175.000 -0.600 1 1 1371 . 14 1 1 A 139 139 ARG CA C 139 55.700 55.441 0.259 1 1 1372 . 14 1 1 A 139 139 ARG CB C 139 28.000 29.440 -1.440 1 1 1375 . 14 1 1 A 139 139 ARG N N 139 124.400 121.982 2.418 1 1 1376 . 14 1 1 A 140 140 VAL H H 140 7.250 8.285 -1.035 1 1 1377 . 14 1 1 A 140 140 VAL HA H 140 5.180 5.412 -0.232 1 1 1385 . 14 1 1 A 140 140 VAL C C 140 172.800 173.913 -1.113 1 1 1386 . 14 1 1 A 140 140 VAL CA C 140 57.700 59.977 -2.277 1 1 1387 . 14 1 1 A 140 140 VAL CB C 140 34.700 34.484 0.216 1 1 1390 . 14 1 1 A 140 140 VAL N N 140 121.900 124.149 -2.249 1 1 1391 . 14 1 1 A 141 141 VAL H H 141 8.180 8.695 -0.515 1 1 1392 . 14 1 1 A 141 141 VAL HA H 141 4.510 4.941 -0.431 1 1 1400 . 14 1 1 A 141 141 VAL C C 141 172.600 174.143 -1.543 1 1 1401 . 14 1 1 A 141 141 VAL CA C 141 60.300 60.717 -0.417 1 1 1402 . 14 1 1 A 141 141 VAL CB C 141 35.600 34.502 1.098 1 1 1405 . 14 1 1 A 141 141 VAL N N 141 123.900 128.169 -4.269 1 1 1406 . 14 1 1 A 142 142 VAL H H 142 8.430 8.280 0.150 1 1 1407 . 14 1 1 A 142 142 VAL HA H 142 5.220 5.018 0.202 1 1 1415 . 14 1 1 A 142 142 VAL C C 142 170.000 172.795 -2.795 1 1 1416 . 14 1 1 A 142 142 VAL CA C 142 57.600 58.857 -1.257 1 1 1417 . 14 1 1 A 142 142 VAL CB C 142 35.500 33.879 1.621 1 1 1420 . 14 1 1 A 142 142 VAL N N 142 124.600 127.850 -3.250 1 1 1421 . 14 1 1 A 143 143 ALA H H 143 8.220 9.063 -0.843 1 1 1422 . 14 1 1 A 143 143 ALA HA H 143 4.680 5.002 -0.322 1 1 1426 . 14 1 1 A 143 143 ALA C C 143 175.400 175.260 0.140 1 1 1427 . 14 1 1 A 143 143 ALA CA C 143 49.900 49.915 -0.015 1 1 1428 . 14 1 1 A 143 143 ALA CB C 143 19.600 20.384 -0.784 1 1 1429 . 14 1 1 A 143 143 ALA N N 143 129.100 130.382 -1.282 1 1 1430 . 14 1 1 A 144 144 LEU H H 144 9.070 9.095 -0.025 1 1 1431 . 14 1 1 A 144 144 LEU HA H 144 4.840 5.178 -0.338 1 1 1441 . 14 1 1 A 144 144 LEU CA C 144 53.400 53.327 0.073 1 1 1442 . 14 1 1 A 144 144 LEU CB C 144 46.500 43.640 2.860 1 1 1445 . 14 1 1 A 144 144 LEU N N 144 119.600 123.823 -4.223 1 1 1446 . 14 1 1 A 145 145 LEU HA H 145 4.830 4.924 -0.094 1 1 1456 . 14 1 1 A 145 145 LEU CA C 145 51.800 51.114 0.686 1 1 1457 . 14 1 1 A 145 145 LEU CB C 145 41.700 43.007 -1.307 1 1 1461 . 14 1 1 A 146 146 PRO HA H 146 4.330 5.022 -0.692 1 1 1466 . 14 1 1 A 146 146 PRO C C 146 175.700 176.675 -0.975 1 1 1467 . 14 1 1 A 146 146 PRO CA C 146 62.800 62.243 0.557 1 1 1468 . 14 1 1 A 146 146 PRO CB C 146 31.500 32.153 -0.653 1 1 1470 . 14 1 1 A 147 147 ASP H H 147 8.660 8.446 0.214 1 1 1471 . 14 1 1 A 147 147 ASP HA H 147 4.510 4.897 -0.387 1 1 1474 . 14 1 1 A 147 147 ASP C C 147 176.300 176.562 -0.262 1 1 1475 . 14 1 1 A 147 147 ASP CA C 147 54.300 52.506 1.794 1 1 1476 . 14 1 1 A 147 147 ASP CB C 147 42.100 41.390 0.710 1 1 1477 . 14 1 1 A 147 147 ASP N N 147 120.700 119.805 0.895 1 1 1478 . 14 1 1 A 148 148 GLY H H 148 8.310 8.369 -0.059 1 1 1479 . 14 1 1 A 148 148 GLY HA2 H 148 4.020 4.189 -0.169 1 1 1480 . 14 1 1 A 148 148 GLY HA3 H 148 4.050 4.193 -0.143 1 1 1481 . 14 1 1 A 148 148 GLY C C 148 173.600 174.847 -1.247 1 1 1482 . 14 1 1 A 148 148 GLY CA C 148 45.200 45.354 -0.154 1 1 1483 . 14 1 1 A 148 148 GLY N N 148 109.400 107.640 1.760 1 1 1484 . 14 1 1 A 149 149 ASP H H 149 8.550 7.911 0.639 1 1 1485 . 14 1 1 A 149 149 ASP HA H 149 4.650 4.525 0.125 1 1 1488 . 14 1 1 A 149 149 ASP C C 149 176.700 177.056 -0.356 1 1 1489 . 14 1 1 A 149 149 ASP CA C 149 54.500 55.833 -1.333 1 1 1490 . 14 1 1 A 149 149 ASP CB C 149 41.600 41.111 0.489 1 1 1491 . 14 1 1 A 149 149 ASP N N 149 120.800 119.682 1.118 1 1 1492 . 14 1 1 A 150 150 SER H H 150 8.600 8.032 0.568 1 1 1493 . 14 1 1 A 150 150 SER HA H 150 4.350 4.341 0.009 1 1 1496 . 14 1 1 A 150 150 SER C C 150 175.000 174.154 0.846 1 1 1497 . 14 1 1 A 150 150 SER CA C 150 58.900 59.981 -1.081 1 1 1498 . 14 1 1 A 150 150 SER CB C 150 63.500 63.518 -0.018 1 1 1499 . 14 1 1 A 150 150 SER N N 150 116.400 116.324 0.076 1 1 1500 . 14 1 1 A 151 151 LEU H H 151 8.290 8.592 -0.302 1 1 1501 . 14 1 1 A 151 151 LEU CA C 151 55.500 54.176 1.324 1 1 1502 . 14 1 1 A 151 151 LEU CB C 151 41.900 42.637 -0.737 1 1 5 . 15 1 1 A 4 4 HIS C C 4 174.800 174.110 0.690 1 1 6 . 15 1 1 A 4 4 HIS CA C 4 55.900 54.293 1.607 1 1 7 . 15 1 1 A 4 4 HIS CB C 4 30.000 29.533 0.467 1 1 8 . 15 1 1 A 5 5 THR H H 5 7.990 7.945 0.045 1 1 9 . 15 1 1 A 5 5 THR C C 5 173.800 174.575 -0.775 1 1 10 . 15 1 1 A 5 5 THR CA C 5 61.500 64.333 -2.833 1 1 11 . 15 1 1 A 5 5 THR CB C 5 69.900 69.122 0.778 1 1 12 . 15 1 1 A 5 5 THR N N 5 115.300 121.877 -6.577 1 1 13 . 15 1 1 A 6 6 ASP H H 6 8.370 8.798 -0.428 1 1 14 . 15 1 1 A 6 6 ASP HA H 6 4.860 4.706 0.154 1 1 17 . 15 1 1 A 6 6 ASP CA C 6 52.500 52.901 -0.401 1 1 18 . 15 1 1 A 6 6 ASP CB C 6 41.100 40.725 0.375 1 1 19 . 15 1 1 A 6 6 ASP N N 6 124.400 126.676 -2.276 1 1 20 . 15 1 1 A 7 7 PRO HA H 7 4.350 4.469 -0.119 1 1 26 . 15 1 1 A 7 7 PRO C C 7 176.900 177.820 -0.920 1 1 27 . 15 1 1 A 7 7 PRO CA C 7 63.500 63.281 0.219 1 1 28 . 15 1 1 A 7 7 PRO CB C 7 32.100 32.243 -0.143 1 1 31 . 15 1 1 A 8 8 ALA H H 8 8.420 8.222 0.198 1 1 32 . 15 1 1 A 8 8 ALA HA H 8 4.260 4.059 0.201 1 1 36 . 15 1 1 A 8 8 ALA C C 8 178.100 177.912 0.188 1 1 37 . 15 1 1 A 8 8 ALA CA C 8 52.900 55.155 -2.255 1 1 38 . 15 1 1 A 8 8 ALA CB C 8 19.200 18.722 0.478 1 1 39 . 15 1 1 A 8 8 ALA N N 8 122.700 126.931 -4.231 1 1 40 . 15 1 1 A 9 9 THR H H 9 7.880 7.896 -0.016 1 1 41 . 15 1 1 A 9 9 THR HA H 9 4.230 4.614 -0.384 1 1 46 . 15 1 1 A 9 9 THR C C 9 173.800 175.535 -1.735 1 1 47 . 15 1 1 A 9 9 THR CA C 9 61.700 59.875 1.825 1 1 48 . 15 1 1 A 9 9 THR CB C 9 69.700 71.122 -1.422 1 1 50 . 15 1 1 A 9 9 THR N N 9 112.900 109.107 3.793 1 1 51 . 15 1 1 A 10 10 ALA H H 10 8.160 8.940 -0.780 1 1 52 . 15 1 1 A 10 10 ALA HA H 10 4.340 4.110 0.230 1 1 56 . 15 1 1 A 10 10 ALA C C 10 177.000 178.433 -1.433 1 1 57 . 15 1 1 A 10 10 ALA CA C 10 52.300 54.660 -2.360 1 1 58 . 15 1 1 A 10 10 ALA CB C 10 19.400 18.743 0.657 1 1 59 . 15 1 1 A 10 10 ALA N N 10 127.000 123.579 3.421 1 1 60 . 15 1 1 A 11 11 LEU H H 11 8.040 7.641 0.399 1 1 61 . 15 1 1 A 11 11 LEU HA H 11 4.640 4.250 0.390 1 1 70 . 15 1 1 A 11 11 LEU C C 11 178.300 176.245 2.055 1 1 71 . 15 1 1 A 11 11 LEU CA C 11 54.000 55.091 -1.091 1 1 72 . 15 1 1 A 11 11 LEU CB C 11 42.900 41.637 1.263 1 1 75 . 15 1 1 A 11 11 LEU N N 11 121.500 119.706 1.794 1 1 76 . 15 1 1 A 12 12 ASN H H 12 9.700 8.880 0.820 1 1 77 . 15 1 1 A 12 12 ASN HA H 12 4.760 4.952 -0.192 1 1 80 . 15 1 1 A 12 12 ASN C C 12 174.700 174.964 -0.264 1 1 81 . 15 1 1 A 12 12 ASN CA C 12 54.100 53.388 0.712 1 1 82 . 15 1 1 A 12 12 ASN CB C 12 38.100 38.015 0.085 1 1 83 . 15 1 1 A 12 12 ASN N N 12 121.500 123.804 -2.304 1 1 84 . 15 1 1 A 13 13 THR H H 13 8.710 8.249 0.461 1 1 85 . 15 1 1 A 13 13 THR HA H 13 4.760 4.770 -0.010 1 1 90 . 15 1 1 A 13 13 THR C C 13 173.600 174.261 -0.661 1 1 91 . 15 1 1 A 13 13 THR CA C 13 61.900 62.653 -0.753 1 1 92 . 15 1 1 A 13 13 THR CB C 13 71.500 69.690 1.810 1 1 94 . 15 1 1 A 13 13 THR N N 13 121.800 121.963 -0.163 1 1 95 . 15 1 1 A 14 14 VAL H H 14 9.500 9.009 0.491 1 1 96 . 15 1 1 A 14 14 VAL HA H 14 4.660 4.218 0.442 1 1 104 . 15 1 1 A 14 14 VAL C C 14 177.000 175.634 1.366 1 1 105 . 15 1 1 A 14 14 VAL CA C 14 63.800 63.268 0.532 1 1 106 . 15 1 1 A 14 14 VAL CB C 14 30.600 31.079 -0.479 1 1 109 . 15 1 1 A 14 14 VAL N N 14 126.700 127.246 -0.546 1 1 110 . 15 1 1 A 15 15 THR H H 15 8.900 9.222 -0.322 1 1 111 . 15 1 1 A 15 15 THR HA H 15 4.300 4.369 -0.069 1 1 116 . 15 1 1 A 15 15 THR C C 15 174.900 175.132 -0.232 1 1 117 . 15 1 1 A 15 15 THR CA C 15 62.800 63.941 -1.141 1 1 118 . 15 1 1 A 15 15 THR CB C 15 68.700 69.126 -0.426 1 1 120 . 15 1 1 A 15 15 THR N N 15 122.000 123.408 -1.408 1 1 121 . 15 1 1 A 16 16 ALA H H 16 7.960 7.300 0.660 1 1 122 . 15 1 1 A 16 16 ALA HA H 16 4.360 4.727 -0.367 1 1 126 . 15 1 1 A 16 16 ALA C C 16 174.400 174.767 -0.367 1 1 127 . 15 1 1 A 16 16 ALA CA C 16 52.600 51.546 1.054 1 1 128 . 15 1 1 A 16 16 ALA CB C 16 21.900 22.460 -0.560 1 1 129 . 15 1 1 A 16 16 ALA N N 16 120.900 120.196 0.704 1 1 130 . 15 1 1 A 17 17 TYR H H 17 7.790 9.186 -1.396 1 1 131 . 15 1 1 A 17 17 TYR HA H 17 4.390 5.029 -0.639 1 1 136 . 15 1 1 A 17 17 TYR C C 17 173.000 175.013 -2.013 1 1 137 . 15 1 1 A 17 17 TYR CA C 17 56.400 56.509 -0.109 1 1 138 . 15 1 1 A 17 17 TYR CB C 17 39.700 39.491 0.209 1 1 141 . 15 1 1 A 17 17 TYR N N 17 114.800 125.476 -10.676 1 1 142 . 15 1 1 A 18 18 GLY H H 18 7.030 8.050 -1.020 1 1 143 . 15 1 1 A 18 18 GLY HA2 H 18 3.210 2.604 0.606 1 1 144 . 15 1 1 A 18 18 GLY HA3 H 18 3.900 3.798 0.102 1 1 145 . 15 1 1 A 18 18 GLY C C 18 172.200 174.494 -2.294 1 1 146 . 15 1 1 A 18 18 GLY CA C 18 44.900 43.468 1.432 1 1 147 . 15 1 1 A 18 18 GLY N N 18 108.600 113.092 -4.492 1 1 148 . 15 1 1 A 19 19 ASP H H 19 8.410 8.420 -0.010 1 1 149 . 15 1 1 A 19 19 ASP HA H 19 4.320 4.257 0.063 1 1 152 . 15 1 1 A 19 19 ASP C C 19 176.500 177.519 -1.019 1 1 153 . 15 1 1 A 19 19 ASP CA C 19 55.600 57.043 -1.443 1 1 154 . 15 1 1 A 19 19 ASP CB C 19 39.500 41.067 -1.567 1 1 155 . 15 1 1 A 19 19 ASP N N 19 120.400 118.693 1.707 1 1 156 . 15 1 1 A 20 20 GLY H H 20 8.670 7.950 0.720 1 1 157 . 15 1 1 A 20 20 GLY HA2 H 20 3.670 4.001 -0.331 1 1 158 . 15 1 1 A 20 20 GLY HA3 H 20 4.210 4.081 0.129 1 1 159 . 15 1 1 A 20 20 GLY C C 20 173.900 173.720 0.180 1 1 160 . 15 1 1 A 20 20 GLY CA C 20 45.800 45.731 0.069 1 1 161 . 15 1 1 A 20 20 GLY N N 20 113.500 105.551 7.949 1 1 162 . 15 1 1 A 21 21 TYR H H 21 7.530 7.192 0.338 1 1 163 . 15 1 1 A 21 21 TYR HA H 21 5.480 5.300 0.180 1 1 168 . 15 1 1 A 21 21 TYR C C 21 172.800 172.776 0.024 1 1 169 . 15 1 1 A 21 21 TYR CA C 21 56.700 56.231 0.469 1 1 170 . 15 1 1 A 21 21 TYR CB C 21 41.400 41.306 0.094 1 1 173 . 15 1 1 A 21 21 TYR N N 21 114.300 116.438 -2.138 1 1 174 . 15 1 1 A 22 22 ILE H H 22 8.780 9.584 -0.804 1 1 175 . 15 1 1 A 22 22 ILE HA H 22 4.350 4.608 -0.258 1 1 185 . 15 1 1 A 22 22 ILE C C 22 173.800 174.500 -0.700 1 1 186 . 15 1 1 A 22 22 ILE CA C 22 60.200 60.145 0.055 1 1 187 . 15 1 1 A 22 22 ILE CB C 22 41.700 39.870 1.830 1 1 191 . 15 1 1 A 22 22 ILE N N 22 119.300 121.893 -2.593 1 1 192 . 15 1 1 A 23 23 GLU H H 23 9.010 9.271 -0.261 1 1 193 . 15 1 1 A 23 23 GLU HA H 23 5.680 4.987 0.693 1 1 198 . 15 1 1 A 23 23 GLU C C 23 175.000 175.408 -0.408 1 1 199 . 15 1 1 A 23 23 GLU CA C 23 54.300 55.635 -1.335 1 1 200 . 15 1 1 A 23 23 GLU CB C 23 33.500 30.805 2.695 1 1 202 . 15 1 1 A 23 23 GLU N N 23 127.800 128.653 -0.853 1 1 203 . 15 1 1 A 24 24 VAL H H 24 8.980 9.062 -0.082 1 1 204 . 15 1 1 A 24 24 VAL HA H 24 4.840 4.569 0.271 1 1 212 . 15 1 1 A 24 24 VAL C C 24 177.300 176.353 0.947 1 1 213 . 15 1 1 A 24 24 VAL CA C 24 60.600 61.111 -0.511 1 1 214 . 15 1 1 A 24 24 VAL CB C 24 33.600 33.130 0.470 1 1 217 . 15 1 1 A 24 24 VAL N N 24 125.400 128.302 -2.902 1 1 218 . 15 1 1 A 25 25 ASN H H 25 9.340 9.361 -0.021 1 1 219 . 15 1 1 A 25 25 ASN HA H 25 4.340 4.668 -0.328 1 1 222 . 15 1 1 A 25 25 ASN C C 25 173.800 174.497 -0.697 1 1 223 . 15 1 1 A 25 25 ASN CA C 25 54.600 54.778 -0.178 1 1 224 . 15 1 1 A 25 25 ASN CB C 25 36.600 38.554 -1.954 1 1 225 . 15 1 1 A 25 25 ASN N N 25 127.800 125.163 2.637 1 1 226 . 15 1 1 A 26 26 GLN H H 26 7.920 8.715 -0.795 1 1 227 . 15 1 1 A 26 26 GLN HA H 26 3.670 4.579 -0.909 1 1 232 . 15 1 1 A 26 26 GLN C C 26 174.400 175.082 -0.682 1 1 233 . 15 1 1 A 26 26 GLN CA C 26 58.100 56.927 1.173 1 1 234 . 15 1 1 A 26 26 GLN CB C 26 26.500 31.896 -5.396 1 1 236 . 15 1 1 A 26 26 GLN N N 26 104.100 118.499 -14.399 1 1 237 . 15 1 1 A 27 27 VAL H H 27 7.850 7.075 0.775 1 1 238 . 15 1 1 A 27 27 VAL HA H 27 3.900 3.760 0.140 1 1 246 . 15 1 1 A 27 27 VAL C C 27 174.200 174.777 -0.577 1 1 247 . 15 1 1 A 27 27 VAL CA C 27 62.100 62.366 -0.266 1 1 248 . 15 1 1 A 27 27 VAL CB C 27 32.500 31.936 0.564 1 1 251 . 15 1 1 A 27 27 VAL N N 27 123.100 121.154 1.946 1 1 252 . 15 1 1 A 28 28 ARG H H 28 8.430 8.261 0.169 1 1 253 . 15 1 1 A 28 28 ARG HA H 28 4.320 4.671 -0.351 1 1 256 . 15 1 1 A 28 28 ARG C C 28 175.200 175.062 0.138 1 1 257 . 15 1 1 A 28 28 ARG CA C 28 57.100 55.053 2.047 1 1 258 . 15 1 1 A 28 28 ARG CB C 28 31.300 31.395 -0.095 1 1 259 . 15 1 1 A 28 28 ARG N N 28 126.200 127.518 -1.318 1 1 260 . 15 1 1 A 29 29 PHE H H 29 9.290 9.719 -0.429 1 1 261 . 15 1 1 A 29 29 PHE HA H 29 4.580 5.184 -0.604 1 1 266 . 15 1 1 A 29 29 PHE C C 29 175.800 175.773 0.027 1 1 267 . 15 1 1 A 29 29 PHE CA C 29 57.700 56.671 1.029 1 1 268 . 15 1 1 A 29 29 PHE CB C 29 42.000 40.214 1.786 1 1 271 . 15 1 1 A 29 29 PHE N N 29 123.900 123.839 0.061 1 1 272 . 15 1 1 A 30 30 SER H H 30 8.950 8.935 0.015 1 1 273 . 15 1 1 A 30 30 SER HA H 30 5.130 4.718 0.412 1 1 276 . 15 1 1 A 30 30 SER C C 30 172.900 173.826 -0.926 1 1 277 . 15 1 1 A 30 30 SER CA C 30 57.000 58.416 -1.416 1 1 278 . 15 1 1 A 30 30 SER CB C 30 63.200 63.412 -0.212 1 1 279 . 15 1 1 A 30 30 SER N N 30 119.400 117.117 2.283 1 1 280 . 15 1 1 A 31 31 HIS H H 31 7.170 7.802 -0.632 1 1 281 . 15 1 1 A 31 31 HIS HA H 31 4.840 5.027 -0.187 1 1 284 . 15 1 1 A 31 31 HIS C C 31 171.900 173.057 -1.157 1 1 285 . 15 1 1 A 31 31 HIS CA C 31 53.200 55.074 -1.874 1 1 286 . 15 1 1 A 31 31 HIS CB C 31 31.100 33.478 -2.378 1 1 287 . 15 1 1 A 31 31 HIS N N 31 114.600 121.042 -6.442 1 1 288 . 15 1 1 A 32 32 ALA H H 32 8.930 8.048 0.882 1 1 289 . 15 1 1 A 32 32 ALA HA H 32 5.050 4.371 0.679 1 1 293 . 15 1 1 A 32 32 ALA C C 32 179.000 177.902 1.098 1 1 294 . 15 1 1 A 32 32 ALA CA C 32 53.700 52.913 0.787 1 1 295 . 15 1 1 A 32 32 ALA CB C 32 20.700 19.236 1.464 1 1 296 . 15 1 1 A 32 32 ALA N N 32 120.200 126.227 -6.027 1 1 297 . 15 1 1 A 33 33 ILE H H 33 8.280 8.699 -0.419 1 1 298 . 15 1 1 A 33 33 ILE HA H 33 5.520 5.354 0.166 1 1 308 . 15 1 1 A 33 33 ILE C C 33 173.400 174.674 -1.274 1 1 309 . 15 1 1 A 33 33 ILE CA C 33 59.500 59.420 0.080 1 1 310 . 15 1 1 A 33 33 ILE CB C 33 44.500 42.341 2.159 1 1 313 . 15 1 1 A 33 33 ILE N N 33 115.800 118.476 -2.676 1 1 314 . 15 1 1 A 34 34 ALA H H 34 8.900 9.216 -0.316 1 1 315 . 15 1 1 A 34 34 ALA HA H 34 5.290 5.519 -0.229 1 1 319 . 15 1 1 A 34 34 ALA C C 34 176.100 175.885 0.215 1 1 320 . 15 1 1 A 34 34 ALA CA C 34 51.100 50.693 0.407 1 1 321 . 15 1 1 A 34 34 ALA CB C 34 21.900 21.862 0.038 1 1 322 . 15 1 1 A 34 34 ALA N N 34 121.600 124.552 -2.952 1 1 323 . 15 1 1 A 35 35 PHE H H 35 8.580 8.313 0.267 1 1 324 . 15 1 1 A 35 35 PHE HA H 35 4.740 5.243 -0.503 1 1 330 . 15 1 1 A 35 35 PHE C C 35 170.000 172.450 -2.450 1 1 331 . 15 1 1 A 35 35 PHE CA C 35 57.100 55.548 1.552 1 1 332 . 15 1 1 A 35 35 PHE CB C 35 39.700 41.903 -2.203 1 1 336 . 15 1 1 A 35 35 PHE N N 35 116.600 117.611 -1.011 1 1 337 . 15 1 1 A 36 36 ALA H H 36 8.730 8.940 -0.210 1 1 338 . 15 1 1 A 36 36 ALA HA H 36 5.170 5.113 0.057 1 1 342 . 15 1 1 A 36 36 ALA CA C 36 49.100 49.823 -0.723 1 1 343 . 15 1 1 A 36 36 ALA CB C 36 20.500 22.381 -1.881 1 1 344 . 15 1 1 A 36 36 ALA N N 36 123.400 121.713 1.687 1 1 345 . 15 1 1 A 37 37 PRO HA H 37 4.740 4.623 0.117 1 1 350 . 15 1 1 A 37 37 PRO C C 37 176.500 176.153 0.347 1 1 351 . 15 1 1 A 37 37 PRO CA C 37 66.200 63.876 2.324 1 1 352 . 15 1 1 A 37 37 PRO CB C 37 33.600 31.377 2.223 1 1 354 . 15 1 1 A 38 38 GLU H H 38 7.450 7.831 -0.381 1 1 355 . 15 1 1 A 38 38 GLU HA H 38 4.790 4.937 -0.147 1 1 360 . 15 1 1 A 38 38 GLU C C 38 177.300 175.205 2.095 1 1 361 . 15 1 1 A 38 38 GLU CA C 38 54.200 55.686 -1.486 1 1 362 . 15 1 1 A 38 38 GLU CB C 38 32.600 30.922 1.678 1 1 364 . 15 1 1 A 38 38 GLU N N 38 110.100 119.298 -9.198 1 1 365 . 15 1 1 A 39 39 GLY H H 39 8.600 8.457 0.143 1 1 366 . 15 1 1 A 39 39 GLY HA2 H 39 3.920 4.199 -0.279 1 1 367 . 15 1 1 A 39 39 GLY HA3 H 39 4.440 4.206 0.234 1 1 368 . 15 1 1 A 39 39 GLY CA C 39 44.400 44.534 -0.134 1 1 369 . 15 1 1 A 39 39 GLY N N 39 109.500 112.712 -3.212 1 1 370 . 15 1 1 A 40 40 PRO HA H 40 4.550 4.725 -0.175 1 1 375 . 15 1 1 A 40 40 PRO C C 40 177.100 175.693 1.407 1 1 376 . 15 1 1 A 40 40 PRO CA C 40 62.500 62.423 0.077 1 1 377 . 15 1 1 A 40 40 PRO CB C 40 32.700 32.874 -0.174 1 1 378 . 15 1 1 A 41 41 VAL H H 41 8.530 8.538 -0.008 1 1 379 . 15 1 1 A 41 41 VAL HA H 41 3.900 4.308 -0.408 1 1 387 . 15 1 1 A 41 41 VAL C C 41 175.200 175.391 -0.191 1 1 388 . 15 1 1 A 41 41 VAL CA C 41 63.000 61.605 1.395 1 1 389 . 15 1 1 A 41 41 VAL CB C 41 31.100 32.076 -0.976 1 1 392 . 15 1 1 A 41 41 VAL N N 41 123.000 119.954 3.046 1 1 393 . 15 1 1 A 42 42 ALA H H 42 8.320 9.182 -0.862 1 1 394 . 15 1 1 A 42 42 ALA HA H 42 4.750 5.119 -0.369 1 1 398 . 15 1 1 A 42 42 ALA C C 42 177.400 176.345 1.055 1 1 399 . 15 1 1 A 42 42 ALA CA C 42 50.800 50.654 0.146 1 1 400 . 15 1 1 A 42 42 ALA CB C 42 21.400 20.821 0.579 1 1 401 . 15 1 1 A 42 42 ALA N N 42 131.300 131.282 0.018 1 1 402 . 15 1 1 A 43 43 SER H H 43 8.660 8.677 -0.017 1 1 403 . 15 1 1 A 43 43 SER HA H 43 4.690 4.958 -0.268 1 1 406 . 15 1 1 A 43 43 SER CA C 43 59.000 57.095 1.905 1 1 407 . 15 1 1 A 43 43 SER CB C 43 62.800 64.397 -1.597 1 1 408 . 15 1 1 A 43 43 SER N N 43 115.400 114.906 0.494 1 1 409 . 15 1 1 A 44 44 TRP HA H 44 5.470 5.032 0.438 1 1 418 . 15 1 1 A 44 44 TRP CA C 44 52.200 55.759 -3.559 1 1 419 . 15 1 1 A 44 44 TRP CB C 44 31.000 30.989 0.011 1 1 426 . 15 1 1 A 45 45 PRO HA H 45 4.550 4.552 -0.002 1 1 431 . 15 1 1 A 45 45 PRO C C 45 173.000 175.915 -2.915 1 1 432 . 15 1 1 A 45 45 PRO CA C 45 63.300 63.331 -0.031 1 1 433 . 15 1 1 A 45 45 PRO CB C 45 27.800 30.788 -2.988 1 1 435 . 15 1 1 A 46 46 VAL H H 46 8.390 7.396 0.994 1 1 436 . 15 1 1 A 46 46 VAL HA H 46 3.770 4.019 -0.249 1 1 444 . 15 1 1 A 46 46 VAL C C 46 174.100 175.383 -1.283 1 1 445 . 15 1 1 A 46 46 VAL CA C 46 61.100 61.124 -0.024 1 1 446 . 15 1 1 A 46 46 VAL CB C 46 35.200 32.481 2.719 1 1 449 . 15 1 1 A 46 46 VAL N N 46 124.300 120.679 3.621 1 1 450 . 15 1 1 A 47 47 GLN H H 47 8.970 8.379 0.591 1 1 451 . 15 1 1 A 47 47 GLN HA H 47 4.430 4.554 -0.124 1 1 456 . 15 1 1 A 47 47 GLN C C 47 175.100 175.659 -0.559 1 1 457 . 15 1 1 A 47 47 GLN CA C 47 56.400 56.502 -0.102 1 1 458 . 15 1 1 A 47 47 GLN CB C 47 30.900 31.038 -0.138 1 1 459 . 15 1 1 A 47 47 GLN N N 47 122.000 125.581 -3.581 1 1 460 . 15 1 1 A 48 48 ARG H H 48 7.720 8.163 -0.443 1 1 461 . 15 1 1 A 48 48 ARG HA H 48 4.750 4.668 0.082 1 1 468 . 15 1 1 A 48 48 ARG CA C 48 52.800 52.715 0.085 1 1 469 . 15 1 1 A 48 48 ARG CB C 48 30.500 31.568 -1.068 1 1 471 . 15 1 1 A 48 48 ARG N N 48 116.600 118.378 -1.778 1 1 472 . 15 1 1 A 49 49 PRO HA H 49 3.750 4.410 -0.660 1 1 477 . 15 1 1 A 49 49 PRO C C 49 177.500 177.070 0.430 1 1 478 . 15 1 1 A 49 49 PRO CA C 49 65.400 64.265 1.135 1 1 479 . 15 1 1 A 49 49 PRO CB C 49 30.700 31.747 -1.047 1 1 481 . 15 1 1 A 50 50 ALA H H 50 7.960 8.234 -0.274 1 1 482 . 15 1 1 A 50 50 ALA HA H 50 4.010 4.125 -0.115 1 1 486 . 15 1 1 A 50 50 ALA C C 50 177.300 177.910 -0.610 1 1 487 . 15 1 1 A 50 50 ALA CA C 50 53.800 53.153 0.647 1 1 488 . 15 1 1 A 50 50 ALA CB C 50 18.500 18.978 -0.478 1 1 489 . 15 1 1 A 50 50 ALA N N 50 117.200 120.957 -3.757 1 1 490 . 15 1 1 A 51 51 ASP H H 51 7.570 7.935 -0.365 1 1 491 . 15 1 1 A 51 51 ASP HA H 51 4.410 4.529 -0.119 1 1 494 . 15 1 1 A 51 51 ASP C C 51 176.000 177.120 -1.120 1 1 495 . 15 1 1 A 51 51 ASP CA C 51 54.200 55.652 -1.452 1 1 496 . 15 1 1 A 51 51 ASP CB C 51 41.900 41.279 0.621 1 1 497 . 15 1 1 A 51 51 ASP N N 51 114.800 116.552 -1.752 1 1 498 . 15 1 1 A 52 52 ILE H H 52 7.290 7.205 0.085 1 1 499 . 15 1 1 A 52 52 ILE HA H 52 3.100 3.868 -0.768 1 1 509 . 15 1 1 A 52 52 ILE C C 52 174.800 175.517 -0.717 1 1 510 . 15 1 1 A 52 52 ILE CA C 52 65.100 62.573 2.527 1 1 511 . 15 1 1 A 52 52 ILE CB C 52 37.100 37.749 -0.649 1 1 515 . 15 1 1 A 52 52 ILE N N 52 117.700 121.317 -3.617 1 1 516 . 15 1 1 A 53 53 THR H H 53 6.560 8.258 -1.698 1 1 517 . 15 1 1 A 53 53 THR HA H 53 4.720 4.958 -0.238 1 1 522 . 15 1 1 A 53 53 THR C C 53 174.600 175.557 -0.957 1 1 523 . 15 1 1 A 53 53 THR CA C 53 58.500 59.452 -0.952 1 1 524 . 15 1 1 A 53 53 THR CB C 53 72.900 72.401 0.499 1 1 526 . 15 1 1 A 53 53 THR N N 53 117.300 118.110 -0.810 1 1 527 . 15 1 1 A 54 54 ALA H H 54 9.340 9.086 0.254 1 1 528 . 15 1 1 A 54 54 ALA HA H 54 4.460 4.330 0.130 1 1 532 . 15 1 1 A 54 54 ALA C C 54 167.400 179.839 -12.439 1 1 533 . 15 1 1 A 54 54 ALA CA C 54 55.800 55.714 0.086 1 1 534 . 15 1 1 A 54 54 ALA CB C 54 18.200 18.098 0.102 1 1 535 . 15 1 1 A 54 54 ALA N N 54 123.800 124.806 -1.006 1 1 536 . 15 1 1 A 55 55 SER H H 55 8.530 8.154 0.376 1 1 537 . 15 1 1 A 55 55 SER HA H 55 4.280 4.142 0.138 1 1 541 . 15 1 1 A 55 55 SER C C 55 177.700 176.226 1.474 1 1 542 . 15 1 1 A 55 55 SER CA C 55 61.600 62.186 -0.586 1 1 543 . 15 1 1 A 55 55 SER CB C 55 62.600 63.000 -0.400 1 1 544 . 15 1 1 A 55 55 SER N N 55 112.600 113.634 -1.034 1 1 545 . 15 1 1 A 56 56 LEU H H 56 7.810 7.844 -0.034 1 1 546 . 15 1 1 A 56 56 LEU HA H 56 4.280 4.186 0.094 1 1 556 . 15 1 1 A 56 56 LEU C C 56 168.100 180.133 -12.033 1 1 557 . 15 1 1 A 56 56 LEU CA C 56 57.900 57.659 0.241 1 1 558 . 15 1 1 A 56 56 LEU CB C 56 42.100 41.425 0.675 1 1 562 . 15 1 1 A 56 56 LEU N N 56 122.500 120.588 1.912 1 1 563 . 15 1 1 A 57 57 LEU H H 57 8.490 8.277 0.213 1 1 564 . 15 1 1 A 57 57 LEU HA H 57 4.180 4.162 0.018 1 1 574 . 15 1 1 A 57 57 LEU C C 57 178.000 179.125 -1.125 1 1 575 . 15 1 1 A 57 57 LEU CA C 57 58.300 57.586 0.714 1 1 576 . 15 1 1 A 57 57 LEU CB C 57 41.200 41.246 -0.046 1 1 580 . 15 1 1 A 57 57 LEU N N 57 123.900 120.842 3.058 1 1 581 . 15 1 1 A 58 58 GLN H H 58 8.500 8.368 0.132 1 1 582 . 15 1 1 A 58 58 GLN HA H 58 3.680 4.005 -0.325 1 1 589 . 15 1 1 A 58 58 GLN C C 58 178.200 179.084 -0.884 1 1 590 . 15 1 1 A 58 58 GLN CA C 58 60.200 59.293 0.907 1 1 591 . 15 1 1 A 58 58 GLN CB C 58 28.500 28.491 0.009 1 1 593 . 15 1 1 A 58 58 GLN N N 58 118.800 119.203 -0.403 1 1 595 . 15 1 1 A 59 59 GLN H H 59 8.300 7.856 0.444 1 1 596 . 15 1 1 A 59 59 GLN HA H 59 4.090 4.100 -0.010 1 1 601 . 15 1 1 A 59 59 GLN C C 59 179.900 178.878 1.022 1 1 602 . 15 1 1 A 59 59 GLN CA C 59 58.900 58.769 0.131 1 1 603 . 15 1 1 A 59 59 GLN CB C 59 28.800 28.527 0.273 1 1 605 . 15 1 1 A 59 59 GLN N N 59 118.600 118.773 -0.173 1 1 606 . 15 1 1 A 60 60 ALA H H 60 7.850 8.350 -0.500 1 1 607 . 15 1 1 A 60 60 ALA HA H 60 3.580 3.729 -0.149 1 1 611 . 15 1 1 A 60 60 ALA C C 60 176.700 179.463 -2.763 1 1 612 . 15 1 1 A 60 60 ALA CA C 60 54.700 54.533 0.167 1 1 613 . 15 1 1 A 60 60 ALA CB C 60 17.400 17.841 -0.441 1 1 614 . 15 1 1 A 60 60 ALA N N 60 122.500 122.099 0.401 1 1 615 . 15 1 1 A 61 61 ALA H H 61 7.540 7.482 0.058 1 1 616 . 15 1 1 A 61 61 ALA HA H 61 3.970 4.271 -0.301 1 1 620 . 15 1 1 A 61 61 ALA C C 61 176.300 177.615 -1.315 1 1 621 . 15 1 1 A 61 61 ALA CA C 61 52.400 51.922 0.478 1 1 622 . 15 1 1 A 61 61 ALA CB C 61 19.100 19.310 -0.210 1 1 623 . 15 1 1 A 61 61 ALA N N 61 113.700 117.817 -4.117 1 1 624 . 15 1 1 A 62 62 GLY H H 62 7.600 7.792 -0.192 1 1 625 . 15 1 1 A 62 62 GLY HA2 H 62 3.890 3.917 -0.027 1 1 626 . 15 1 1 A 62 62 GLY HA3 H 62 3.980 3.922 0.058 1 1 627 . 15 1 1 A 62 62 GLY C C 62 175.400 175.237 0.163 1 1 628 . 15 1 1 A 62 62 GLY CA C 62 45.800 46.008 -0.208 1 1 629 . 15 1 1 A 62 62 GLY N N 62 104.800 106.619 -1.819 1 1 630 . 15 1 1 A 63 63 LEU H H 63 7.770 7.892 -0.122 1 1 631 . 15 1 1 A 63 63 LEU HA H 63 4.430 4.252 0.178 1 1 640 . 15 1 1 A 63 63 LEU C C 63 176.400 177.694 -1.294 1 1 641 . 15 1 1 A 63 63 LEU CA C 63 54.000 56.257 -2.257 1 1 642 . 15 1 1 A 63 63 LEU CB C 63 42.500 41.511 0.989 1 1 645 . 15 1 1 A 63 63 LEU N N 63 119.100 120.864 -1.764 1 1 646 . 15 1 1 A 64 64 ALA H H 64 8.060 7.616 0.444 1 1 647 . 15 1 1 A 64 64 ALA HA H 64 4.160 4.383 -0.223 1 1 651 . 15 1 1 A 64 64 ALA C C 64 177.300 176.516 0.784 1 1 652 . 15 1 1 A 64 64 ALA CA C 64 52.700 52.187 0.513 1 1 653 . 15 1 1 A 64 64 ALA CB C 64 19.700 19.629 0.071 1 1 654 . 15 1 1 A 64 64 ALA N N 64 122.900 120.493 2.407 1 1 655 . 15 1 1 A 65 65 GLU H H 65 8.260 7.670 0.590 1 1 656 . 15 1 1 A 65 65 GLU C C 65 176.300 175.021 1.279 1 1 657 . 15 1 1 A 65 65 GLU CA C 65 56.400 54.627 1.773 1 1 658 . 15 1 1 A 65 65 GLU CB C 65 30.100 33.281 -3.181 1 1 659 . 15 1 1 A 65 65 GLU N N 65 118.900 119.181 -0.281 1 1 660 . 15 1 1 A 66 66 VAL H H 66 7.960 9.071 -1.111 1 1 661 . 15 1 1 A 66 66 VAL HA H 66 4.020 4.379 -0.359 1 1 663 . 15 1 1 A 66 66 VAL C C 66 175.900 175.706 0.194 1 1 664 . 15 1 1 A 66 66 VAL CA C 66 62.300 62.015 0.285 1 1 665 . 15 1 1 A 66 66 VAL CB C 66 32.800 32.842 -0.042 1 1 666 . 15 1 1 A 66 66 VAL N N 66 121.500 124.783 -3.283 1 1 667 . 15 1 1 A 67 67 VAL H H 67 8.210 8.532 -0.322 1 1 668 . 15 1 1 A 67 67 VAL C C 67 175.800 176.807 -1.007 1 1 669 . 15 1 1 A 67 67 VAL CA C 67 62.200 66.735 -4.535 1 1 670 . 15 1 1 A 67 67 VAL CB C 67 32.600 31.570 1.030 1 1 671 . 15 1 1 A 67 67 VAL N N 67 124.900 128.497 -3.597 1 1 672 . 15 1 1 A 68 68 ARG H H 68 8.380 7.838 0.542 1 1 673 . 15 1 1 A 68 68 ARG HA H 68 4.270 4.701 -0.431 1 1 674 . 15 1 1 A 68 68 ARG C C 68 175.400 175.800 -0.400 1 1 675 . 15 1 1 A 68 68 ARG CA C 68 55.700 55.248 0.452 1 1 676 . 15 1 1 A 68 68 ARG CB C 68 31.100 28.434 2.666 1 1 677 . 15 1 1 A 68 68 ARG N N 68 125.900 119.087 6.813 1 1 678 . 15 1 1 A 69 69 ASP H H 69 8.390 8.030 0.360 1 1 679 . 15 1 1 A 69 69 ASP HA H 69 4.800 4.531 0.269 1 1 682 . 15 1 1 A 69 69 ASP CA C 69 51.700 59.120 -7.420 1 1 683 . 15 1 1 A 69 69 ASP CB C 69 41.700 39.599 2.101 1 1 684 . 15 1 1 A 69 69 ASP N N 69 123.600 121.404 2.196 1 1 685 . 15 1 1 A 70 70 PRO HA H 70 4.290 4.388 -0.098 1 1 688 . 15 1 1 A 70 70 PRO C C 70 177.500 176.859 0.641 1 1 689 . 15 1 1 A 70 70 PRO CA C 70 64.100 62.767 1.333 1 1 690 . 15 1 1 A 70 70 PRO CB C 70 32.300 32.038 0.262 1 1 691 . 15 1 1 A 71 71 LEU H H 71 8.280 8.499 -0.219 1 1 692 . 15 1 1 A 71 71 LEU HA H 71 4.260 3.677 0.583 1 1 698 . 15 1 1 A 71 71 LEU C C 71 177.600 176.888 0.712 1 1 699 . 15 1 1 A 71 71 LEU CA C 71 55.100 55.504 -0.404 1 1 700 . 15 1 1 A 71 71 LEU CB C 71 41.200 41.689 -0.489 1 1 702 . 15 1 1 A 71 71 LEU N N 71 118.400 120.587 -2.187 1 1 703 . 15 1 1 A 72 72 ALA H H 72 7.660 7.302 0.358 1 1 704 . 15 1 1 A 72 72 ALA HA H 72 4.170 4.275 -0.105 1 1 708 . 15 1 1 A 72 72 ALA C C 72 177.400 177.604 -0.204 1 1 709 . 15 1 1 A 72 72 ALA CA C 72 52.600 51.064 1.536 1 1 710 . 15 1 1 A 72 72 ALA CB C 72 19.200 17.831 1.369 1 1 711 . 15 1 1 A 72 72 ALA N N 72 122.900 122.552 0.348 1 1 712 . 15 1 1 A 73 73 PHE H H 73 7.940 7.801 0.139 1 1 713 . 15 1 1 A 73 73 PHE HA H 73 4.510 4.347 0.163 1 1 717 . 15 1 1 A 73 73 PHE C C 73 175.600 177.683 -2.083 1 1 718 . 15 1 1 A 73 73 PHE CA C 73 57.800 60.173 -2.373 1 1 719 . 15 1 1 A 73 73 PHE CB C 73 39.100 37.955 1.145 1 1 720 . 15 1 1 A 73 73 PHE N N 73 118.200 120.954 -2.754 1 1 721 . 15 1 1 A 74 74 LEU H H 74 7.890 8.124 -0.234 1 1 722 . 15 1 1 A 74 74 LEU CA C 74 55.200 57.319 -2.119 1 1 723 . 15 1 1 A 74 74 LEU CB C 74 42.400 41.348 1.052 1 1 724 . 15 1 1 A 74 74 LEU N N 74 122.600 120.979 1.621 1 1 725 . 15 1 1 A 78 78 GLU C C 78 176.600 176.818 -0.218 1 1 726 . 15 1 1 A 78 78 GLU CA C 78 57.500 55.891 1.609 1 1 727 . 15 1 1 A 78 78 GLU CB C 78 30.100 31.842 -1.742 1 1 728 . 15 1 1 A 79 79 ALA H H 79 8.460 8.646 -0.186 1 1 729 . 15 1 1 A 79 79 ALA C C 79 178.300 177.880 0.420 1 1 730 . 15 1 1 A 79 79 ALA CA C 79 52.900 52.830 0.070 1 1 731 . 15 1 1 A 79 79 ALA CB C 79 19.200 19.616 -0.416 1 1 732 . 15 1 1 A 79 79 ALA N N 79 124.700 128.269 -3.569 1 1 733 . 15 1 1 A 80 80 GLY H H 80 8.330 8.349 -0.019 1 1 734 . 15 1 1 A 80 80 GLY C C 80 174.100 175.027 -0.927 1 1 735 . 15 1 1 A 80 80 GLY CA C 80 45.100 45.304 -0.204 1 1 736 . 15 1 1 A 80 80 GLY N N 80 108.200 106.105 2.095 1 1 737 . 15 1 1 A 81 81 ALA H H 81 8.140 7.818 0.322 1 1 738 . 15 1 1 A 81 81 ALA HA H 81 4.170 4.270 -0.100 1 1 739 . 15 1 1 A 81 81 ALA C C 81 178.400 177.571 0.829 1 1 740 . 15 1 1 A 81 81 ALA CA C 81 52.800 52.608 0.192 1 1 741 . 15 1 1 A 81 81 ALA CB C 81 19.200 19.638 -0.438 1 1 742 . 15 1 1 A 81 81 ALA N N 81 123.600 121.873 1.727 1 1 743 . 15 1 1 A 82 82 GLY H H 82 8.400 7.965 0.435 1 1 744 . 15 1 1 A 82 82 GLY HA2 H 82 3.860 4.044 -0.184 1 1 745 . 15 1 1 A 82 82 GLY HA3 H 82 2.880 4.047 -1.167 1 1 746 . 15 1 1 A 82 82 GLY C C 82 173.600 174.624 -1.024 1 1 747 . 15 1 1 A 82 82 GLY CA C 82 45.200 45.449 -0.249 1 1 748 . 15 1 1 A 82 82 GLY N N 82 108.000 106.335 1.665 1 1 749 . 15 1 1 A 83 83 ALA H H 83 7.980 8.675 -0.695 1 1 750 . 15 1 1 A 83 83 ALA HA H 83 4.280 4.305 -0.025 1 1 754 . 15 1 1 A 83 83 ALA C C 83 177.200 177.373 -0.173 1 1 755 . 15 1 1 A 83 83 ALA CA C 83 52.100 52.979 -0.879 1 1 756 . 15 1 1 A 83 83 ALA CB C 83 19.500 19.383 0.117 1 1 757 . 15 1 1 A 83 83 ALA N N 83 123.300 127.119 -3.819 1 1 758 . 15 1 1 A 84 84 ARG H H 84 8.240 7.481 0.759 1 1 759 . 15 1 1 A 84 84 ARG HA H 84 4.610 4.622 -0.012 1 1 762 . 15 1 1 A 84 84 ARG CA C 84 54.000 52.362 1.638 1 1 763 . 15 1 1 A 84 84 ARG CB C 84 30.500 31.315 -0.815 1 1 764 . 15 1 1 A 84 84 ARG N N 84 121.700 118.383 3.317 1 1 765 . 15 1 1 A 85 85 PRO HA H 85 4.390 4.335 0.055 1 1 770 . 15 1 1 A 85 85 PRO C C 85 177.000 177.294 -0.294 1 1 771 . 15 1 1 A 85 85 PRO CA C 85 62.900 64.477 -1.577 1 1 772 . 15 1 1 A 85 85 PRO CB C 85 32.200 31.792 0.408 1 1 773 . 15 1 1 A 86 86 ALA H H 86 8.600 7.560 1.040 1 1 774 . 15 1 1 A 86 86 ALA HA H 86 4.150 4.299 -0.149 1 1 778 . 15 1 1 A 86 86 ALA C C 86 177.800 176.669 1.131 1 1 779 . 15 1 1 A 86 86 ALA CA C 86 53.400 52.243 1.157 1 1 780 . 15 1 1 A 86 86 ALA CB C 86 18.900 19.457 -0.557 1 1 781 . 15 1 1 A 86 86 ALA N N 86 124.900 117.634 7.266 1 1 782 . 15 1 1 A 87 87 ASN H H 87 8.380 8.192 0.188 1 1 783 . 15 1 1 A 87 87 ASN HA H 87 4.590 4.305 0.285 1 1 786 . 15 1 1 A 87 87 ASN C C 87 174.400 174.668 -0.268 1 1 787 . 15 1 1 A 87 87 ASN CA C 87 52.600 54.538 -1.938 1 1 788 . 15 1 1 A 87 87 ASN CB C 87 38.300 36.672 1.628 1 1 789 . 15 1 1 A 87 87 ASN N N 87 114.900 113.934 0.966 1 1 790 . 15 1 1 A 88 88 ALA H H 88 7.800 7.705 0.095 1 1 791 . 15 1 1 A 88 88 ALA HA H 88 4.400 4.410 -0.010 1 1 795 . 15 1 1 A 88 88 ALA CA C 88 50.400 50.794 -0.394 1 1 796 . 15 1 1 A 88 88 ALA CB C 88 17.900 18.802 -0.902 1 1 797 . 15 1 1 A 88 88 ALA N N 88 123.600 120.338 3.262 1 1 798 . 15 1 1 A 89 89 PRO HA H 89 4.390 4.654 -0.264 1 1 805 . 15 1 1 A 89 89 PRO C C 89 175.000 177.258 -2.258 1 1 806 . 15 1 1 A 89 89 PRO CA C 89 62.400 62.577 -0.177 1 1 807 . 15 1 1 A 89 89 PRO CB C 89 31.700 32.644 -0.944 1 1 810 . 15 1 1 A 90 90 GLU H H 90 9.000 8.730 0.270 1 1 811 . 15 1 1 A 90 90 GLU HA H 90 4.310 4.198 0.112 1 1 814 . 15 1 1 A 90 90 GLU C C 90 177.300 176.267 1.033 1 1 815 . 15 1 1 A 90 90 GLU CA C 90 58.000 59.529 -1.529 1 1 816 . 15 1 1 A 90 90 GLU CB C 90 31.400 31.328 0.072 1 1 817 . 15 1 1 A 90 90 GLU N N 90 117.700 120.258 -2.558 1 1 818 . 15 1 1 A 91 91 VAL H H 91 7.310 7.536 -0.226 1 1 819 . 15 1 1 A 91 91 VAL HA H 91 4.570 4.851 -0.281 1 1 827 . 15 1 1 A 91 91 VAL C C 91 171.000 173.473 -2.473 1 1 828 . 15 1 1 A 91 91 VAL CA C 91 59.700 59.726 -0.026 1 1 829 . 15 1 1 A 91 91 VAL CB C 91 35.600 35.500 0.100 1 1 832 . 15 1 1 A 91 91 VAL N N 91 115.900 116.904 -1.004 1 1 833 . 15 1 1 A 92 92 LEU H H 92 8.700 9.568 -0.868 1 1 834 . 15 1 1 A 92 92 LEU HA H 92 4.950 5.307 -0.357 1 1 844 . 15 1 1 A 92 92 LEU C C 92 174.300 174.471 -0.171 1 1 845 . 15 1 1 A 92 92 LEU CA C 92 52.700 53.292 -0.592 1 1 846 . 15 1 1 A 92 92 LEU CB C 92 44.100 45.444 -1.344 1 1 850 . 15 1 1 A 92 92 LEU N N 92 128.500 129.615 -1.115 1 1 851 . 15 1 1 A 93 93 LEU H H 93 8.770 9.516 -0.746 1 1 852 . 15 1 1 A 93 93 LEU HA H 93 4.910 5.252 -0.342 1 1 862 . 15 1 1 A 93 93 LEU C C 93 174.900 175.178 -0.278 1 1 863 . 15 1 1 A 93 93 LEU CA C 93 52.600 53.222 -0.622 1 1 864 . 15 1 1 A 93 93 LEU CB C 93 44.300 42.574 1.726 1 1 868 . 15 1 1 A 93 93 LEU N N 93 127.300 128.617 -1.317 1 1 869 . 15 1 1 A 94 94 VAL H H 94 8.800 9.248 -0.448 1 1 870 . 15 1 1 A 94 94 VAL HA H 94 4.880 4.544 0.336 1 1 878 . 15 1 1 A 94 94 VAL C C 94 175.000 175.145 -0.145 1 1 879 . 15 1 1 A 94 94 VAL CA C 94 60.000 61.003 -1.003 1 1 880 . 15 1 1 A 94 94 VAL CB C 94 33.900 33.168 0.732 1 1 883 . 15 1 1 A 94 94 VAL N N 94 122.000 126.323 -4.323 1 1 884 . 15 1 1 A 95 95 GLY H H 95 9.730 9.525 0.205 1 1 885 . 15 1 1 A 95 95 GLY HA2 H 95 3.240 4.086 -0.846 1 1 886 . 15 1 1 A 95 95 GLY HA3 H 95 4.940 4.087 0.853 1 1 887 . 15 1 1 A 95 95 GLY C C 95 175.000 172.730 2.270 1 1 888 . 15 1 1 A 95 95 GLY CA C 95 45.500 45.270 0.230 1 1 889 . 15 1 1 A 95 95 GLY N N 95 114.000 115.525 -1.525 1 1 890 . 15 1 1 A 96 96 THR H H 96 9.320 9.378 -0.058 1 1 891 . 15 1 1 A 96 96 THR HA H 96 4.210 4.856 -0.646 1 1 896 . 15 1 1 A 96 96 THR C C 96 173.000 174.362 -1.362 1 1 897 . 15 1 1 A 96 96 THR CA C 96 61.800 60.747 1.053 1 1 898 . 15 1 1 A 96 96 THR CB C 96 67.600 70.070 -2.470 1 1 900 . 15 1 1 A 96 96 THR N N 96 113.800 121.115 -7.315 1 1 901 . 15 1 1 A 97 97 GLY H H 97 8.600 8.817 -0.217 1 1 902 . 15 1 1 A 97 97 GLY HA2 H 97 3.580 4.009 -0.429 1 1 903 . 15 1 1 A 97 97 GLY HA3 H 97 4.500 4.024 0.476 1 1 904 . 15 1 1 A 97 97 GLY C C 97 174.800 175.025 -0.225 1 1 905 . 15 1 1 A 97 97 GLY CA C 97 44.000 45.541 -1.541 1 1 906 . 15 1 1 A 97 97 GLY N N 97 110.900 115.308 -4.408 1 1 907 . 15 1 1 A 98 98 ARG H H 98 9.400 7.861 1.539 1 1 908 . 15 1 1 A 98 98 ARG HA H 98 4.110 4.227 -0.117 1 1 911 . 15 1 1 A 98 98 ARG C C 98 175.700 176.082 -0.382 1 1 912 . 15 1 1 A 98 98 ARG CA C 98 58.800 57.882 0.918 1 1 913 . 15 1 1 A 98 98 ARG CB C 98 30.700 31.300 -0.600 1 1 914 . 15 1 1 A 98 98 ARG N N 98 125.500 120.922 4.578 1 1 915 . 15 1 1 A 99 99 ARG H H 99 8.180 7.687 0.493 1 1 916 . 15 1 1 A 99 99 ARG HA H 99 4.640 4.631 0.009 1 1 919 . 15 1 1 A 99 99 ARG C C 99 175.000 174.441 0.559 1 1 920 . 15 1 1 A 99 99 ARG CA C 99 53.100 55.455 -2.355 1 1 921 . 15 1 1 A 99 99 ARG CB C 99 33.200 31.873 1.327 1 1 922 . 15 1 1 A 99 99 ARG N N 99 114.300 119.084 -4.784 1 1 923 . 15 1 1 A 100 100 GLN H H 100 8.710 8.573 0.137 1 1 924 . 15 1 1 A 100 100 GLN HA H 100 3.620 4.600 -0.980 1 1 929 . 15 1 1 A 100 100 GLN C C 100 173.900 175.152 -1.252 1 1 930 . 15 1 1 A 100 100 GLN CA C 100 56.400 55.729 0.671 1 1 931 . 15 1 1 A 100 100 GLN CB C 100 29.600 29.380 0.220 1 1 933 . 15 1 1 A 100 100 GLN N N 100 121.700 126.162 -4.462 1 1 934 . 15 1 1 A 101 101 HIS H H 101 7.900 8.853 -0.953 1 1 935 . 15 1 1 A 101 101 HIS HA H 101 4.530 5.287 -0.757 1 1 939 . 15 1 1 A 101 101 HIS C C 101 173.100 174.086 -0.986 1 1 940 . 15 1 1 A 101 101 HIS CA C 101 55.100 54.002 1.098 1 1 941 . 15 1 1 A 101 101 HIS CB C 101 32.100 31.862 0.238 1 1 942 . 15 1 1 A 101 101 HIS N N 101 130.600 125.072 5.528 1 1 943 . 15 1 1 A 102 102 LEU H H 102 8.080 8.550 -0.470 1 1 944 . 15 1 1 A 102 102 LEU HA H 102 4.060 4.366 -0.306 1 1 948 . 15 1 1 A 102 102 LEU C C 102 177.200 176.291 0.909 1 1 949 . 15 1 1 A 102 102 LEU CA C 102 54.900 54.598 0.302 1 1 950 . 15 1 1 A 102 102 LEU CB C 102 41.600 42.161 -0.561 1 1 951 . 15 1 1 A 102 102 LEU N N 102 121.400 127.588 -6.188 1 1 952 . 15 1 1 A 103 103 LEU H H 103 8.260 8.751 -0.491 1 1 953 . 15 1 1 A 103 103 LEU HA H 103 4.490 4.917 -0.427 1 1 963 . 15 1 1 A 103 103 LEU C C 103 177.100 176.398 0.702 1 1 964 . 15 1 1 A 103 103 LEU CA C 103 53.400 53.549 -0.149 1 1 965 . 15 1 1 A 103 103 LEU CB C 103 42.600 43.254 -0.654 1 1 969 . 15 1 1 A 103 103 LEU N N 103 123.000 124.828 -1.828 1 1 970 . 15 1 1 A 104 104 GLY H H 104 8.820 8.428 0.392 1 1 971 . 15 1 1 A 104 104 GLY HA2 H 104 3.930 4.195 -0.265 1 1 972 . 15 1 1 A 104 104 GLY HA3 H 104 4.440 4.204 0.236 1 1 973 . 15 1 1 A 104 104 GLY CA C 104 44.500 43.602 0.898 1 1 974 . 15 1 1 A 104 104 GLY N N 104 110.200 110.230 -0.030 1 1 975 . 15 1 1 A 105 105 PRO HA H 105 4.230 4.259 -0.029 1 1 978 . 15 1 1 A 105 105 PRO C C 105 178.900 177.822 1.078 1 1 979 . 15 1 1 A 105 105 PRO CA C 105 65.200 65.435 -0.235 1 1 980 . 15 1 1 A 105 105 PRO CB C 105 31.900 31.863 0.037 1 1 981 . 15 1 1 A 106 106 GLU H H 106 9.150 8.391 0.759 1 1 982 . 15 1 1 A 106 106 GLU HA H 106 4.080 4.101 -0.021 1 1 987 . 15 1 1 A 106 106 GLU C C 106 178.500 179.040 -0.540 1 1 988 . 15 1 1 A 106 106 GLU CA C 106 58.600 59.651 -1.051 1 1 989 . 15 1 1 A 106 106 GLU CB C 106 28.500 29.180 -0.680 1 1 991 . 15 1 1 A 106 106 GLU N N 106 115.400 118.029 -2.629 1 1 992 . 15 1 1 A 107 107 GLN H H 107 7.680 7.829 -0.149 1 1 993 . 15 1 1 A 107 107 GLN HA H 107 4.160 4.222 -0.062 1 1 998 . 15 1 1 A 107 107 GLN C C 107 175.200 177.216 -2.016 1 1 999 . 15 1 1 A 107 107 GLN CA C 107 58.500 57.847 0.653 1 1 1000 . 15 1 1 A 107 107 GLN CB C 107 29.400 28.891 0.509 1 1 1002 . 15 1 1 A 107 107 GLN N N 107 116.100 118.408 -2.308 1 1 1003 . 15 1 1 A 108 108 VAL H H 108 7.080 7.335 -0.255 1 1 1004 . 15 1 1 A 108 108 VAL HA H 108 4.270 4.597 -0.327 1 1 1012 . 15 1 1 A 108 108 VAL C C 108 177.500 176.777 0.723 1 1 1013 . 15 1 1 A 108 108 VAL CA C 108 62.000 60.952 1.048 1 1 1014 . 15 1 1 A 108 108 VAL CB C 108 33.000 31.843 1.157 1 1 1017 . 15 1 1 A 108 108 VAL N N 108 104.800 111.375 -6.575 1 1 1018 . 15 1 1 A 109 109 ARG H H 109 8.220 7.702 0.518 1 1 1019 . 15 1 1 A 109 109 ARG HA H 109 4.060 4.101 -0.041 1 1 1024 . 15 1 1 A 109 109 ARG CA C 109 61.700 61.191 0.509 1 1 1025 . 15 1 1 A 109 109 ARG CB C 109 27.600 29.008 -1.408 1 1 1027 . 15 1 1 A 109 109 ARG N N 109 123.100 123.828 -0.728 1 1 1028 . 15 1 1 A 110 110 PRO HA H 110 4.290 4.431 -0.141 1 1 1035 . 15 1 1 A 110 110 PRO C C 110 173.000 178.846 -5.846 1 1 1036 . 15 1 1 A 110 110 PRO CA C 110 65.800 64.584 1.216 1 1 1037 . 15 1 1 A 110 110 PRO CB C 110 31.400 31.415 -0.015 1 1 1040 . 15 1 1 A 111 111 LEU H H 111 7.080 7.598 -0.518 1 1 1041 . 15 1 1 A 111 111 LEU HA H 111 4.050 4.030 0.020 1 1 1051 . 15 1 1 A 111 111 LEU C C 111 178.800 179.242 -0.442 1 1 1052 . 15 1 1 A 111 111 LEU CA C 111 57.400 57.632 -0.232 1 1 1053 . 15 1 1 A 111 111 LEU CB C 111 40.100 41.844 -1.744 1 1 1056 . 15 1 1 A 111 111 LEU N N 111 117.700 117.709 -0.009 1 1 1057 . 15 1 1 A 112 112 LEU H H 112 7.950 8.747 -0.797 1 1 1058 . 15 1 1 A 112 112 LEU HA H 112 4.050 3.955 0.095 1 1 1068 . 15 1 1 A 112 112 LEU C C 112 169.000 179.668 -10.668 1 1 1069 . 15 1 1 A 112 112 LEU CA C 112 58.000 57.851 0.149 1 1 1070 . 15 1 1 A 112 112 LEU CB C 112 41.100 40.705 0.395 1 1 1074 . 15 1 1 A 112 112 LEU N N 112 121.700 119.115 2.585 1 1 1075 . 15 1 1 A 113 113 ALA H H 113 8.230 7.505 0.725 1 1 1076 . 15 1 1 A 113 113 ALA HA H 113 4.110 4.118 -0.008 1 1 1080 . 15 1 1 A 113 113 ALA C C 113 178.700 178.453 0.247 1 1 1081 . 15 1 1 A 113 113 ALA CA C 113 54.400 54.371 0.029 1 1 1082 . 15 1 1 A 113 113 ALA CB C 113 18.100 18.296 -0.196 1 1 1083 . 15 1 1 A 113 113 ALA N N 113 120.900 122.624 -1.724 1 1 1084 . 15 1 1 A 114 114 MET H H 114 7.270 7.771 -0.501 1 1 1085 . 15 1 1 A 114 114 MET HA H 114 4.490 4.438 0.052 1 1 1093 . 15 1 1 A 114 114 MET C C 114 175.100 176.679 -1.579 1 1 1094 . 15 1 1 A 114 114 MET CA C 114 55.100 55.912 -0.812 1 1 1095 . 15 1 1 A 114 114 MET CB C 114 33.700 33.660 0.040 1 1 1098 . 15 1 1 A 114 114 MET N N 114 115.100 115.647 -0.547 1 1 1099 . 15 1 1 A 115 115 GLY H H 115 7.830 7.900 -0.070 1 1 1100 . 15 1 1 A 115 115 GLY HA2 H 115 3.660 3.952 -0.292 1 1 1101 . 15 1 1 A 115 115 GLY HA3 H 115 4.060 3.953 0.107 1 1 1102 . 15 1 1 A 115 115 GLY C C 115 173.700 174.484 -0.784 1 1 1103 . 15 1 1 A 115 115 GLY CA C 115 45.600 44.995 0.605 1 1 1104 . 15 1 1 A 115 115 GLY N N 115 106.300 106.088 0.212 1 1 1105 . 15 1 1 A 116 116 VAL H H 116 7.710 7.377 0.333 1 1 1106 . 15 1 1 A 116 116 VAL HA H 116 3.820 4.053 -0.233 1 1 1114 . 15 1 1 A 116 116 VAL C C 116 174.800 175.781 -0.981 1 1 1115 . 15 1 1 A 116 116 VAL CA C 116 61.200 62.858 -1.658 1 1 1116 . 15 1 1 A 116 116 VAL CB C 116 32.800 31.720 1.080 1 1 1119 . 15 1 1 A 116 116 VAL N N 116 123.600 121.811 1.789 1 1 1120 . 15 1 1 A 117 117 GLY H H 117 7.730 9.186 -1.456 1 1 1121 . 15 1 1 A 117 117 GLY HA2 H 117 3.570 4.117 -0.547 1 1 1122 . 15 1 1 A 117 117 GLY HA3 H 117 4.040 4.119 -0.079 1 1 1123 . 15 1 1 A 117 117 GLY C C 117 172.600 172.895 -0.295 1 1 1124 . 15 1 1 A 117 117 GLY CA C 117 45.500 44.944 0.556 1 1 1125 . 15 1 1 A 117 117 GLY N N 117 111.400 115.462 -4.062 1 1 1126 . 15 1 1 A 118 118 VAL H H 118 7.740 9.290 -1.550 1 1 1127 . 15 1 1 A 118 118 VAL HA H 118 5.100 4.722 0.378 1 1 1135 . 15 1 1 A 118 118 VAL C C 118 175.500 175.185 0.315 1 1 1136 . 15 1 1 A 118 118 VAL CA C 118 61.000 61.812 -0.812 1 1 1137 . 15 1 1 A 118 118 VAL CB C 118 34.300 32.221 2.079 1 1 1140 . 15 1 1 A 118 118 VAL N N 118 120.900 126.476 -5.576 1 1 1141 . 15 1 1 A 119 119 GLU H H 119 8.490 9.355 -0.865 1 1 1142 . 15 1 1 A 119 119 GLU HA H 119 4.630 4.879 -0.249 1 1 1147 . 15 1 1 A 119 119 GLU C C 119 173.500 175.263 -1.763 1 1 1148 . 15 1 1 A 119 119 GLU CA C 119 54.600 54.927 -0.327 1 1 1149 . 15 1 1 A 119 119 GLU CB C 119 32.300 31.478 0.822 1 1 1151 . 15 1 1 A 119 119 GLU N N 119 127.000 127.268 -0.268 1 1 1152 . 15 1 1 A 120 120 ALA H H 120 8.600 8.993 -0.393 1 1 1153 . 15 1 1 A 120 120 ALA HA H 120 5.530 5.021 0.509 1 1 1157 . 15 1 1 A 120 120 ALA C C 120 177.100 176.718 0.382 1 1 1158 . 15 1 1 A 120 120 ALA CA C 120 50.300 50.842 -0.542 1 1 1159 . 15 1 1 A 120 120 ALA CB C 120 20.800 20.337 0.463 1 1 1160 . 15 1 1 A 120 120 ALA N N 120 126.500 128.782 -2.282 1 1 1161 . 15 1 1 A 121 121 MET H H 121 9.430 9.166 0.264 1 1 1162 . 15 1 1 A 121 121 MET HA H 121 4.630 5.023 -0.393 1 1 1170 . 15 1 1 A 121 121 MET C C 121 173.300 175.276 -1.976 1 1 1171 . 15 1 1 A 121 121 MET CA C 121 54.600 54.031 0.569 1 1 1172 . 15 1 1 A 121 121 MET CB C 121 36.800 37.179 -0.379 1 1 1175 . 15 1 1 A 121 121 MET N N 121 120.400 121.390 -0.990 1 1 1176 . 15 1 1 A 122 122 ASP H H 122 8.460 8.775 -0.315 1 1 1177 . 15 1 1 A 122 122 ASP HA H 122 4.170 4.704 -0.534 1 1 1180 . 15 1 1 A 122 122 ASP C C 122 175.200 177.757 -2.557 1 1 1181 . 15 1 1 A 122 122 ASP CA C 122 55.000 54.573 0.427 1 1 1182 . 15 1 1 A 122 122 ASP CB C 122 41.000 41.757 -0.757 1 1 1183 . 15 1 1 A 122 122 ASP N N 122 116.700 120.518 -3.818 1 1 1184 . 15 1 1 A 123 123 THR H H 123 9.580 8.989 0.591 1 1 1185 . 15 1 1 A 123 123 THR HA H 123 3.670 3.967 -0.297 1 1 1191 . 15 1 1 A 123 123 THR C C 123 174.400 176.801 -2.401 1 1 1192 . 15 1 1 A 123 123 THR CA C 123 68.700 66.145 2.555 1 1 1193 . 15 1 1 A 123 123 THR CB C 123 68.800 68.382 0.418 1 1 1195 . 15 1 1 A 123 123 THR N N 123 119.600 117.692 1.908 1 1 1196 . 15 1 1 A 124 124 GLN H H 124 8.580 7.972 0.608 1 1 1197 . 15 1 1 A 124 124 GLN HA H 124 3.240 3.848 -0.608 1 1 1202 . 15 1 1 A 124 124 GLN C C 124 177.700 177.866 -0.166 1 1 1203 . 15 1 1 A 124 124 GLN CA C 124 60.100 58.275 1.825 1 1 1204 . 15 1 1 A 124 124 GLN CB C 124 27.400 28.764 -1.364 1 1 1206 . 15 1 1 A 124 124 GLN N N 124 121.500 121.714 -0.214 1 1 1207 . 15 1 1 A 125 125 ALA H H 125 8.210 8.036 0.174 1 1 1208 . 15 1 1 A 125 125 ALA HA H 125 3.960 4.155 -0.195 1 1 1212 . 15 1 1 A 125 125 ALA C C 125 167.800 179.815 -12.015 1 1 1213 . 15 1 1 A 125 125 ALA CA C 125 54.800 54.975 -0.175 1 1 1214 . 15 1 1 A 125 125 ALA CB C 125 18.700 18.526 0.174 1 1 1215 . 15 1 1 A 125 125 ALA N N 125 122.600 121.348 1.252 1 1 1216 . 15 1 1 A 126 126 ALA H H 126 8.900 8.566 0.334 1 1 1217 . 15 1 1 A 126 126 ALA HA H 126 4.110 4.069 0.041 1 1 1221 . 15 1 1 A 126 126 ALA C C 126 178.500 179.262 -0.762 1 1 1222 . 15 1 1 A 126 126 ALA CA C 126 55.300 54.951 0.349 1 1 1223 . 15 1 1 A 126 126 ALA CB C 126 18.100 18.801 -0.701 1 1 1224 . 15 1 1 A 126 126 ALA N N 126 124.600 119.595 5.005 1 1 1225 . 15 1 1 A 127 127 ALA H H 127 8.440 8.190 0.250 1 1 1226 . 15 1 1 A 127 127 ALA HA H 127 3.850 4.082 -0.232 1 1 1230 . 15 1 1 A 127 127 ALA C C 127 178.400 179.715 -1.315 1 1 1231 . 15 1 1 A 127 127 ALA CA C 127 55.500 55.251 0.249 1 1 1232 . 15 1 1 A 127 127 ALA CB C 127 18.500 18.246 0.254 1 1 1233 . 15 1 1 A 127 127 ALA N N 127 120.200 119.765 0.435 1 1 1234 . 15 1 1 A 128 128 ARG H H 128 7.790 7.960 -0.170 1 1 1235 . 15 1 1 A 128 128 ARG HA H 128 4.020 4.072 -0.052 1 1 1240 . 15 1 1 A 128 128 ARG C C 128 179.400 179.081 0.319 1 1 1241 . 15 1 1 A 128 128 ARG CA C 128 59.600 59.084 0.516 1 1 1242 . 15 1 1 A 128 128 ARG CB C 128 30.800 30.017 0.783 1 1 1244 . 15 1 1 A 128 128 ARG N N 128 115.900 119.663 -3.763 1 1 1245 . 15 1 1 A 129 129 THR H H 129 8.440 8.128 0.312 1 1 1246 . 15 1 1 A 129 129 THR HA H 129 3.770 3.966 -0.196 1 1 1251 . 15 1 1 A 129 129 THR C C 129 175.300 175.867 -0.567 1 1 1252 . 15 1 1 A 129 129 THR CA C 129 67.300 66.392 0.908 1 1 1253 . 15 1 1 A 129 129 THR CB C 129 68.300 68.450 -0.150 1 1 1255 . 15 1 1 A 129 129 THR N N 129 116.400 116.283 0.117 1 1 1256 . 15 1 1 A 130 130 TYR H H 130 8.790 8.324 0.466 1 1 1257 . 15 1 1 A 130 130 TYR HA H 130 3.600 4.156 -0.556 1 1 1262 . 15 1 1 A 130 130 TYR C C 130 175.500 178.130 -2.630 1 1 1263 . 15 1 1 A 130 130 TYR CA C 130 62.600 62.057 0.543 1 1 1264 . 15 1 1 A 130 130 TYR CB C 130 37.500 38.543 -1.043 1 1 1265 . 15 1 1 A 130 130 TYR N N 130 123.500 123.008 0.492 1 1 1266 . 15 1 1 A 131 131 ASN H H 131 7.800 8.234 -0.434 1 1 1267 . 15 1 1 A 131 131 ASN HA H 131 4.220 4.209 0.011 1 1 1270 . 15 1 1 A 131 131 ASN C C 131 179.200 178.174 1.026 1 1 1271 . 15 1 1 A 131 131 ASN CA C 131 55.500 56.248 -0.748 1 1 1272 . 15 1 1 A 131 131 ASN CB C 131 37.100 37.958 -0.858 1 1 1273 . 15 1 1 A 131 131 ASN N N 131 117.700 117.648 0.052 1 1 1274 . 15 1 1 A 132 132 ILE H H 132 7.520 7.771 -0.251 1 1 1275 . 15 1 1 A 132 132 ILE HA H 132 3.710 3.604 0.106 1 1 1285 . 15 1 1 A 132 132 ILE C C 132 178.100 178.229 -0.129 1 1 1286 . 15 1 1 A 132 132 ILE CA C 132 64.900 65.820 -0.920 1 1 1287 . 15 1 1 A 132 132 ILE CB C 132 38.500 38.369 0.131 1 1 1291 . 15 1 1 A 132 132 ILE N N 132 121.000 120.370 0.630 1 1 1292 . 15 1 1 A 133 133 LEU H H 133 8.420 8.407 0.013 1 1 1293 . 15 1 1 A 133 133 LEU HA H 133 3.910 3.976 -0.066 1 1 1303 . 15 1 1 A 133 133 LEU C C 133 179.600 179.503 0.097 1 1 1304 . 15 1 1 A 133 133 LEU CA C 133 57.900 57.843 0.057 1 1 1305 . 15 1 1 A 133 133 LEU CB C 133 41.700 40.651 1.049 1 1 1309 . 15 1 1 A 133 133 LEU N N 133 120.500 118.158 2.342 1 1 1310 . 15 1 1 A 134 134 MET H H 134 8.990 8.358 0.632 1 1 1311 . 15 1 1 A 134 134 MET HA H 134 3.870 4.011 -0.141 1 1 1319 . 15 1 1 A 134 134 MET C C 134 167.400 177.803 -10.403 1 1 1320 . 15 1 1 A 134 134 MET CA C 134 58.400 58.496 -0.096 1 1 1321 . 15 1 1 A 134 134 MET CB C 134 30.700 32.047 -1.347 1 1 1324 . 15 1 1 A 134 134 MET N N 134 119.900 118.645 1.255 1 1 1325 . 15 1 1 A 135 135 ALA H H 135 7.490 7.741 -0.251 1 1 1326 . 15 1 1 A 135 135 ALA HA H 135 4.060 3.926 0.134 1 1 1330 . 15 1 1 A 135 135 ALA C C 135 179.100 179.336 -0.236 1 1 1331 . 15 1 1 A 135 135 ALA CA C 135 54.700 55.257 -0.557 1 1 1332 . 15 1 1 A 135 135 ALA CB C 135 18.000 18.078 -0.078 1 1 1333 . 15 1 1 A 135 135 ALA N N 135 124.600 121.366 3.234 1 1 1334 . 15 1 1 A 136 136 GLU H H 136 7.540 7.874 -0.334 1 1 1335 . 15 1 1 A 136 136 GLU HA H 136 4.230 4.274 -0.044 1 1 1340 . 15 1 1 A 136 136 GLU C C 136 176.900 176.974 -0.074 1 1 1341 . 15 1 1 A 136 136 GLU CA C 136 56.400 56.455 -0.055 1 1 1342 . 15 1 1 A 136 136 GLU CB C 136 30.300 29.872 0.428 1 1 1344 . 15 1 1 A 136 136 GLU N N 136 116.500 115.679 0.821 1 1 1345 . 15 1 1 A 137 137 GLY H H 137 7.870 7.851 0.019 1 1 1346 . 15 1 1 A 137 137 GLY HA2 H 137 3.760 3.853 -0.093 1 1 1347 . 15 1 1 A 137 137 GLY HA3 H 137 4.140 3.861 0.279 1 1 1348 . 15 1 1 A 137 137 GLY C C 137 175.100 174.497 0.603 1 1 1349 . 15 1 1 A 137 137 GLY CA C 137 45.600 45.697 -0.097 1 1 1350 . 15 1 1 A 137 137 GLY N N 137 107.100 109.505 -2.405 1 1 1351 . 15 1 1 A 138 138 ARG H H 138 7.580 7.568 0.012 1 1 1352 . 15 1 1 A 138 138 ARG HA H 138 4.270 4.353 -0.083 1 1 1357 . 15 1 1 A 138 138 ARG C C 138 176.900 176.018 0.882 1 1 1358 . 15 1 1 A 138 138 ARG CA C 138 54.500 55.759 -1.259 1 1 1359 . 15 1 1 A 138 138 ARG CB C 138 30.100 31.211 -1.111 1 1 1361 . 15 1 1 A 138 138 ARG N N 138 118.100 119.843 -1.743 1 1 1362 . 15 1 1 A 139 139 ARG H H 139 9.240 8.595 0.645 1 1 1363 . 15 1 1 A 139 139 ARG HA H 139 4.470 4.542 -0.072 1 1 1370 . 15 1 1 A 139 139 ARG C C 139 174.400 175.292 -0.892 1 1 1371 . 15 1 1 A 139 139 ARG CA C 139 55.700 56.162 -0.462 1 1 1372 . 15 1 1 A 139 139 ARG CB C 139 28.000 29.823 -1.823 1 1 1375 . 15 1 1 A 139 139 ARG N N 139 124.400 122.194 2.206 1 1 1376 . 15 1 1 A 140 140 VAL H H 140 7.250 8.416 -1.166 1 1 1377 . 15 1 1 A 140 140 VAL HA H 140 5.180 5.365 -0.185 1 1 1385 . 15 1 1 A 140 140 VAL C C 140 172.800 173.990 -1.190 1 1 1386 . 15 1 1 A 140 140 VAL CA C 140 57.700 59.893 -2.193 1 1 1387 . 15 1 1 A 140 140 VAL CB C 140 34.700 35.197 -0.497 1 1 1390 . 15 1 1 A 140 140 VAL N N 140 121.900 123.605 -1.705 1 1 1391 . 15 1 1 A 141 141 VAL H H 141 8.180 8.730 -0.550 1 1 1392 . 15 1 1 A 141 141 VAL HA H 141 4.510 4.939 -0.429 1 1 1400 . 15 1 1 A 141 141 VAL C C 141 172.600 173.944 -1.344 1 1 1401 . 15 1 1 A 141 141 VAL CA C 141 60.300 60.513 -0.213 1 1 1402 . 15 1 1 A 141 141 VAL CB C 141 35.600 34.331 1.269 1 1 1405 . 15 1 1 A 141 141 VAL N N 141 123.900 127.913 -4.013 1 1 1406 . 15 1 1 A 142 142 VAL H H 142 8.430 8.699 -0.269 1 1 1407 . 15 1 1 A 142 142 VAL HA H 142 5.220 4.855 0.365 1 1 1415 . 15 1 1 A 142 142 VAL C C 142 170.000 172.697 -2.697 1 1 1416 . 15 1 1 A 142 142 VAL CA C 142 57.600 58.967 -1.367 1 1 1417 . 15 1 1 A 142 142 VAL CB C 142 35.500 33.495 2.005 1 1 1420 . 15 1 1 A 142 142 VAL N N 142 124.600 128.059 -3.459 1 1 1421 . 15 1 1 A 143 143 ALA H H 143 8.220 9.033 -0.813 1 1 1422 . 15 1 1 A 143 143 ALA HA H 143 4.680 4.996 -0.316 1 1 1426 . 15 1 1 A 143 143 ALA C C 143 175.400 175.664 -0.264 1 1 1427 . 15 1 1 A 143 143 ALA CA C 143 49.900 49.897 0.003 1 1 1428 . 15 1 1 A 143 143 ALA CB C 143 19.600 19.873 -0.273 1 1 1429 . 15 1 1 A 143 143 ALA N N 143 129.100 130.711 -1.611 1 1 1430 . 15 1 1 A 144 144 LEU H H 144 9.070 8.941 0.129 1 1 1431 . 15 1 1 A 144 144 LEU HA H 144 4.840 5.177 -0.337 1 1 1441 . 15 1 1 A 144 144 LEU CA C 144 53.400 53.382 0.018 1 1 1442 . 15 1 1 A 144 144 LEU CB C 144 46.500 44.268 2.232 1 1 1445 . 15 1 1 A 144 144 LEU N N 144 119.600 124.002 -4.402 1 1 1446 . 15 1 1 A 145 145 LEU HA H 145 4.830 4.860 -0.030 1 1 1456 . 15 1 1 A 145 145 LEU CA C 145 51.800 51.732 0.068 1 1 1457 . 15 1 1 A 145 145 LEU CB C 145 41.700 41.589 0.111 1 1 1461 . 15 1 1 A 146 146 PRO HA H 146 4.330 4.694 -0.364 1 1 1466 . 15 1 1 A 146 146 PRO C C 146 175.700 174.676 1.024 1 1 1467 . 15 1 1 A 146 146 PRO CA C 146 62.800 62.392 0.408 1 1 1468 . 15 1 1 A 146 146 PRO CB C 146 31.500 29.978 1.522 1 1 1470 . 15 1 1 A 147 147 ASP H H 147 8.660 8.337 0.323 1 1 1471 . 15 1 1 A 147 147 ASP HA H 147 4.510 4.860 -0.350 1 1 1474 . 15 1 1 A 147 147 ASP C C 147 176.300 174.064 2.236 1 1 1475 . 15 1 1 A 147 147 ASP CA C 147 54.300 52.942 1.358 1 1 1476 . 15 1 1 A 147 147 ASP CB C 147 42.100 43.526 -1.426 1 1 1477 . 15 1 1 A 147 147 ASP N N 147 120.700 122.752 -2.052 1 1 1478 . 15 1 1 A 148 148 GLY H H 148 8.310 8.490 -0.180 1 1 1479 . 15 1 1 A 148 148 GLY HA2 H 148 4.020 4.147 -0.127 1 1 1480 . 15 1 1 A 148 148 GLY HA3 H 148 4.050 4.210 -0.160 1 1 1481 . 15 1 1 A 148 148 GLY C C 148 173.600 173.612 -0.012 1 1 1482 . 15 1 1 A 148 148 GLY CA C 148 45.200 45.595 -0.395 1 1 1483 . 15 1 1 A 148 148 GLY N N 148 109.400 107.979 1.421 1 1 1484 . 15 1 1 A 149 149 ASP H H 149 8.550 7.942 0.608 1 1 1485 . 15 1 1 A 149 149 ASP HA H 149 4.650 5.154 -0.504 1 1 1488 . 15 1 1 A 149 149 ASP C C 149 176.700 174.655 2.045 1 1 1489 . 15 1 1 A 149 149 ASP CA C 149 54.500 52.727 1.773 1 1 1490 . 15 1 1 A 149 149 ASP CB C 149 41.600 44.029 -2.429 1 1 1491 . 15 1 1 A 149 149 ASP N N 149 120.800 122.098 -1.298 1 1 1492 . 15 1 1 A 150 150 SER H H 150 8.600 8.908 -0.308 1 1 1493 . 15 1 1 A 150 150 SER HA H 150 4.350 4.582 -0.232 1 1 1496 . 15 1 1 A 150 150 SER C C 150 175.000 175.176 -0.176 1 1 1497 . 15 1 1 A 150 150 SER CA C 150 58.900 57.786 1.114 1 1 1498 . 15 1 1 A 150 150 SER CB C 150 63.500 64.640 -1.140 1 1 1499 . 15 1 1 A 150 150 SER N N 150 116.400 118.226 -1.826 1 1 1500 . 15 1 1 A 151 151 LEU H H 151 8.290 8.665 -0.375 1 1 1501 . 15 1 1 A 151 151 LEU CA C 151 55.500 58.572 -3.072 1 1 1502 . 15 1 1 A 151 151 LEU CB C 151 41.900 41.497 0.403 1 1 5 . 16 1 1 A 4 4 HIS C C 4 174.800 174.187 0.613 1 1 6 . 16 1 1 A 4 4 HIS CA C 4 55.900 53.531 2.369 1 1 7 . 16 1 1 A 4 4 HIS CB C 4 30.000 31.031 -1.031 1 1 8 . 16 1 1 A 5 5 THR H H 5 7.990 8.663 -0.673 1 1 9 . 16 1 1 A 5 5 THR C C 5 173.800 173.924 -0.124 1 1 10 . 16 1 1 A 5 5 THR CA C 5 61.500 61.445 0.055 1 1 11 . 16 1 1 A 5 5 THR CB C 5 69.900 69.681 0.219 1 1 12 . 16 1 1 A 5 5 THR N N 5 115.300 117.371 -2.071 1 1 13 . 16 1 1 A 6 6 ASP H H 6 8.370 8.457 -0.087 1 1 14 . 16 1 1 A 6 6 ASP HA H 6 4.860 4.813 0.047 1 1 17 . 16 1 1 A 6 6 ASP CA C 6 52.500 52.530 -0.030 1 1 18 . 16 1 1 A 6 6 ASP CB C 6 41.100 40.542 0.558 1 1 19 . 16 1 1 A 6 6 ASP N N 6 124.400 121.970 2.430 1 1 20 . 16 1 1 A 7 7 PRO HA H 7 4.350 4.457 -0.107 1 1 26 . 16 1 1 A 7 7 PRO C C 7 176.900 176.356 0.544 1 1 27 . 16 1 1 A 7 7 PRO CA C 7 63.500 62.537 0.963 1 1 28 . 16 1 1 A 7 7 PRO CB C 7 32.100 32.072 0.028 1 1 31 . 16 1 1 A 8 8 ALA H H 8 8.420 8.257 0.163 1 1 32 . 16 1 1 A 8 8 ALA HA H 8 4.260 4.591 -0.331 1 1 36 . 16 1 1 A 8 8 ALA C C 8 178.100 177.207 0.893 1 1 37 . 16 1 1 A 8 8 ALA CA C 8 52.900 51.194 1.706 1 1 38 . 16 1 1 A 8 8 ALA CB C 8 19.200 20.938 -1.738 1 1 39 . 16 1 1 A 8 8 ALA N N 8 122.700 122.853 -0.153 1 1 40 . 16 1 1 A 9 9 THR H H 9 7.880 8.506 -0.626 1 1 41 . 16 1 1 A 9 9 THR HA H 9 4.230 4.988 -0.758 1 1 46 . 16 1 1 A 9 9 THR C C 9 173.800 173.742 0.058 1 1 47 . 16 1 1 A 9 9 THR CA C 9 61.700 59.947 1.753 1 1 48 . 16 1 1 A 9 9 THR CB C 9 69.700 70.800 -1.100 1 1 50 . 16 1 1 A 9 9 THR N N 9 112.900 108.975 3.925 1 1 51 . 16 1 1 A 10 10 ALA H H 10 8.160 8.174 -0.014 1 1 52 . 16 1 1 A 10 10 ALA HA H 10 4.340 4.601 -0.261 1 1 56 . 16 1 1 A 10 10 ALA C C 10 177.000 176.712 0.288 1 1 57 . 16 1 1 A 10 10 ALA CA C 10 52.300 51.575 0.725 1 1 58 . 16 1 1 A 10 10 ALA CB C 10 19.400 19.657 -0.257 1 1 59 . 16 1 1 A 10 10 ALA N N 10 127.000 124.415 2.585 1 1 60 . 16 1 1 A 11 11 LEU H H 11 8.040 9.005 -0.965 1 1 61 . 16 1 1 A 11 11 LEU HA H 11 4.640 4.760 -0.120 1 1 70 . 16 1 1 A 11 11 LEU C C 11 178.300 175.946 2.354 1 1 71 . 16 1 1 A 11 11 LEU CA C 11 54.000 54.305 -0.305 1 1 72 . 16 1 1 A 11 11 LEU CB C 11 42.900 41.090 1.810 1 1 75 . 16 1 1 A 11 11 LEU N N 11 121.500 124.255 -2.755 1 1 76 . 16 1 1 A 12 12 ASN H H 12 9.700 8.309 1.391 1 1 77 . 16 1 1 A 12 12 ASN HA H 12 4.760 5.056 -0.296 1 1 80 . 16 1 1 A 12 12 ASN C C 12 174.700 174.341 0.359 1 1 81 . 16 1 1 A 12 12 ASN CA C 12 54.100 53.233 0.867 1 1 82 . 16 1 1 A 12 12 ASN CB C 12 38.100 38.303 -0.203 1 1 83 . 16 1 1 A 12 12 ASN N N 12 121.500 123.849 -2.349 1 1 84 . 16 1 1 A 13 13 THR H H 13 8.710 8.852 -0.142 1 1 85 . 16 1 1 A 13 13 THR HA H 13 4.760 4.944 -0.184 1 1 90 . 16 1 1 A 13 13 THR C C 13 173.600 173.985 -0.385 1 1 91 . 16 1 1 A 13 13 THR CA C 13 61.900 61.899 0.001 1 1 92 . 16 1 1 A 13 13 THR CB C 13 71.500 70.857 0.643 1 1 94 . 16 1 1 A 13 13 THR N N 13 121.800 121.619 0.181 1 1 95 . 16 1 1 A 14 14 VAL H H 14 9.500 9.092 0.408 1 1 96 . 16 1 1 A 14 14 VAL HA H 14 4.660 3.968 0.692 1 1 104 . 16 1 1 A 14 14 VAL C C 14 177.000 177.181 -0.181 1 1 105 . 16 1 1 A 14 14 VAL CA C 14 63.800 63.458 0.342 1 1 106 . 16 1 1 A 14 14 VAL CB C 14 30.600 31.625 -1.025 1 1 109 . 16 1 1 A 14 14 VAL N N 14 126.700 126.760 -0.060 1 1 110 . 16 1 1 A 15 15 THR H H 15 8.900 9.041 -0.141 1 1 111 . 16 1 1 A 15 15 THR HA H 15 4.300 4.435 -0.135 1 1 116 . 16 1 1 A 15 15 THR C C 15 174.900 175.034 -0.134 1 1 117 . 16 1 1 A 15 15 THR CA C 15 62.800 62.652 0.148 1 1 118 . 16 1 1 A 15 15 THR CB C 15 68.700 69.215 -0.515 1 1 120 . 16 1 1 A 15 15 THR N N 15 122.000 119.412 2.588 1 1 121 . 16 1 1 A 16 16 ALA H H 16 7.960 7.121 0.839 1 1 122 . 16 1 1 A 16 16 ALA HA H 16 4.360 4.329 0.031 1 1 126 . 16 1 1 A 16 16 ALA C C 16 174.400 175.635 -1.235 1 1 127 . 16 1 1 A 16 16 ALA CA C 16 52.600 51.397 1.203 1 1 128 . 16 1 1 A 16 16 ALA CB C 16 21.900 21.761 0.139 1 1 129 . 16 1 1 A 16 16 ALA N N 16 120.900 120.728 0.172 1 1 130 . 16 1 1 A 17 17 TYR H H 17 7.790 8.746 -0.956 1 1 131 . 16 1 1 A 17 17 TYR HA H 17 4.390 4.541 -0.151 1 1 136 . 16 1 1 A 17 17 TYR C C 17 173.000 176.193 -3.193 1 1 137 . 16 1 1 A 17 17 TYR CA C 17 56.400 58.148 -1.748 1 1 138 . 16 1 1 A 17 17 TYR CB C 17 39.700 39.772 -0.072 1 1 141 . 16 1 1 A 17 17 TYR N N 17 114.800 116.738 -1.938 1 1 142 . 16 1 1 A 18 18 GLY H H 18 7.030 7.970 -0.940 1 1 143 . 16 1 1 A 18 18 GLY HA2 H 18 3.210 3.681 -0.471 1 1 144 . 16 1 1 A 18 18 GLY HA3 H 18 3.900 3.901 -0.001 1 1 145 . 16 1 1 A 18 18 GLY C C 18 172.200 172.903 -0.703 1 1 146 . 16 1 1 A 18 18 GLY CA C 18 44.900 47.287 -2.387 1 1 147 . 16 1 1 A 18 18 GLY N N 18 108.600 107.873 0.727 1 1 148 . 16 1 1 A 19 19 ASP H H 19 8.410 8.179 0.231 1 1 149 . 16 1 1 A 19 19 ASP HA H 19 4.320 4.936 -0.616 1 1 152 . 16 1 1 A 19 19 ASP C C 19 176.500 175.539 0.961 1 1 153 . 16 1 1 A 19 19 ASP CA C 19 55.600 53.288 2.312 1 1 154 . 16 1 1 A 19 19 ASP CB C 19 39.500 42.812 -3.312 1 1 155 . 16 1 1 A 19 19 ASP N N 19 120.400 123.775 -3.375 1 1 156 . 16 1 1 A 20 20 GLY H H 20 8.670 8.550 0.120 1 1 157 . 16 1 1 A 20 20 GLY HA2 H 20 3.670 4.052 -0.382 1 1 158 . 16 1 1 A 20 20 GLY HA3 H 20 4.210 4.091 0.119 1 1 159 . 16 1 1 A 20 20 GLY C C 20 173.900 173.232 0.668 1 1 160 . 16 1 1 A 20 20 GLY CA C 20 45.800 45.773 0.027 1 1 161 . 16 1 1 A 20 20 GLY N N 20 113.500 112.810 0.690 1 1 162 . 16 1 1 A 21 21 TYR H H 21 7.530 7.335 0.195 1 1 163 . 16 1 1 A 21 21 TYR HA H 21 5.480 5.174 0.306 1 1 168 . 16 1 1 A 21 21 TYR C C 21 172.800 172.630 0.170 1 1 169 . 16 1 1 A 21 21 TYR CA C 21 56.700 56.129 0.571 1 1 170 . 16 1 1 A 21 21 TYR CB C 21 41.400 40.486 0.914 1 1 173 . 16 1 1 A 21 21 TYR N N 21 114.300 115.162 -0.862 1 1 174 . 16 1 1 A 22 22 ILE H H 22 8.780 9.331 -0.551 1 1 175 . 16 1 1 A 22 22 ILE HA H 22 4.350 4.875 -0.525 1 1 185 . 16 1 1 A 22 22 ILE C C 22 173.800 174.793 -0.993 1 1 186 . 16 1 1 A 22 22 ILE CA C 22 60.200 60.643 -0.443 1 1 187 . 16 1 1 A 22 22 ILE CB C 22 41.700 40.811 0.889 1 1 191 . 16 1 1 A 22 22 ILE N N 22 119.300 119.938 -0.638 1 1 192 . 16 1 1 A 23 23 GLU H H 23 9.010 8.937 0.073 1 1 193 . 16 1 1 A 23 23 GLU HA H 23 5.680 5.527 0.153 1 1 198 . 16 1 1 A 23 23 GLU C C 23 175.000 175.377 -0.377 1 1 199 . 16 1 1 A 23 23 GLU CA C 23 54.300 55.046 -0.746 1 1 200 . 16 1 1 A 23 23 GLU CB C 23 33.500 31.404 2.096 1 1 202 . 16 1 1 A 23 23 GLU N N 23 127.800 128.671 -0.871 1 1 203 . 16 1 1 A 24 24 VAL H H 24 8.980 8.849 0.131 1 1 204 . 16 1 1 A 24 24 VAL HA H 24 4.840 4.328 0.512 1 1 212 . 16 1 1 A 24 24 VAL C C 24 177.300 176.445 0.855 1 1 213 . 16 1 1 A 24 24 VAL CA C 24 60.600 61.192 -0.592 1 1 214 . 16 1 1 A 24 24 VAL CB C 24 33.600 32.419 1.181 1 1 217 . 16 1 1 A 24 24 VAL N N 24 125.400 127.816 -2.416 1 1 218 . 16 1 1 A 25 25 ASN H H 25 9.340 8.866 0.474 1 1 219 . 16 1 1 A 25 25 ASN HA H 25 4.340 4.301 0.039 1 1 222 . 16 1 1 A 25 25 ASN C C 25 173.800 174.216 -0.416 1 1 223 . 16 1 1 A 25 25 ASN CA C 25 54.600 54.287 0.313 1 1 224 . 16 1 1 A 25 25 ASN CB C 25 36.600 37.236 -0.636 1 1 225 . 16 1 1 A 25 25 ASN N N 25 127.800 126.229 1.571 1 1 226 . 16 1 1 A 26 26 GLN H H 26 7.920 8.470 -0.550 1 1 227 . 16 1 1 A 26 26 GLN HA H 26 3.670 3.990 -0.320 1 1 232 . 16 1 1 A 26 26 GLN C C 26 174.400 175.045 -0.645 1 1 233 . 16 1 1 A 26 26 GLN CA C 26 58.100 57.613 0.487 1 1 234 . 16 1 1 A 26 26 GLN CB C 26 26.500 27.053 -0.553 1 1 236 . 16 1 1 A 26 26 GLN N N 26 104.100 110.139 -6.039 1 1 237 . 16 1 1 A 27 27 VAL H H 27 7.850 7.304 0.546 1 1 238 . 16 1 1 A 27 27 VAL HA H 27 3.900 3.830 0.070 1 1 246 . 16 1 1 A 27 27 VAL C C 27 174.200 174.908 -0.708 1 1 247 . 16 1 1 A 27 27 VAL CA C 27 62.100 62.734 -0.634 1 1 248 . 16 1 1 A 27 27 VAL CB C 27 32.500 31.533 0.967 1 1 251 . 16 1 1 A 27 27 VAL N N 27 123.100 121.501 1.599 1 1 252 . 16 1 1 A 28 28 ARG H H 28 8.430 8.330 0.100 1 1 253 . 16 1 1 A 28 28 ARG HA H 28 4.320 4.602 -0.282 1 1 256 . 16 1 1 A 28 28 ARG C C 28 175.200 174.492 0.708 1 1 257 . 16 1 1 A 28 28 ARG CA C 28 57.100 55.048 2.052 1 1 258 . 16 1 1 A 28 28 ARG CB C 28 31.300 30.102 1.198 1 1 259 . 16 1 1 A 28 28 ARG N N 28 126.200 127.696 -1.496 1 1 260 . 16 1 1 A 29 29 PHE H H 29 9.290 9.465 -0.175 1 1 261 . 16 1 1 A 29 29 PHE HA H 29 4.580 4.916 -0.336 1 1 266 . 16 1 1 A 29 29 PHE C C 29 175.800 175.832 -0.032 1 1 267 . 16 1 1 A 29 29 PHE CA C 29 57.700 57.276 0.424 1 1 268 . 16 1 1 A 29 29 PHE CB C 29 42.000 40.237 1.763 1 1 271 . 16 1 1 A 29 29 PHE N N 29 123.900 125.471 -1.571 1 1 272 . 16 1 1 A 30 30 SER H H 30 8.950 8.958 -0.008 1 1 273 . 16 1 1 A 30 30 SER HA H 30 5.130 4.887 0.243 1 1 276 . 16 1 1 A 30 30 SER C C 30 172.900 173.642 -0.742 1 1 277 . 16 1 1 A 30 30 SER CA C 30 57.000 58.561 -1.561 1 1 278 . 16 1 1 A 30 30 SER CB C 30 63.200 63.821 -0.621 1 1 279 . 16 1 1 A 30 30 SER N N 30 119.400 120.521 -1.121 1 1 280 . 16 1 1 A 31 31 HIS H H 31 7.170 7.505 -0.335 1 1 281 . 16 1 1 A 31 31 HIS HA H 31 4.840 5.177 -0.337 1 1 284 . 16 1 1 A 31 31 HIS C C 31 171.900 173.095 -1.195 1 1 285 . 16 1 1 A 31 31 HIS CA C 31 53.200 54.139 -0.939 1 1 286 . 16 1 1 A 31 31 HIS CB C 31 31.100 31.908 -0.808 1 1 287 . 16 1 1 A 31 31 HIS N N 31 114.600 117.185 -2.585 1 1 288 . 16 1 1 A 32 32 ALA H H 32 8.930 8.769 0.161 1 1 289 . 16 1 1 A 32 32 ALA HA H 32 5.050 4.625 0.425 1 1 293 . 16 1 1 A 32 32 ALA C C 32 179.000 177.634 1.366 1 1 294 . 16 1 1 A 32 32 ALA CA C 32 53.700 52.542 1.158 1 1 295 . 16 1 1 A 32 32 ALA CB C 32 20.700 19.648 1.052 1 1 296 . 16 1 1 A 32 32 ALA N N 32 120.200 122.846 -2.646 1 1 297 . 16 1 1 A 33 33 ILE H H 33 8.280 8.610 -0.330 1 1 298 . 16 1 1 A 33 33 ILE HA H 33 5.520 5.078 0.442 1 1 308 . 16 1 1 A 33 33 ILE C C 33 173.400 174.364 -0.964 1 1 309 . 16 1 1 A 33 33 ILE CA C 33 59.500 59.425 0.075 1 1 310 . 16 1 1 A 33 33 ILE CB C 33 44.500 42.140 2.360 1 1 313 . 16 1 1 A 33 33 ILE N N 33 115.800 116.682 -0.882 1 1 314 . 16 1 1 A 34 34 ALA H H 34 8.900 9.076 -0.176 1 1 315 . 16 1 1 A 34 34 ALA HA H 34 5.290 5.189 0.101 1 1 319 . 16 1 1 A 34 34 ALA C C 34 176.100 175.973 0.127 1 1 320 . 16 1 1 A 34 34 ALA CA C 34 51.100 50.429 0.671 1 1 321 . 16 1 1 A 34 34 ALA CB C 34 21.900 21.663 0.237 1 1 322 . 16 1 1 A 34 34 ALA N N 34 121.600 124.673 -3.073 1 1 323 . 16 1 1 A 35 35 PHE H H 35 8.580 8.270 0.310 1 1 324 . 16 1 1 A 35 35 PHE HA H 35 4.740 5.289 -0.549 1 1 330 . 16 1 1 A 35 35 PHE C C 35 170.000 172.681 -2.681 1 1 331 . 16 1 1 A 35 35 PHE CA C 35 57.100 55.736 1.364 1 1 332 . 16 1 1 A 35 35 PHE CB C 35 39.700 41.998 -2.298 1 1 336 . 16 1 1 A 35 35 PHE N N 35 116.600 117.233 -0.633 1 1 337 . 16 1 1 A 36 36 ALA H H 36 8.730 8.475 0.255 1 1 338 . 16 1 1 A 36 36 ALA HA H 36 5.170 4.777 0.393 1 1 342 . 16 1 1 A 36 36 ALA CA C 36 49.100 49.962 -0.862 1 1 343 . 16 1 1 A 36 36 ALA CB C 36 20.500 21.750 -1.250 1 1 344 . 16 1 1 A 36 36 ALA N N 36 123.400 120.821 2.579 1 1 345 . 16 1 1 A 37 37 PRO HA H 37 4.740 5.064 -0.324 1 1 350 . 16 1 1 A 37 37 PRO C C 37 176.500 176.976 -0.476 1 1 351 . 16 1 1 A 37 37 PRO CA C 37 66.200 65.221 0.979 1 1 352 . 16 1 1 A 37 37 PRO CB C 37 33.600 31.751 1.849 1 1 354 . 16 1 1 A 38 38 GLU H H 38 7.450 7.982 -0.532 1 1 355 . 16 1 1 A 38 38 GLU HA H 38 4.790 4.500 0.290 1 1 360 . 16 1 1 A 38 38 GLU C C 38 177.300 175.457 1.843 1 1 361 . 16 1 1 A 38 38 GLU CA C 38 54.200 55.460 -1.260 1 1 362 . 16 1 1 A 38 38 GLU CB C 38 32.600 30.536 2.064 1 1 364 . 16 1 1 A 38 38 GLU N N 38 110.100 116.562 -6.462 1 1 365 . 16 1 1 A 39 39 GLY H H 39 8.600 8.406 0.194 1 1 366 . 16 1 1 A 39 39 GLY HA2 H 39 3.920 4.119 -0.199 1 1 367 . 16 1 1 A 39 39 GLY HA3 H 39 4.440 4.121 0.319 1 1 368 . 16 1 1 A 39 39 GLY CA C 39 44.400 44.317 0.083 1 1 369 . 16 1 1 A 39 39 GLY N N 39 109.500 112.607 -3.107 1 1 370 . 16 1 1 A 40 40 PRO HA H 40 4.550 4.707 -0.157 1 1 375 . 16 1 1 A 40 40 PRO C C 40 177.100 175.529 1.571 1 1 376 . 16 1 1 A 40 40 PRO CA C 40 62.500 62.326 0.174 1 1 377 . 16 1 1 A 40 40 PRO CB C 40 32.700 33.052 -0.352 1 1 378 . 16 1 1 A 41 41 VAL H H 41 8.530 8.429 0.101 1 1 379 . 16 1 1 A 41 41 VAL HA H 41 3.900 4.385 -0.485 1 1 387 . 16 1 1 A 41 41 VAL C C 41 175.200 175.557 -0.357 1 1 388 . 16 1 1 A 41 41 VAL CA C 41 63.000 61.503 1.497 1 1 389 . 16 1 1 A 41 41 VAL CB C 41 31.100 32.228 -1.128 1 1 392 . 16 1 1 A 41 41 VAL N N 41 123.000 119.445 3.555 1 1 393 . 16 1 1 A 42 42 ALA H H 42 8.320 9.407 -1.087 1 1 394 . 16 1 1 A 42 42 ALA HA H 42 4.750 5.250 -0.500 1 1 398 . 16 1 1 A 42 42 ALA C C 42 177.400 176.409 0.991 1 1 399 . 16 1 1 A 42 42 ALA CA C 42 50.800 50.250 0.550 1 1 400 . 16 1 1 A 42 42 ALA CB C 42 21.400 20.901 0.499 1 1 401 . 16 1 1 A 42 42 ALA N N 42 131.300 131.547 -0.247 1 1 402 . 16 1 1 A 43 43 SER H H 43 8.660 8.730 -0.070 1 1 403 . 16 1 1 A 43 43 SER HA H 43 4.690 4.869 -0.179 1 1 406 . 16 1 1 A 43 43 SER CA C 43 59.000 57.741 1.259 1 1 407 . 16 1 1 A 43 43 SER CB C 43 62.800 63.879 -1.079 1 1 408 . 16 1 1 A 43 43 SER N N 43 115.400 117.310 -1.910 1 1 409 . 16 1 1 A 44 44 TRP HA H 44 5.470 5.083 0.387 1 1 418 . 16 1 1 A 44 44 TRP CA C 44 52.200 55.603 -3.403 1 1 419 . 16 1 1 A 44 44 TRP CB C 44 31.000 31.070 -0.070 1 1 426 . 16 1 1 A 45 45 PRO HA H 45 4.550 4.397 0.153 1 1 431 . 16 1 1 A 45 45 PRO C C 45 173.000 176.127 -3.127 1 1 432 . 16 1 1 A 45 45 PRO CA C 45 63.300 63.884 -0.584 1 1 433 . 16 1 1 A 45 45 PRO CB C 45 27.800 31.403 -3.603 1 1 435 . 16 1 1 A 46 46 VAL H H 46 8.390 7.321 1.069 1 1 436 . 16 1 1 A 46 46 VAL HA H 46 3.770 3.946 -0.176 1 1 444 . 16 1 1 A 46 46 VAL C C 46 174.100 175.594 -1.494 1 1 445 . 16 1 1 A 46 46 VAL CA C 46 61.100 61.449 -0.349 1 1 446 . 16 1 1 A 46 46 VAL CB C 46 35.200 30.355 4.845 1 1 449 . 16 1 1 A 46 46 VAL N N 46 124.300 119.811 4.489 1 1 450 . 16 1 1 A 47 47 GLN H H 47 8.970 8.685 0.285 1 1 451 . 16 1 1 A 47 47 GLN HA H 47 4.430 4.641 -0.211 1 1 456 . 16 1 1 A 47 47 GLN C C 47 175.100 175.807 -0.707 1 1 457 . 16 1 1 A 47 47 GLN CA C 47 56.400 56.022 0.378 1 1 458 . 16 1 1 A 47 47 GLN CB C 47 30.900 29.389 1.511 1 1 459 . 16 1 1 A 47 47 GLN N N 47 122.000 126.588 -4.588 1 1 460 . 16 1 1 A 48 48 ARG H H 48 7.720 7.452 0.268 1 1 461 . 16 1 1 A 48 48 ARG HA H 48 4.750 4.808 -0.058 1 1 468 . 16 1 1 A 48 48 ARG CA C 48 52.800 52.818 -0.018 1 1 469 . 16 1 1 A 48 48 ARG CB C 48 30.500 32.231 -1.731 1 1 471 . 16 1 1 A 48 48 ARG N N 48 116.600 118.438 -1.838 1 1 472 . 16 1 1 A 49 49 PRO HA H 49 3.750 4.366 -0.616 1 1 477 . 16 1 1 A 49 49 PRO C C 49 177.500 177.254 0.246 1 1 478 . 16 1 1 A 49 49 PRO CA C 49 65.400 64.242 1.158 1 1 479 . 16 1 1 A 49 49 PRO CB C 49 30.700 31.605 -0.905 1 1 481 . 16 1 1 A 50 50 ALA H H 50 7.960 8.159 -0.199 1 1 482 . 16 1 1 A 50 50 ALA HA H 50 4.010 4.293 -0.283 1 1 486 . 16 1 1 A 50 50 ALA C C 50 177.300 177.810 -0.510 1 1 487 . 16 1 1 A 50 50 ALA CA C 50 53.800 53.035 0.765 1 1 488 . 16 1 1 A 50 50 ALA CB C 50 18.500 19.000 -0.500 1 1 489 . 16 1 1 A 50 50 ALA N N 50 117.200 120.314 -3.114 1 1 490 . 16 1 1 A 51 51 ASP H H 51 7.570 8.008 -0.438 1 1 491 . 16 1 1 A 51 51 ASP HA H 51 4.410 4.590 -0.180 1 1 494 . 16 1 1 A 51 51 ASP C C 51 176.000 175.576 0.424 1 1 495 . 16 1 1 A 51 51 ASP CA C 51 54.200 54.059 0.141 1 1 496 . 16 1 1 A 51 51 ASP CB C 51 41.900 41.370 0.530 1 1 497 . 16 1 1 A 51 51 ASP N N 51 114.800 117.014 -2.214 1 1 498 . 16 1 1 A 52 52 ILE H H 52 7.290 7.368 -0.078 1 1 499 . 16 1 1 A 52 52 ILE HA H 52 3.100 3.934 -0.834 1 1 509 . 16 1 1 A 52 52 ILE C C 52 174.800 175.320 -0.520 1 1 510 . 16 1 1 A 52 52 ILE CA C 52 65.100 61.006 4.094 1 1 511 . 16 1 1 A 52 52 ILE CB C 52 37.100 37.918 -0.818 1 1 515 . 16 1 1 A 52 52 ILE N N 52 117.700 121.619 -3.919 1 1 516 . 16 1 1 A 53 53 THR H H 53 6.560 8.190 -1.630 1 1 517 . 16 1 1 A 53 53 THR HA H 53 4.720 4.981 -0.261 1 1 522 . 16 1 1 A 53 53 THR C C 53 174.600 175.562 -0.962 1 1 523 . 16 1 1 A 53 53 THR CA C 53 58.500 59.296 -0.796 1 1 524 . 16 1 1 A 53 53 THR CB C 53 72.900 72.027 0.873 1 1 526 . 16 1 1 A 53 53 THR N N 53 117.300 117.715 -0.415 1 1 527 . 16 1 1 A 54 54 ALA H H 54 9.340 9.106 0.234 1 1 528 . 16 1 1 A 54 54 ALA HA H 54 4.460 4.050 0.410 1 1 532 . 16 1 1 A 54 54 ALA C C 54 167.400 179.803 -12.403 1 1 533 . 16 1 1 A 54 54 ALA CA C 54 55.800 55.572 0.228 1 1 534 . 16 1 1 A 54 54 ALA CB C 54 18.200 18.144 0.056 1 1 535 . 16 1 1 A 54 54 ALA N N 54 123.800 125.301 -1.501 1 1 536 . 16 1 1 A 55 55 SER H H 55 8.530 8.109 0.421 1 1 537 . 16 1 1 A 55 55 SER HA H 55 4.280 4.119 0.161 1 1 541 . 16 1 1 A 55 55 SER C C 55 177.700 176.300 1.400 1 1 542 . 16 1 1 A 55 55 SER CA C 55 61.600 62.099 -0.499 1 1 543 . 16 1 1 A 55 55 SER CB C 55 62.600 62.857 -0.257 1 1 544 . 16 1 1 A 55 55 SER N N 55 112.600 113.693 -1.093 1 1 545 . 16 1 1 A 56 56 LEU H H 56 7.810 8.241 -0.431 1 1 546 . 16 1 1 A 56 56 LEU HA H 56 4.280 4.140 0.140 1 1 556 . 16 1 1 A 56 56 LEU C C 56 168.100 180.147 -12.047 1 1 557 . 16 1 1 A 56 56 LEU CA C 56 57.900 57.603 0.297 1 1 558 . 16 1 1 A 56 56 LEU CB C 56 42.100 41.337 0.763 1 1 562 . 16 1 1 A 56 56 LEU N N 56 122.500 120.732 1.768 1 1 563 . 16 1 1 A 57 57 LEU H H 57 8.490 8.071 0.419 1 1 564 . 16 1 1 A 57 57 LEU HA H 57 4.180 4.121 0.059 1 1 574 . 16 1 1 A 57 57 LEU C C 57 178.000 179.332 -1.332 1 1 575 . 16 1 1 A 57 57 LEU CA C 57 58.300 58.205 0.095 1 1 576 . 16 1 1 A 57 57 LEU CB C 57 41.200 41.025 0.175 1 1 580 . 16 1 1 A 57 57 LEU N N 57 123.900 120.713 3.187 1 1 581 . 16 1 1 A 58 58 GLN H H 58 8.500 8.298 0.202 1 1 582 . 16 1 1 A 58 58 GLN HA H 58 3.680 4.024 -0.344 1 1 589 . 16 1 1 A 58 58 GLN C C 58 178.200 179.090 -0.890 1 1 590 . 16 1 1 A 58 58 GLN CA C 58 60.200 59.336 0.864 1 1 591 . 16 1 1 A 58 58 GLN CB C 58 28.500 28.234 0.266 1 1 593 . 16 1 1 A 58 58 GLN N N 58 118.800 119.002 -0.202 1 1 595 . 16 1 1 A 59 59 GLN H H 59 8.300 7.799 0.501 1 1 596 . 16 1 1 A 59 59 GLN HA H 59 4.090 4.077 0.013 1 1 601 . 16 1 1 A 59 59 GLN C C 59 179.900 178.876 1.024 1 1 602 . 16 1 1 A 59 59 GLN CA C 59 58.900 58.782 0.118 1 1 603 . 16 1 1 A 59 59 GLN CB C 59 28.800 28.560 0.240 1 1 605 . 16 1 1 A 59 59 GLN N N 59 118.600 119.036 -0.436 1 1 606 . 16 1 1 A 60 60 ALA H H 60 7.850 8.025 -0.175 1 1 607 . 16 1 1 A 60 60 ALA HA H 60 3.580 3.936 -0.356 1 1 611 . 16 1 1 A 60 60 ALA C C 60 176.700 179.228 -2.528 1 1 612 . 16 1 1 A 60 60 ALA CA C 60 54.700 53.924 0.776 1 1 613 . 16 1 1 A 60 60 ALA CB C 60 17.400 17.909 -0.509 1 1 614 . 16 1 1 A 60 60 ALA N N 60 122.500 121.641 0.859 1 1 615 . 16 1 1 A 61 61 ALA H H 61 7.540 7.275 0.265 1 1 616 . 16 1 1 A 61 61 ALA HA H 61 3.970 4.280 -0.310 1 1 620 . 16 1 1 A 61 61 ALA C C 61 176.300 177.708 -1.408 1 1 621 . 16 1 1 A 61 61 ALA CA C 61 52.400 51.907 0.493 1 1 622 . 16 1 1 A 61 61 ALA CB C 61 19.100 19.132 -0.032 1 1 623 . 16 1 1 A 61 61 ALA N N 61 113.700 118.037 -4.337 1 1 624 . 16 1 1 A 62 62 GLY H H 62 7.600 7.710 -0.110 1 1 625 . 16 1 1 A 62 62 GLY HA2 H 62 3.890 3.930 -0.040 1 1 626 . 16 1 1 A 62 62 GLY HA3 H 62 3.980 3.937 0.043 1 1 627 . 16 1 1 A 62 62 GLY C C 62 175.400 175.080 0.320 1 1 628 . 16 1 1 A 62 62 GLY CA C 62 45.800 45.851 -0.051 1 1 629 . 16 1 1 A 62 62 GLY N N 62 104.800 106.238 -1.438 1 1 630 . 16 1 1 A 63 63 LEU H H 63 7.770 7.519 0.251 1 1 631 . 16 1 1 A 63 63 LEU HA H 63 4.430 4.447 -0.017 1 1 640 . 16 1 1 A 63 63 LEU C C 63 176.400 175.790 0.610 1 1 641 . 16 1 1 A 63 63 LEU CA C 63 54.000 54.267 -0.267 1 1 642 . 16 1 1 A 63 63 LEU CB C 63 42.500 41.869 0.631 1 1 645 . 16 1 1 A 63 63 LEU N N 63 119.100 118.493 0.607 1 1 646 . 16 1 1 A 64 64 ALA H H 64 8.060 7.686 0.374 1 1 647 . 16 1 1 A 64 64 ALA HA H 64 4.160 4.719 -0.559 1 1 651 . 16 1 1 A 64 64 ALA C C 64 177.300 175.665 1.635 1 1 652 . 16 1 1 A 64 64 ALA CA C 64 52.700 50.768 1.932 1 1 653 . 16 1 1 A 64 64 ALA CB C 64 19.700 20.262 -0.562 1 1 654 . 16 1 1 A 64 64 ALA N N 64 122.900 122.990 -0.090 1 1 655 . 16 1 1 A 65 65 GLU H H 65 8.260 8.806 -0.546 1 1 656 . 16 1 1 A 65 65 GLU C C 65 176.300 176.522 -0.222 1 1 657 . 16 1 1 A 65 65 GLU CA C 65 56.400 54.906 1.494 1 1 658 . 16 1 1 A 65 65 GLU CB C 65 30.100 29.325 0.775 1 1 659 . 16 1 1 A 65 65 GLU N N 65 118.900 124.109 -5.209 1 1 660 . 16 1 1 A 66 66 VAL H H 66 7.960 8.369 -0.409 1 1 661 . 16 1 1 A 66 66 VAL HA H 66 4.020 3.798 0.222 1 1 663 . 16 1 1 A 66 66 VAL C C 66 175.900 177.362 -1.462 1 1 664 . 16 1 1 A 66 66 VAL CA C 66 62.300 65.675 -3.375 1 1 665 . 16 1 1 A 66 66 VAL CB C 66 32.800 31.754 1.046 1 1 666 . 16 1 1 A 66 66 VAL N N 66 121.500 124.810 -3.310 1 1 667 . 16 1 1 A 67 67 VAL H H 67 8.210 7.694 0.516 1 1 668 . 16 1 1 A 67 67 VAL C C 67 175.800 177.584 -1.784 1 1 669 . 16 1 1 A 67 67 VAL CA C 67 62.200 65.182 -2.982 1 1 670 . 16 1 1 A 67 67 VAL CB C 67 32.600 31.421 1.179 1 1 671 . 16 1 1 A 67 67 VAL N N 67 124.900 117.537 7.363 1 1 672 . 16 1 1 A 68 68 ARG H H 68 8.380 7.586 0.794 1 1 673 . 16 1 1 A 68 68 ARG HA H 68 4.270 4.299 -0.029 1 1 674 . 16 1 1 A 68 68 ARG C C 68 175.400 175.990 -0.590 1 1 675 . 16 1 1 A 68 68 ARG CA C 68 55.700 57.425 -1.725 1 1 676 . 16 1 1 A 68 68 ARG CB C 68 31.100 31.184 -0.084 1 1 677 . 16 1 1 A 68 68 ARG N N 68 125.900 119.636 6.264 1 1 678 . 16 1 1 A 69 69 ASP H H 69 8.390 8.123 0.267 1 1 679 . 16 1 1 A 69 69 ASP HA H 69 4.800 4.270 0.530 1 1 682 . 16 1 1 A 69 69 ASP CA C 69 51.700 54.847 -3.147 1 1 683 . 16 1 1 A 69 69 ASP CB C 69 41.700 39.257 2.443 1 1 684 . 16 1 1 A 69 69 ASP N N 69 123.600 119.573 4.027 1 1 685 . 16 1 1 A 70 70 PRO HA H 70 4.290 4.517 -0.227 1 1 688 . 16 1 1 A 70 70 PRO C C 70 177.500 177.710 -0.210 1 1 689 . 16 1 1 A 70 70 PRO CA C 70 64.100 63.170 0.930 1 1 690 . 16 1 1 A 70 70 PRO CB C 70 32.300 31.698 0.602 1 1 691 . 16 1 1 A 71 71 LEU H H 71 8.280 8.859 -0.579 1 1 692 . 16 1 1 A 71 71 LEU HA H 71 4.260 3.987 0.273 1 1 698 . 16 1 1 A 71 71 LEU C C 71 177.600 176.609 0.991 1 1 699 . 16 1 1 A 71 71 LEU CA C 71 55.100 57.519 -2.419 1 1 700 . 16 1 1 A 71 71 LEU CB C 71 41.200 42.313 -1.113 1 1 702 . 16 1 1 A 71 71 LEU N N 71 118.400 120.814 -2.414 1 1 703 . 16 1 1 A 72 72 ALA H H 72 7.660 7.528 0.132 1 1 704 . 16 1 1 A 72 72 ALA HA H 72 4.170 4.391 -0.221 1 1 708 . 16 1 1 A 72 72 ALA C C 72 177.400 176.467 0.933 1 1 709 . 16 1 1 A 72 72 ALA CA C 72 52.600 51.225 1.375 1 1 710 . 16 1 1 A 72 72 ALA CB C 72 19.200 22.727 -3.527 1 1 711 . 16 1 1 A 72 72 ALA N N 72 122.900 116.737 6.163 1 1 712 . 16 1 1 A 73 73 PHE H H 73 7.940 8.624 -0.684 1 1 713 . 16 1 1 A 73 73 PHE HA H 73 4.510 4.608 -0.098 1 1 717 . 16 1 1 A 73 73 PHE C C 73 175.600 174.659 0.941 1 1 718 . 16 1 1 A 73 73 PHE CA C 73 57.800 58.613 -0.813 1 1 719 . 16 1 1 A 73 73 PHE CB C 73 39.100 39.209 -0.109 1 1 720 . 16 1 1 A 73 73 PHE N N 73 118.200 117.195 1.005 1 1 721 . 16 1 1 A 74 74 LEU H H 74 7.890 7.726 0.164 1 1 722 . 16 1 1 A 74 74 LEU CA C 74 55.200 53.535 1.665 1 1 723 . 16 1 1 A 74 74 LEU CB C 74 42.400 44.388 -1.988 1 1 724 . 16 1 1 A 74 74 LEU N N 74 122.600 120.259 2.341 1 1 725 . 16 1 1 A 78 78 GLU C C 78 176.600 176.412 0.188 1 1 726 . 16 1 1 A 78 78 GLU CA C 78 57.500 59.132 -1.632 1 1 727 . 16 1 1 A 78 78 GLU CB C 78 30.100 28.208 1.892 1 1 728 . 16 1 1 A 79 79 ALA H H 79 8.460 8.414 0.046 1 1 729 . 16 1 1 A 79 79 ALA C C 79 178.300 178.753 -0.453 1 1 730 . 16 1 1 A 79 79 ALA CA C 79 52.900 51.293 1.607 1 1 731 . 16 1 1 A 79 79 ALA CB C 79 19.200 19.308 -0.108 1 1 732 . 16 1 1 A 79 79 ALA N N 79 124.700 119.747 4.953 1 1 733 . 16 1 1 A 80 80 GLY H H 80 8.330 8.189 0.141 1 1 734 . 16 1 1 A 80 80 GLY C C 80 174.100 173.933 0.167 1 1 735 . 16 1 1 A 80 80 GLY CA C 80 45.100 46.668 -1.568 1 1 736 . 16 1 1 A 80 80 GLY N N 80 108.200 107.962 0.238 1 1 737 . 16 1 1 A 81 81 ALA H H 81 8.140 8.112 0.028 1 1 738 . 16 1 1 A 81 81 ALA HA H 81 4.170 4.436 -0.266 1 1 739 . 16 1 1 A 81 81 ALA C C 81 178.400 176.767 1.633 1 1 740 . 16 1 1 A 81 81 ALA CA C 81 52.800 50.953 1.847 1 1 741 . 16 1 1 A 81 81 ALA CB C 81 19.200 18.495 0.705 1 1 742 . 16 1 1 A 81 81 ALA N N 81 123.600 124.246 -0.646 1 1 743 . 16 1 1 A 82 82 GLY H H 82 8.400 8.866 -0.466 1 1 744 . 16 1 1 A 82 82 GLY HA2 H 82 3.860 3.930 -0.070 1 1 745 . 16 1 1 A 82 82 GLY HA3 H 82 2.880 3.930 -1.050 1 1 746 . 16 1 1 A 82 82 GLY C C 82 173.600 175.355 -1.755 1 1 747 . 16 1 1 A 82 82 GLY CA C 82 45.200 47.193 -1.993 1 1 748 . 16 1 1 A 82 82 GLY N N 82 108.000 111.783 -3.783 1 1 749 . 16 1 1 A 83 83 ALA H H 83 7.980 8.431 -0.451 1 1 750 . 16 1 1 A 83 83 ALA HA H 83 4.280 4.206 0.074 1 1 754 . 16 1 1 A 83 83 ALA C C 83 177.200 177.282 -0.082 1 1 755 . 16 1 1 A 83 83 ALA CA C 83 52.100 53.890 -1.790 1 1 756 . 16 1 1 A 83 83 ALA CB C 83 19.500 19.541 -0.041 1 1 757 . 16 1 1 A 83 83 ALA N N 83 123.300 124.343 -1.043 1 1 758 . 16 1 1 A 84 84 ARG H H 84 8.240 7.540 0.700 1 1 759 . 16 1 1 A 84 84 ARG HA H 84 4.610 4.908 -0.298 1 1 762 . 16 1 1 A 84 84 ARG CA C 84 54.000 53.022 0.978 1 1 763 . 16 1 1 A 84 84 ARG CB C 84 30.500 32.770 -2.270 1 1 764 . 16 1 1 A 84 84 ARG N N 84 121.700 116.233 5.467 1 1 765 . 16 1 1 A 85 85 PRO HA H 85 4.390 4.644 -0.254 1 1 770 . 16 1 1 A 85 85 PRO C C 85 177.000 177.011 -0.011 1 1 771 . 16 1 1 A 85 85 PRO CA C 85 62.900 62.625 0.275 1 1 772 . 16 1 1 A 85 85 PRO CB C 85 32.200 33.262 -1.062 1 1 773 . 16 1 1 A 86 86 ALA H H 86 8.600 8.723 -0.123 1 1 774 . 16 1 1 A 86 86 ALA HA H 86 4.150 3.995 0.155 1 1 778 . 16 1 1 A 86 86 ALA C C 86 177.800 177.450 0.350 1 1 779 . 16 1 1 A 86 86 ALA CA C 86 53.400 55.066 -1.666 1 1 780 . 16 1 1 A 86 86 ALA CB C 86 18.900 19.152 -0.252 1 1 781 . 16 1 1 A 86 86 ALA N N 86 124.900 124.354 0.546 1 1 782 . 16 1 1 A 87 87 ASN H H 87 8.380 8.008 0.372 1 1 783 . 16 1 1 A 87 87 ASN HA H 87 4.590 4.303 0.287 1 1 786 . 16 1 1 A 87 87 ASN C C 87 174.400 174.716 -0.316 1 1 787 . 16 1 1 A 87 87 ASN CA C 87 52.600 54.449 -1.849 1 1 788 . 16 1 1 A 87 87 ASN CB C 87 38.300 36.720 1.580 1 1 789 . 16 1 1 A 87 87 ASN N N 87 114.900 113.128 1.772 1 1 790 . 16 1 1 A 88 88 ALA H H 88 7.800 7.662 0.138 1 1 791 . 16 1 1 A 88 88 ALA HA H 88 4.400 4.362 0.038 1 1 795 . 16 1 1 A 88 88 ALA CA C 88 50.400 50.961 -0.561 1 1 796 . 16 1 1 A 88 88 ALA CB C 88 17.900 18.775 -0.875 1 1 797 . 16 1 1 A 88 88 ALA N N 88 123.600 120.027 3.573 1 1 798 . 16 1 1 A 89 89 PRO HA H 89 4.390 4.583 -0.193 1 1 805 . 16 1 1 A 89 89 PRO C C 89 175.000 176.683 -1.683 1 1 806 . 16 1 1 A 89 89 PRO CA C 89 62.400 62.737 -0.337 1 1 807 . 16 1 1 A 89 89 PRO CB C 89 31.700 32.972 -1.272 1 1 810 . 16 1 1 A 90 90 GLU H H 90 9.000 9.248 -0.248 1 1 811 . 16 1 1 A 90 90 GLU HA H 90 4.310 4.315 -0.005 1 1 814 . 16 1 1 A 90 90 GLU C C 90 177.300 176.523 0.777 1 1 815 . 16 1 1 A 90 90 GLU CA C 90 58.000 58.787 -0.787 1 1 816 . 16 1 1 A 90 90 GLU CB C 90 31.400 31.723 -0.323 1 1 817 . 16 1 1 A 90 90 GLU N N 90 117.700 119.281 -1.581 1 1 818 . 16 1 1 A 91 91 VAL H H 91 7.310 7.452 -0.142 1 1 819 . 16 1 1 A 91 91 VAL HA H 91 4.570 4.793 -0.223 1 1 827 . 16 1 1 A 91 91 VAL C C 91 171.000 173.101 -2.101 1 1 828 . 16 1 1 A 91 91 VAL CA C 91 59.700 59.883 -0.183 1 1 829 . 16 1 1 A 91 91 VAL CB C 91 35.600 35.659 -0.059 1 1 832 . 16 1 1 A 91 91 VAL N N 91 115.900 117.006 -1.106 1 1 833 . 16 1 1 A 92 92 LEU H H 92 8.700 9.386 -0.686 1 1 834 . 16 1 1 A 92 92 LEU HA H 92 4.950 5.248 -0.298 1 1 844 . 16 1 1 A 92 92 LEU C C 92 174.300 174.492 -0.192 1 1 845 . 16 1 1 A 92 92 LEU CA C 92 52.700 53.309 -0.609 1 1 846 . 16 1 1 A 92 92 LEU CB C 92 44.100 44.794 -0.694 1 1 850 . 16 1 1 A 92 92 LEU N N 92 128.500 129.791 -1.291 1 1 851 . 16 1 1 A 93 93 LEU H H 93 8.770 9.629 -0.859 1 1 852 . 16 1 1 A 93 93 LEU HA H 93 4.910 5.013 -0.103 1 1 862 . 16 1 1 A 93 93 LEU C C 93 174.900 175.534 -0.634 1 1 863 . 16 1 1 A 93 93 LEU CA C 93 52.600 53.537 -0.937 1 1 864 . 16 1 1 A 93 93 LEU CB C 93 44.300 42.087 2.213 1 1 868 . 16 1 1 A 93 93 LEU N N 93 127.300 129.173 -1.873 1 1 869 . 16 1 1 A 94 94 VAL H H 94 8.800 9.316 -0.516 1 1 870 . 16 1 1 A 94 94 VAL HA H 94 4.880 4.428 0.452 1 1 878 . 16 1 1 A 94 94 VAL C C 94 175.000 175.381 -0.381 1 1 879 . 16 1 1 A 94 94 VAL CA C 94 60.000 61.261 -1.261 1 1 880 . 16 1 1 A 94 94 VAL CB C 94 33.900 31.959 1.941 1 1 883 . 16 1 1 A 94 94 VAL N N 94 122.000 125.868 -3.868 1 1 884 . 16 1 1 A 95 95 GLY H H 95 9.730 9.091 0.639 1 1 885 . 16 1 1 A 95 95 GLY HA2 H 95 3.240 3.995 -0.755 1 1 886 . 16 1 1 A 95 95 GLY HA3 H 95 4.940 4.003 0.937 1 1 887 . 16 1 1 A 95 95 GLY C C 95 175.000 175.117 -0.117 1 1 888 . 16 1 1 A 95 95 GLY CA C 95 45.500 46.291 -0.791 1 1 889 . 16 1 1 A 95 95 GLY N N 95 114.000 115.365 -1.365 1 1 890 . 16 1 1 A 96 96 THR H H 96 9.320 9.354 -0.034 1 1 891 . 16 1 1 A 96 96 THR HA H 96 4.210 4.213 -0.003 1 1 896 . 16 1 1 A 96 96 THR C C 96 173.000 174.829 -1.829 1 1 897 . 16 1 1 A 96 96 THR CA C 96 61.800 63.848 -2.048 1 1 898 . 16 1 1 A 96 96 THR CB C 96 67.600 69.319 -1.719 1 1 900 . 16 1 1 A 96 96 THR N N 96 113.800 120.844 -7.044 1 1 901 . 16 1 1 A 97 97 GLY H H 97 8.600 8.187 0.413 1 1 902 . 16 1 1 A 97 97 GLY HA2 H 97 3.580 3.958 -0.378 1 1 903 . 16 1 1 A 97 97 GLY HA3 H 97 4.500 3.967 0.533 1 1 904 . 16 1 1 A 97 97 GLY C C 97 174.800 173.954 0.846 1 1 905 . 16 1 1 A 97 97 GLY CA C 97 44.000 47.076 -3.076 1 1 906 . 16 1 1 A 97 97 GLY N N 97 110.900 109.754 1.146 1 1 907 . 16 1 1 A 98 98 ARG H H 98 9.400 8.101 1.299 1 1 908 . 16 1 1 A 98 98 ARG HA H 98 4.110 4.469 -0.359 1 1 911 . 16 1 1 A 98 98 ARG C C 98 175.700 175.660 0.040 1 1 912 . 16 1 1 A 98 98 ARG CA C 98 58.800 54.922 3.878 1 1 913 . 16 1 1 A 98 98 ARG CB C 98 30.700 28.801 1.899 1 1 914 . 16 1 1 A 98 98 ARG N N 98 125.500 122.998 2.502 1 1 915 . 16 1 1 A 99 99 ARG H H 99 8.180 7.978 0.202 1 1 916 . 16 1 1 A 99 99 ARG HA H 99 4.640 4.399 0.241 1 1 919 . 16 1 1 A 99 99 ARG C C 99 175.000 175.218 -0.218 1 1 920 . 16 1 1 A 99 99 ARG CA C 99 53.100 58.247 -5.147 1 1 921 . 16 1 1 A 99 99 ARG CB C 99 33.200 29.285 3.915 1 1 922 . 16 1 1 A 99 99 ARG N N 99 114.300 121.719 -7.419 1 1 923 . 16 1 1 A 100 100 GLN H H 100 8.710 8.488 0.222 1 1 924 . 16 1 1 A 100 100 GLN HA H 100 3.620 4.450 -0.830 1 1 929 . 16 1 1 A 100 100 GLN C C 100 173.900 175.245 -1.345 1 1 930 . 16 1 1 A 100 100 GLN CA C 100 56.400 56.610 -0.210 1 1 931 . 16 1 1 A 100 100 GLN CB C 100 29.600 29.605 -0.005 1 1 933 . 16 1 1 A 100 100 GLN N N 100 121.700 122.259 -0.559 1 1 934 . 16 1 1 A 101 101 HIS H H 101 7.900 9.082 -1.182 1 1 935 . 16 1 1 A 101 101 HIS HA H 101 4.530 5.018 -0.488 1 1 939 . 16 1 1 A 101 101 HIS C C 101 173.100 174.651 -1.551 1 1 940 . 16 1 1 A 101 101 HIS CA C 101 55.100 54.349 0.751 1 1 941 . 16 1 1 A 101 101 HIS CB C 101 32.100 32.598 -0.498 1 1 942 . 16 1 1 A 101 101 HIS N N 101 130.600 125.392 5.208 1 1 943 . 16 1 1 A 102 102 LEU H H 102 8.080 8.802 -0.722 1 1 944 . 16 1 1 A 102 102 LEU HA H 102 4.060 4.753 -0.693 1 1 948 . 16 1 1 A 102 102 LEU C C 102 177.200 176.253 0.947 1 1 949 . 16 1 1 A 102 102 LEU CA C 102 54.900 54.203 0.697 1 1 950 . 16 1 1 A 102 102 LEU CB C 102 41.600 41.414 0.186 1 1 951 . 16 1 1 A 102 102 LEU N N 102 121.400 124.993 -3.593 1 1 952 . 16 1 1 A 103 103 LEU H H 103 8.260 8.832 -0.572 1 1 953 . 16 1 1 A 103 103 LEU HA H 103 4.490 4.486 0.004 1 1 963 . 16 1 1 A 103 103 LEU C C 103 177.100 177.090 0.010 1 1 964 . 16 1 1 A 103 103 LEU CA C 103 53.400 54.551 -1.151 1 1 965 . 16 1 1 A 103 103 LEU CB C 103 42.600 42.310 0.290 1 1 969 . 16 1 1 A 103 103 LEU N N 103 123.000 126.548 -3.548 1 1 970 . 16 1 1 A 104 104 GLY H H 104 8.820 8.625 0.195 1 1 971 . 16 1 1 A 104 104 GLY HA2 H 104 3.930 4.261 -0.331 1 1 972 . 16 1 1 A 104 104 GLY HA3 H 104 4.440 4.262 0.178 1 1 973 . 16 1 1 A 104 104 GLY CA C 104 44.500 43.939 0.561 1 1 974 . 16 1 1 A 104 104 GLY N N 104 110.200 107.900 2.300 1 1 975 . 16 1 1 A 105 105 PRO HA H 105 4.230 4.243 -0.013 1 1 978 . 16 1 1 A 105 105 PRO C C 105 178.900 178.914 -0.014 1 1 979 . 16 1 1 A 105 105 PRO CA C 105 65.200 65.235 -0.035 1 1 980 . 16 1 1 A 105 105 PRO CB C 105 31.900 31.727 0.173 1 1 981 . 16 1 1 A 106 106 GLU H H 106 9.150 8.526 0.624 1 1 982 . 16 1 1 A 106 106 GLU HA H 106 4.080 4.038 0.042 1 1 987 . 16 1 1 A 106 106 GLU C C 106 178.500 178.500 0.000 1 1 988 . 16 1 1 A 106 106 GLU CA C 106 58.600 59.203 -0.603 1 1 989 . 16 1 1 A 106 106 GLU CB C 106 28.500 28.879 -0.379 1 1 991 . 16 1 1 A 106 106 GLU N N 106 115.400 117.142 -1.742 1 1 992 . 16 1 1 A 107 107 GLN H H 107 7.680 7.972 -0.292 1 1 993 . 16 1 1 A 107 107 GLN HA H 107 4.160 4.213 -0.053 1 1 998 . 16 1 1 A 107 107 GLN C C 107 175.200 177.240 -2.040 1 1 999 . 16 1 1 A 107 107 GLN CA C 107 58.500 56.921 1.579 1 1 1000 . 16 1 1 A 107 107 GLN CB C 107 29.400 28.840 0.560 1 1 1002 . 16 1 1 A 107 107 GLN N N 107 116.100 116.691 -0.591 1 1 1003 . 16 1 1 A 108 108 VAL H H 108 7.080 7.385 -0.305 1 1 1004 . 16 1 1 A 108 108 VAL HA H 108 4.270 4.561 -0.291 1 1 1012 . 16 1 1 A 108 108 VAL C C 108 177.500 176.848 0.652 1 1 1013 . 16 1 1 A 108 108 VAL CA C 108 62.000 61.032 0.968 1 1 1014 . 16 1 1 A 108 108 VAL CB C 108 33.000 32.008 0.992 1 1 1017 . 16 1 1 A 108 108 VAL N N 108 104.800 111.573 -6.773 1 1 1018 . 16 1 1 A 109 109 ARG H H 109 8.220 7.667 0.553 1 1 1019 . 16 1 1 A 109 109 ARG HA H 109 4.060 4.102 -0.042 1 1 1024 . 16 1 1 A 109 109 ARG CA C 109 61.700 61.146 0.554 1 1 1025 . 16 1 1 A 109 109 ARG CB C 109 27.600 29.022 -1.422 1 1 1027 . 16 1 1 A 109 109 ARG N N 109 123.100 123.205 -0.105 1 1 1028 . 16 1 1 A 110 110 PRO HA H 110 4.290 4.333 -0.043 1 1 1035 . 16 1 1 A 110 110 PRO C C 110 173.000 179.305 -6.305 1 1 1036 . 16 1 1 A 110 110 PRO CA C 110 65.800 65.935 -0.135 1 1 1037 . 16 1 1 A 110 110 PRO CB C 110 31.400 30.954 0.446 1 1 1040 . 16 1 1 A 111 111 LEU H H 111 7.080 7.659 -0.579 1 1 1041 . 16 1 1 A 111 111 LEU HA H 111 4.050 4.039 0.011 1 1 1051 . 16 1 1 A 111 111 LEU C C 111 178.800 179.138 -0.338 1 1 1052 . 16 1 1 A 111 111 LEU CA C 111 57.400 57.557 -0.157 1 1 1053 . 16 1 1 A 111 111 LEU CB C 111 40.100 41.559 -1.459 1 1 1056 . 16 1 1 A 111 111 LEU N N 111 117.700 117.178 0.522 1 1 1057 . 16 1 1 A 112 112 LEU H H 112 7.950 8.561 -0.611 1 1 1058 . 16 1 1 A 112 112 LEU HA H 112 4.050 3.958 0.092 1 1 1068 . 16 1 1 A 112 112 LEU C C 112 169.000 179.534 -10.534 1 1 1069 . 16 1 1 A 112 112 LEU CA C 112 58.000 57.940 0.060 1 1 1070 . 16 1 1 A 112 112 LEU CB C 112 41.100 40.910 0.190 1 1 1074 . 16 1 1 A 112 112 LEU N N 112 121.700 118.790 2.910 1 1 1075 . 16 1 1 A 113 113 ALA H H 113 8.230 8.276 -0.046 1 1 1076 . 16 1 1 A 113 113 ALA HA H 113 4.110 4.119 -0.009 1 1 1080 . 16 1 1 A 113 113 ALA C C 113 178.700 179.128 -0.428 1 1 1081 . 16 1 1 A 113 113 ALA CA C 113 54.400 54.923 -0.523 1 1 1082 . 16 1 1 A 113 113 ALA CB C 113 18.100 18.248 -0.148 1 1 1083 . 16 1 1 A 113 113 ALA N N 113 120.900 122.751 -1.851 1 1 1084 . 16 1 1 A 114 114 MET H H 114 7.270 7.756 -0.486 1 1 1085 . 16 1 1 A 114 114 MET HA H 114 4.490 4.513 -0.023 1 1 1093 . 16 1 1 A 114 114 MET C C 114 175.100 176.566 -1.466 1 1 1094 . 16 1 1 A 114 114 MET CA C 114 55.100 55.845 -0.745 1 1 1095 . 16 1 1 A 114 114 MET CB C 114 33.700 33.304 0.396 1 1 1098 . 16 1 1 A 114 114 MET N N 114 115.100 115.552 -0.452 1 1 1099 . 16 1 1 A 115 115 GLY H H 115 7.830 7.784 0.046 1 1 1100 . 16 1 1 A 115 115 GLY HA2 H 115 3.660 3.977 -0.317 1 1 1101 . 16 1 1 A 115 115 GLY HA3 H 115 4.060 3.977 0.083 1 1 1102 . 16 1 1 A 115 115 GLY C C 115 173.700 174.354 -0.654 1 1 1103 . 16 1 1 A 115 115 GLY CA C 115 45.600 44.952 0.648 1 1 1104 . 16 1 1 A 115 115 GLY N N 115 106.300 106.042 0.258 1 1 1105 . 16 1 1 A 116 116 VAL H H 116 7.710 7.815 -0.105 1 1 1106 . 16 1 1 A 116 116 VAL HA H 116 3.820 3.981 -0.161 1 1 1114 . 16 1 1 A 116 116 VAL C C 116 174.800 175.554 -0.754 1 1 1115 . 16 1 1 A 116 116 VAL CA C 116 61.200 62.682 -1.482 1 1 1116 . 16 1 1 A 116 116 VAL CB C 116 32.800 31.409 1.391 1 1 1119 . 16 1 1 A 116 116 VAL N N 116 123.600 122.485 1.115 1 1 1120 . 16 1 1 A 117 117 GLY H H 117 7.730 9.059 -1.329 1 1 1121 . 16 1 1 A 117 117 GLY HA2 H 117 3.570 3.992 -0.422 1 1 1122 . 16 1 1 A 117 117 GLY HA3 H 117 4.040 3.993 0.047 1 1 1123 . 16 1 1 A 117 117 GLY C C 117 172.600 173.114 -0.514 1 1 1124 . 16 1 1 A 117 117 GLY CA C 117 45.500 45.587 -0.087 1 1 1125 . 16 1 1 A 117 117 GLY N N 117 111.400 114.936 -3.536 1 1 1126 . 16 1 1 A 118 118 VAL H H 118 7.740 8.797 -1.057 1 1 1127 . 16 1 1 A 118 118 VAL HA H 118 5.100 4.474 0.626 1 1 1135 . 16 1 1 A 118 118 VAL C C 118 175.500 175.378 0.122 1 1 1136 . 16 1 1 A 118 118 VAL CA C 118 61.000 62.548 -1.548 1 1 1137 . 16 1 1 A 118 118 VAL CB C 118 34.300 31.510 2.790 1 1 1140 . 16 1 1 A 118 118 VAL N N 118 120.900 127.083 -6.183 1 1 1141 . 16 1 1 A 119 119 GLU H H 119 8.490 9.386 -0.896 1 1 1142 . 16 1 1 A 119 119 GLU HA H 119 4.630 4.939 -0.309 1 1 1147 . 16 1 1 A 119 119 GLU C C 119 173.500 175.500 -2.000 1 1 1148 . 16 1 1 A 119 119 GLU CA C 119 54.600 54.801 -0.201 1 1 1149 . 16 1 1 A 119 119 GLU CB C 119 32.300 31.840 0.460 1 1 1151 . 16 1 1 A 119 119 GLU N N 119 127.000 127.244 -0.244 1 1 1152 . 16 1 1 A 120 120 ALA H H 120 8.600 8.973 -0.373 1 1 1153 . 16 1 1 A 120 120 ALA HA H 120 5.530 5.342 0.188 1 1 1157 . 16 1 1 A 120 120 ALA C C 120 177.100 176.657 0.443 1 1 1158 . 16 1 1 A 120 120 ALA CA C 120 50.300 50.574 -0.274 1 1 1159 . 16 1 1 A 120 120 ALA CB C 120 20.800 20.683 0.117 1 1 1160 . 16 1 1 A 120 120 ALA N N 120 126.500 128.743 -2.243 1 1 1161 . 16 1 1 A 121 121 MET H H 121 9.430 8.976 0.454 1 1 1162 . 16 1 1 A 121 121 MET HA H 121 4.630 5.035 -0.405 1 1 1170 . 16 1 1 A 121 121 MET C C 121 173.300 175.212 -1.912 1 1 1171 . 16 1 1 A 121 121 MET CA C 121 54.600 54.212 0.388 1 1 1172 . 16 1 1 A 121 121 MET CB C 121 36.800 37.380 -0.580 1 1 1175 . 16 1 1 A 121 121 MET N N 121 120.400 121.401 -1.001 1 1 1176 . 16 1 1 A 122 122 ASP H H 122 8.460 8.799 -0.339 1 1 1177 . 16 1 1 A 122 122 ASP HA H 122 4.170 4.718 -0.548 1 1 1180 . 16 1 1 A 122 122 ASP C C 122 175.200 177.803 -2.603 1 1 1181 . 16 1 1 A 122 122 ASP CA C 122 55.000 54.638 0.362 1 1 1182 . 16 1 1 A 122 122 ASP CB C 122 41.000 41.758 -0.758 1 1 1183 . 16 1 1 A 122 122 ASP N N 122 116.700 120.432 -3.732 1 1 1184 . 16 1 1 A 123 123 THR H H 123 9.580 8.774 0.806 1 1 1185 . 16 1 1 A 123 123 THR HA H 123 3.670 3.906 -0.236 1 1 1191 . 16 1 1 A 123 123 THR C C 123 174.400 176.143 -1.743 1 1 1192 . 16 1 1 A 123 123 THR CA C 123 68.700 67.056 1.644 1 1 1193 . 16 1 1 A 123 123 THR CB C 123 68.800 68.898 -0.098 1 1 1195 . 16 1 1 A 123 123 THR N N 123 119.600 117.078 2.522 1 1 1196 . 16 1 1 A 124 124 GLN H H 124 8.580 7.949 0.631 1 1 1197 . 16 1 1 A 124 124 GLN HA H 124 3.240 3.981 -0.741 1 1 1202 . 16 1 1 A 124 124 GLN C C 124 177.700 177.689 0.011 1 1 1203 . 16 1 1 A 124 124 GLN CA C 124 60.100 58.395 1.705 1 1 1204 . 16 1 1 A 124 124 GLN CB C 124 27.400 28.680 -1.280 1 1 1206 . 16 1 1 A 124 124 GLN N N 124 121.500 121.998 -0.498 1 1 1207 . 16 1 1 A 125 125 ALA H H 125 8.210 8.018 0.192 1 1 1208 . 16 1 1 A 125 125 ALA HA H 125 3.960 4.163 -0.203 1 1 1212 . 16 1 1 A 125 125 ALA C C 125 167.800 180.277 -12.477 1 1 1213 . 16 1 1 A 125 125 ALA CA C 125 54.800 55.066 -0.266 1 1 1214 . 16 1 1 A 125 125 ALA CB C 125 18.700 17.938 0.762 1 1 1215 . 16 1 1 A 125 125 ALA N N 125 122.600 121.279 1.321 1 1 1216 . 16 1 1 A 126 126 ALA H H 126 8.900 8.292 0.608 1 1 1217 . 16 1 1 A 126 126 ALA HA H 126 4.110 4.108 0.002 1 1 1221 . 16 1 1 A 126 126 ALA C C 126 178.500 179.179 -0.679 1 1 1222 . 16 1 1 A 126 126 ALA CA C 126 55.300 55.120 0.180 1 1 1223 . 16 1 1 A 126 126 ALA CB C 126 18.100 18.667 -0.567 1 1 1224 . 16 1 1 A 126 126 ALA N N 126 124.600 120.006 4.594 1 1 1225 . 16 1 1 A 127 127 ALA H H 127 8.440 8.151 0.289 1 1 1226 . 16 1 1 A 127 127 ALA HA H 127 3.850 4.141 -0.291 1 1 1230 . 16 1 1 A 127 127 ALA C C 127 178.400 179.521 -1.121 1 1 1231 . 16 1 1 A 127 127 ALA CA C 127 55.500 55.311 0.189 1 1 1232 . 16 1 1 A 127 127 ALA CB C 127 18.500 18.252 0.248 1 1 1233 . 16 1 1 A 127 127 ALA N N 127 120.200 120.421 -0.221 1 1 1234 . 16 1 1 A 128 128 ARG H H 128 7.790 7.938 -0.148 1 1 1235 . 16 1 1 A 128 128 ARG HA H 128 4.020 4.053 -0.033 1 1 1240 . 16 1 1 A 128 128 ARG C C 128 179.400 179.069 0.331 1 1 1241 . 16 1 1 A 128 128 ARG CA C 128 59.600 59.655 -0.055 1 1 1242 . 16 1 1 A 128 128 ARG CB C 128 30.800 29.590 1.210 1 1 1244 . 16 1 1 A 128 128 ARG N N 128 115.900 119.567 -3.667 1 1 1245 . 16 1 1 A 129 129 THR H H 129 8.440 7.974 0.466 1 1 1246 . 16 1 1 A 129 129 THR HA H 129 3.770 3.984 -0.214 1 1 1251 . 16 1 1 A 129 129 THR C C 129 175.300 175.995 -0.695 1 1 1252 . 16 1 1 A 129 129 THR CA C 129 67.300 66.428 0.872 1 1 1253 . 16 1 1 A 129 129 THR CB C 129 68.300 68.523 -0.223 1 1 1255 . 16 1 1 A 129 129 THR N N 129 116.400 115.194 1.206 1 1 1256 . 16 1 1 A 130 130 TYR H H 130 8.790 8.418 0.372 1 1 1257 . 16 1 1 A 130 130 TYR HA H 130 3.600 4.163 -0.563 1 1 1262 . 16 1 1 A 130 130 TYR C C 130 175.500 177.270 -1.770 1 1 1263 . 16 1 1 A 130 130 TYR CA C 130 62.600 61.981 0.619 1 1 1264 . 16 1 1 A 130 130 TYR CB C 130 37.500 38.507 -1.007 1 1 1265 . 16 1 1 A 130 130 TYR N N 130 123.500 122.960 0.540 1 1 1266 . 16 1 1 A 131 131 ASN H H 131 7.800 8.414 -0.614 1 1 1267 . 16 1 1 A 131 131 ASN HA H 131 4.220 4.260 -0.040 1 1 1270 . 16 1 1 A 131 131 ASN C C 131 179.200 177.894 1.306 1 1 1271 . 16 1 1 A 131 131 ASN CA C 131 55.500 56.529 -1.029 1 1 1272 . 16 1 1 A 131 131 ASN CB C 131 37.100 39.228 -2.128 1 1 1273 . 16 1 1 A 131 131 ASN N N 131 117.700 117.560 0.140 1 1 1274 . 16 1 1 A 132 132 ILE H H 132 7.520 7.883 -0.363 1 1 1275 . 16 1 1 A 132 132 ILE HA H 132 3.710 3.583 0.127 1 1 1285 . 16 1 1 A 132 132 ILE C C 132 178.100 178.047 0.053 1 1 1286 . 16 1 1 A 132 132 ILE CA C 132 64.900 65.887 -0.987 1 1 1287 . 16 1 1 A 132 132 ILE CB C 132 38.500 38.645 -0.145 1 1 1291 . 16 1 1 A 132 132 ILE N N 132 121.000 118.714 2.286 1 1 1292 . 16 1 1 A 133 133 LEU H H 133 8.420 8.075 0.345 1 1 1293 . 16 1 1 A 133 133 LEU HA H 133 3.910 3.983 -0.073 1 1 1303 . 16 1 1 A 133 133 LEU C C 133 179.600 179.470 0.130 1 1 1304 . 16 1 1 A 133 133 LEU CA C 133 57.900 57.911 -0.011 1 1 1305 . 16 1 1 A 133 133 LEU CB C 133 41.700 40.966 0.734 1 1 1309 . 16 1 1 A 133 133 LEU N N 133 120.500 118.147 2.353 1 1 1310 . 16 1 1 A 134 134 MET H H 134 8.990 8.529 0.461 1 1 1311 . 16 1 1 A 134 134 MET HA H 134 3.870 4.075 -0.205 1 1 1319 . 16 1 1 A 134 134 MET C C 134 167.400 177.840 -10.440 1 1 1320 . 16 1 1 A 134 134 MET CA C 134 58.400 58.231 0.169 1 1 1321 . 16 1 1 A 134 134 MET CB C 134 30.700 31.907 -1.207 1 1 1324 . 16 1 1 A 134 134 MET N N 134 119.900 118.619 1.281 1 1 1325 . 16 1 1 A 135 135 ALA H H 135 7.490 7.861 -0.371 1 1 1326 . 16 1 1 A 135 135 ALA HA H 135 4.060 3.880 0.180 1 1 1330 . 16 1 1 A 135 135 ALA C C 135 179.100 179.125 -0.025 1 1 1331 . 16 1 1 A 135 135 ALA CA C 135 54.700 55.423 -0.723 1 1 1332 . 16 1 1 A 135 135 ALA CB C 135 18.000 17.586 0.414 1 1 1333 . 16 1 1 A 135 135 ALA N N 135 124.600 121.235 3.365 1 1 1334 . 16 1 1 A 136 136 GLU H H 136 7.540 8.084 -0.544 1 1 1335 . 16 1 1 A 136 136 GLU HA H 136 4.230 4.212 0.018 1 1 1340 . 16 1 1 A 136 136 GLU C C 136 176.900 176.576 0.324 1 1 1341 . 16 1 1 A 136 136 GLU CA C 136 56.400 58.013 -1.613 1 1 1342 . 16 1 1 A 136 136 GLU CB C 136 30.300 30.167 0.133 1 1 1344 . 16 1 1 A 136 136 GLU N N 136 116.500 117.351 -0.851 1 1 1345 . 16 1 1 A 137 137 GLY H H 137 7.870 8.197 -0.327 1 1 1346 . 16 1 1 A 137 137 GLY HA2 H 137 3.760 3.912 -0.152 1 1 1347 . 16 1 1 A 137 137 GLY HA3 H 137 4.140 3.921 0.219 1 1 1348 . 16 1 1 A 137 137 GLY C C 137 175.100 174.271 0.829 1 1 1349 . 16 1 1 A 137 137 GLY CA C 137 45.600 45.883 -0.283 1 1 1350 . 16 1 1 A 137 137 GLY N N 137 107.100 107.820 -0.720 1 1 1351 . 16 1 1 A 138 138 ARG H H 138 7.580 7.870 -0.290 1 1 1352 . 16 1 1 A 138 138 ARG HA H 138 4.270 4.644 -0.374 1 1 1357 . 16 1 1 A 138 138 ARG C C 138 176.900 175.586 1.314 1 1 1358 . 16 1 1 A 138 138 ARG CA C 138 54.500 54.814 -0.314 1 1 1359 . 16 1 1 A 138 138 ARG CB C 138 30.100 32.065 -1.965 1 1 1361 . 16 1 1 A 138 138 ARG N N 138 118.100 121.017 -2.917 1 1 1362 . 16 1 1 A 139 139 ARG H H 139 9.240 8.662 0.578 1 1 1363 . 16 1 1 A 139 139 ARG HA H 139 4.470 4.404 0.066 1 1 1370 . 16 1 1 A 139 139 ARG C C 139 174.400 175.130 -0.730 1 1 1371 . 16 1 1 A 139 139 ARG CA C 139 55.700 56.211 -0.511 1 1 1372 . 16 1 1 A 139 139 ARG CB C 139 28.000 28.899 -0.899 1 1 1375 . 16 1 1 A 139 139 ARG N N 139 124.400 123.632 0.768 1 1 1376 . 16 1 1 A 140 140 VAL H H 140 7.250 8.757 -1.507 1 1 1377 . 16 1 1 A 140 140 VAL HA H 140 5.180 5.112 0.068 1 1 1385 . 16 1 1 A 140 140 VAL C C 140 172.800 173.904 -1.104 1 1 1386 . 16 1 1 A 140 140 VAL CA C 140 57.700 60.026 -2.326 1 1 1387 . 16 1 1 A 140 140 VAL CB C 140 34.700 34.382 0.318 1 1 1390 . 16 1 1 A 140 140 VAL N N 140 121.900 124.303 -2.403 1 1 1391 . 16 1 1 A 141 141 VAL H H 141 8.180 8.806 -0.626 1 1 1392 . 16 1 1 A 141 141 VAL HA H 141 4.510 4.818 -0.308 1 1 1400 . 16 1 1 A 141 141 VAL C C 141 172.600 174.118 -1.518 1 1 1401 . 16 1 1 A 141 141 VAL CA C 141 60.300 60.693 -0.393 1 1 1402 . 16 1 1 A 141 141 VAL CB C 141 35.600 34.370 1.230 1 1 1405 . 16 1 1 A 141 141 VAL N N 141 123.900 128.190 -4.290 1 1 1406 . 16 1 1 A 142 142 VAL H H 142 8.430 8.449 -0.019 1 1 1407 . 16 1 1 A 142 142 VAL HA H 142 5.220 4.833 0.387 1 1 1415 . 16 1 1 A 142 142 VAL C C 142 170.000 172.640 -2.640 1 1 1416 . 16 1 1 A 142 142 VAL CA C 142 57.600 58.924 -1.324 1 1 1417 . 16 1 1 A 142 142 VAL CB C 142 35.500 33.806 1.694 1 1 1420 . 16 1 1 A 142 142 VAL N N 142 124.600 127.779 -3.179 1 1 1421 . 16 1 1 A 143 143 ALA H H 143 8.220 8.910 -0.690 1 1 1422 . 16 1 1 A 143 143 ALA HA H 143 4.680 4.998 -0.318 1 1 1426 . 16 1 1 A 143 143 ALA C C 143 175.400 175.435 -0.035 1 1 1427 . 16 1 1 A 143 143 ALA CA C 143 49.900 49.852 0.048 1 1 1428 . 16 1 1 A 143 143 ALA CB C 143 19.600 20.794 -1.194 1 1 1429 . 16 1 1 A 143 143 ALA N N 143 129.100 130.017 -0.917 1 1 1430 . 16 1 1 A 144 144 LEU H H 144 9.070 9.300 -0.230 1 1 1431 . 16 1 1 A 144 144 LEU HA H 144 4.840 5.041 -0.201 1 1 1441 . 16 1 1 A 144 144 LEU CA C 144 53.400 53.494 -0.094 1 1 1442 . 16 1 1 A 144 144 LEU CB C 144 46.500 43.038 3.462 1 1 1445 . 16 1 1 A 144 144 LEU N N 144 119.600 123.834 -4.234 1 1 1446 . 16 1 1 A 145 145 LEU HA H 145 4.830 4.881 -0.051 1 1 1456 . 16 1 1 A 145 145 LEU CA C 145 51.800 51.097 0.703 1 1 1457 . 16 1 1 A 145 145 LEU CB C 145 41.700 42.908 -1.208 1 1 1461 . 16 1 1 A 146 146 PRO HA H 146 4.330 4.922 -0.592 1 1 1466 . 16 1 1 A 146 146 PRO C C 146 175.700 176.368 -0.668 1 1 1467 . 16 1 1 A 146 146 PRO CA C 146 62.800 62.319 0.481 1 1 1468 . 16 1 1 A 146 146 PRO CB C 146 31.500 31.650 -0.150 1 1 1470 . 16 1 1 A 147 147 ASP H H 147 8.660 8.692 -0.032 1 1 1471 . 16 1 1 A 147 147 ASP HA H 147 4.510 4.505 0.005 1 1 1474 . 16 1 1 A 147 147 ASP C C 147 176.300 176.420 -0.120 1 1 1475 . 16 1 1 A 147 147 ASP CA C 147 54.300 55.369 -1.069 1 1 1476 . 16 1 1 A 147 147 ASP CB C 147 42.100 40.842 1.258 1 1 1477 . 16 1 1 A 147 147 ASP N N 147 120.700 123.390 -2.690 1 1 1478 . 16 1 1 A 148 148 GLY H H 148 8.310 8.477 -0.167 1 1 1479 . 16 1 1 A 148 148 GLY HA2 H 148 4.020 4.074 -0.054 1 1 1480 . 16 1 1 A 148 148 GLY HA3 H 148 4.050 4.081 -0.031 1 1 1481 . 16 1 1 A 148 148 GLY C C 148 173.600 174.742 -1.142 1 1 1482 . 16 1 1 A 148 148 GLY CA C 148 45.200 45.450 -0.250 1 1 1483 . 16 1 1 A 148 148 GLY N N 148 109.400 112.620 -3.220 1 1 1484 . 16 1 1 A 149 149 ASP H H 149 8.550 8.380 0.170 1 1 1485 . 16 1 1 A 149 149 ASP HA H 149 4.650 4.444 0.206 1 1 1488 . 16 1 1 A 149 149 ASP C C 149 176.700 176.336 0.364 1 1 1489 . 16 1 1 A 149 149 ASP CA C 149 54.500 54.957 -0.457 1 1 1490 . 16 1 1 A 149 149 ASP CB C 149 41.600 39.197 2.403 1 1 1491 . 16 1 1 A 149 149 ASP N N 149 120.800 120.558 0.242 1 1 1492 . 16 1 1 A 150 150 SER H H 150 8.600 7.935 0.665 1 1 1493 . 16 1 1 A 150 150 SER HA H 150 4.350 4.435 -0.085 1 1 1496 . 16 1 1 A 150 150 SER C C 150 175.000 174.912 0.088 1 1 1497 . 16 1 1 A 150 150 SER CA C 150 58.900 61.080 -2.180 1 1 1498 . 16 1 1 A 150 150 SER CB C 150 63.500 63.735 -0.235 1 1 1499 . 16 1 1 A 150 150 SER N N 150 116.400 113.091 3.309 1 1 1500 . 16 1 1 A 151 151 LEU H H 151 8.290 7.592 0.698 1 1 1501 . 16 1 1 A 151 151 LEU CA C 151 55.500 54.533 0.967 1 1 1502 . 16 1 1 A 151 151 LEU CB C 151 41.900 40.962 0.938 1 1 5 . 17 1 1 A 4 4 HIS C C 4 174.800 176.983 -2.183 1 1 6 . 17 1 1 A 4 4 HIS CA C 4 55.900 57.600 -1.700 1 1 7 . 17 1 1 A 4 4 HIS CB C 4 30.000 31.447 -1.447 1 1 8 . 17 1 1 A 5 5 THR H H 5 7.990 7.980 0.010 1 1 9 . 17 1 1 A 5 5 THR C C 5 173.800 174.523 -0.723 1 1 10 . 17 1 1 A 5 5 THR CA C 5 61.500 65.069 -3.569 1 1 11 . 17 1 1 A 5 5 THR CB C 5 69.900 68.927 0.973 1 1 12 . 17 1 1 A 5 5 THR N N 5 115.300 112.044 3.256 1 1 13 . 17 1 1 A 6 6 ASP H H 6 8.370 7.953 0.417 1 1 14 . 17 1 1 A 6 6 ASP HA H 6 4.860 4.860 0.000 1 1 17 . 17 1 1 A 6 6 ASP CA C 6 52.500 50.302 2.198 1 1 18 . 17 1 1 A 6 6 ASP CB C 6 41.100 41.452 -0.352 1 1 19 . 17 1 1 A 6 6 ASP N N 6 124.400 121.405 2.995 1 1 20 . 17 1 1 A 7 7 PRO HA H 7 4.350 4.447 -0.097 1 1 26 . 17 1 1 A 7 7 PRO C C 7 176.900 175.774 1.126 1 1 27 . 17 1 1 A 7 7 PRO CA C 7 63.500 62.869 0.631 1 1 28 . 17 1 1 A 7 7 PRO CB C 7 32.100 32.093 0.007 1 1 31 . 17 1 1 A 8 8 ALA H H 8 8.420 8.457 -0.037 1 1 32 . 17 1 1 A 8 8 ALA HA H 8 4.260 4.720 -0.460 1 1 36 . 17 1 1 A 8 8 ALA C C 8 178.100 176.375 1.725 1 1 37 . 17 1 1 A 8 8 ALA CA C 8 52.900 50.594 2.306 1 1 38 . 17 1 1 A 8 8 ALA CB C 8 19.200 20.690 -1.490 1 1 39 . 17 1 1 A 8 8 ALA N N 8 122.700 125.889 -3.189 1 1 40 . 17 1 1 A 9 9 THR H H 9 7.880 8.918 -1.038 1 1 41 . 17 1 1 A 9 9 THR HA H 9 4.230 4.149 0.081 1 1 46 . 17 1 1 A 9 9 THR C C 9 173.800 175.484 -1.684 1 1 47 . 17 1 1 A 9 9 THR CA C 9 61.700 64.626 -2.926 1 1 48 . 17 1 1 A 9 9 THR CB C 9 69.700 68.909 0.791 1 1 50 . 17 1 1 A 9 9 THR N N 9 112.900 120.332 -7.432 1 1 51 . 17 1 1 A 10 10 ALA H H 10 8.160 8.698 -0.538 1 1 52 . 17 1 1 A 10 10 ALA HA H 10 4.340 4.126 0.214 1 1 56 . 17 1 1 A 10 10 ALA C C 10 177.000 177.012 -0.012 1 1 57 . 17 1 1 A 10 10 ALA CA C 10 52.300 54.487 -2.187 1 1 58 . 17 1 1 A 10 10 ALA CB C 10 19.400 18.821 0.579 1 1 59 . 17 1 1 A 10 10 ALA N N 10 127.000 127.624 -0.624 1 1 60 . 17 1 1 A 11 11 LEU H H 11 8.040 7.557 0.483 1 1 61 . 17 1 1 A 11 11 LEU HA H 11 4.640 4.790 -0.150 1 1 70 . 17 1 1 A 11 11 LEU C C 11 178.300 175.565 2.735 1 1 71 . 17 1 1 A 11 11 LEU CA C 11 54.000 53.627 0.373 1 1 72 . 17 1 1 A 11 11 LEU CB C 11 42.900 44.932 -2.032 1 1 75 . 17 1 1 A 11 11 LEU N N 11 121.500 118.563 2.937 1 1 76 . 17 1 1 A 12 12 ASN H H 12 9.700 9.109 0.591 1 1 77 . 17 1 1 A 12 12 ASN HA H 12 4.760 5.011 -0.251 1 1 80 . 17 1 1 A 12 12 ASN C C 12 174.700 174.250 0.450 1 1 81 . 17 1 1 A 12 12 ASN CA C 12 54.100 53.166 0.934 1 1 82 . 17 1 1 A 12 12 ASN CB C 12 38.100 39.176 -1.076 1 1 83 . 17 1 1 A 12 12 ASN N N 12 121.500 126.586 -5.086 1 1 84 . 17 1 1 A 13 13 THR H H 13 8.710 8.299 0.411 1 1 85 . 17 1 1 A 13 13 THR HA H 13 4.760 4.918 -0.158 1 1 90 . 17 1 1 A 13 13 THR C C 13 173.600 173.265 0.335 1 1 91 . 17 1 1 A 13 13 THR CA C 13 61.900 61.473 0.427 1 1 92 . 17 1 1 A 13 13 THR CB C 13 71.500 72.658 -1.158 1 1 94 . 17 1 1 A 13 13 THR N N 13 121.800 121.398 0.402 1 1 95 . 17 1 1 A 14 14 VAL H H 14 9.500 9.156 0.344 1 1 96 . 17 1 1 A 14 14 VAL HA H 14 4.660 4.032 0.628 1 1 104 . 17 1 1 A 14 14 VAL C C 14 177.000 175.831 1.169 1 1 105 . 17 1 1 A 14 14 VAL CA C 14 63.800 63.523 0.277 1 1 106 . 17 1 1 A 14 14 VAL CB C 14 30.600 31.319 -0.719 1 1 109 . 17 1 1 A 14 14 VAL N N 14 126.700 125.888 0.812 1 1 110 . 17 1 1 A 15 15 THR H H 15 8.900 9.109 -0.209 1 1 111 . 17 1 1 A 15 15 THR HA H 15 4.300 4.453 -0.153 1 1 116 . 17 1 1 A 15 15 THR C C 15 174.900 175.096 -0.196 1 1 117 . 17 1 1 A 15 15 THR CA C 15 62.800 63.476 -0.676 1 1 118 . 17 1 1 A 15 15 THR CB C 15 68.700 69.273 -0.573 1 1 120 . 17 1 1 A 15 15 THR N N 15 122.000 122.340 -0.340 1 1 121 . 17 1 1 A 16 16 ALA H H 16 7.960 7.386 0.574 1 1 122 . 17 1 1 A 16 16 ALA HA H 16 4.360 4.729 -0.369 1 1 126 . 17 1 1 A 16 16 ALA C C 16 174.400 175.096 -0.696 1 1 127 . 17 1 1 A 16 16 ALA CA C 16 52.600 51.604 0.996 1 1 128 . 17 1 1 A 16 16 ALA CB C 16 21.900 21.335 0.565 1 1 129 . 17 1 1 A 16 16 ALA N N 16 120.900 120.094 0.806 1 1 130 . 17 1 1 A 17 17 TYR H H 17 7.790 9.165 -1.375 1 1 131 . 17 1 1 A 17 17 TYR HA H 17 4.390 5.353 -0.963 1 1 136 . 17 1 1 A 17 17 TYR C C 17 173.000 174.317 -1.317 1 1 137 . 17 1 1 A 17 17 TYR CA C 17 56.400 55.693 0.707 1 1 138 . 17 1 1 A 17 17 TYR CB C 17 39.700 40.967 -1.267 1 1 141 . 17 1 1 A 17 17 TYR N N 17 114.800 125.725 -10.925 1 1 142 . 17 1 1 A 18 18 GLY H H 18 7.030 7.992 -0.962 1 1 143 . 17 1 1 A 18 18 GLY HA2 H 18 3.210 3.551 -0.341 1 1 144 . 17 1 1 A 18 18 GLY HA3 H 18 3.900 3.928 -0.028 1 1 145 . 17 1 1 A 18 18 GLY C C 18 172.200 170.983 1.217 1 1 146 . 17 1 1 A 18 18 GLY CA C 18 44.900 44.320 0.580 1 1 147 . 17 1 1 A 18 18 GLY N N 18 108.600 112.363 -3.763 1 1 148 . 17 1 1 A 19 19 ASP H H 19 8.410 8.173 0.237 1 1 149 . 17 1 1 A 19 19 ASP HA H 19 4.320 4.424 -0.104 1 1 152 . 17 1 1 A 19 19 ASP C C 19 176.500 176.703 -0.203 1 1 153 . 17 1 1 A 19 19 ASP CA C 19 55.600 54.138 1.462 1 1 154 . 17 1 1 A 19 19 ASP CB C 19 39.500 41.339 -1.839 1 1 155 . 17 1 1 A 19 19 ASP N N 19 120.400 120.153 0.247 1 1 156 . 17 1 1 A 20 20 GLY H H 20 8.670 8.269 0.401 1 1 157 . 17 1 1 A 20 20 GLY HA2 H 20 3.670 3.960 -0.290 1 1 158 . 17 1 1 A 20 20 GLY HA3 H 20 4.210 4.007 0.203 1 1 159 . 17 1 1 A 20 20 GLY C C 20 173.900 173.148 0.752 1 1 160 . 17 1 1 A 20 20 GLY CA C 20 45.800 45.387 0.413 1 1 161 . 17 1 1 A 20 20 GLY N N 20 113.500 113.213 0.287 1 1 162 . 17 1 1 A 21 21 TYR H H 21 7.530 7.103 0.427 1 1 163 . 17 1 1 A 21 21 TYR HA H 21 5.480 5.157 0.323 1 1 168 . 17 1 1 A 21 21 TYR C C 21 172.800 173.006 -0.206 1 1 169 . 17 1 1 A 21 21 TYR CA C 21 56.700 56.208 0.492 1 1 170 . 17 1 1 A 21 21 TYR CB C 21 41.400 40.947 0.453 1 1 173 . 17 1 1 A 21 21 TYR N N 21 114.300 115.098 -0.798 1 1 174 . 17 1 1 A 22 22 ILE H H 22 8.780 9.094 -0.314 1 1 175 . 17 1 1 A 22 22 ILE HA H 22 4.350 4.810 -0.460 1 1 185 . 17 1 1 A 22 22 ILE C C 22 173.800 174.436 -0.636 1 1 186 . 17 1 1 A 22 22 ILE CA C 22 60.200 60.915 -0.715 1 1 187 . 17 1 1 A 22 22 ILE CB C 22 41.700 40.358 1.342 1 1 191 . 17 1 1 A 22 22 ILE N N 22 119.300 122.398 -3.098 1 1 192 . 17 1 1 A 23 23 GLU H H 23 9.010 9.707 -0.697 1 1 193 . 17 1 1 A 23 23 GLU HA H 23 5.680 4.855 0.825 1 1 198 . 17 1 1 A 23 23 GLU C C 23 175.000 175.470 -0.470 1 1 199 . 17 1 1 A 23 23 GLU CA C 23 54.300 55.660 -1.360 1 1 200 . 17 1 1 A 23 23 GLU CB C 23 33.500 31.145 2.355 1 1 202 . 17 1 1 A 23 23 GLU N N 23 127.800 128.948 -1.148 1 1 203 . 17 1 1 A 24 24 VAL H H 24 8.980 8.855 0.125 1 1 204 . 17 1 1 A 24 24 VAL HA H 24 4.840 4.459 0.381 1 1 212 . 17 1 1 A 24 24 VAL C C 24 177.300 176.083 1.217 1 1 213 . 17 1 1 A 24 24 VAL CA C 24 60.600 61.100 -0.500 1 1 214 . 17 1 1 A 24 24 VAL CB C 24 33.600 33.970 -0.370 1 1 217 . 17 1 1 A 24 24 VAL N N 24 125.400 126.924 -1.524 1 1 218 . 17 1 1 A 25 25 ASN H H 25 9.340 9.164 0.176 1 1 219 . 17 1 1 A 25 25 ASN HA H 25 4.340 4.415 -0.075 1 1 222 . 17 1 1 A 25 25 ASN C C 25 173.800 174.518 -0.718 1 1 223 . 17 1 1 A 25 25 ASN CA C 25 54.600 54.779 -0.179 1 1 224 . 17 1 1 A 25 25 ASN CB C 25 36.600 37.007 -0.407 1 1 225 . 17 1 1 A 25 25 ASN N N 25 127.800 127.177 0.623 1 1 226 . 17 1 1 A 26 26 GLN H H 26 7.920 8.918 -0.998 1 1 227 . 17 1 1 A 26 26 GLN HA H 26 3.670 3.831 -0.161 1 1 232 . 17 1 1 A 26 26 GLN C C 26 174.400 174.612 -0.212 1 1 233 . 17 1 1 A 26 26 GLN CA C 26 58.100 57.329 0.771 1 1 234 . 17 1 1 A 26 26 GLN CB C 26 26.500 26.725 -0.225 1 1 236 . 17 1 1 A 26 26 GLN N N 26 104.100 108.721 -4.621 1 1 237 . 17 1 1 A 27 27 VAL H H 27 7.850 7.522 0.328 1 1 238 . 17 1 1 A 27 27 VAL HA H 27 3.900 3.961 -0.061 1 1 246 . 17 1 1 A 27 27 VAL C C 27 174.200 174.395 -0.195 1 1 247 . 17 1 1 A 27 27 VAL CA C 27 62.100 61.288 0.812 1 1 248 . 17 1 1 A 27 27 VAL CB C 27 32.500 31.946 0.554 1 1 251 . 17 1 1 A 27 27 VAL N N 27 123.100 119.834 3.266 1 1 252 . 17 1 1 A 28 28 ARG H H 28 8.430 8.135 0.295 1 1 253 . 17 1 1 A 28 28 ARG HA H 28 4.320 4.397 -0.077 1 1 256 . 17 1 1 A 28 28 ARG C C 28 175.200 175.582 -0.382 1 1 257 . 17 1 1 A 28 28 ARG CA C 28 57.100 55.778 1.322 1 1 258 . 17 1 1 A 28 28 ARG CB C 28 31.300 30.338 0.962 1 1 259 . 17 1 1 A 28 28 ARG N N 28 126.200 126.450 -0.250 1 1 260 . 17 1 1 A 29 29 PHE H H 29 9.290 9.511 -0.221 1 1 261 . 17 1 1 A 29 29 PHE HA H 29 4.580 4.733 -0.153 1 1 266 . 17 1 1 A 29 29 PHE C C 29 175.800 175.869 -0.069 1 1 267 . 17 1 1 A 29 29 PHE CA C 29 57.700 56.845 0.855 1 1 268 . 17 1 1 A 29 29 PHE CB C 29 42.000 40.573 1.427 1 1 271 . 17 1 1 A 29 29 PHE N N 29 123.900 123.535 0.365 1 1 272 . 17 1 1 A 30 30 SER H H 30 8.950 8.918 0.032 1 1 273 . 17 1 1 A 30 30 SER HA H 30 5.130 4.713 0.417 1 1 276 . 17 1 1 A 30 30 SER C C 30 172.900 173.674 -0.774 1 1 277 . 17 1 1 A 30 30 SER CA C 30 57.000 58.123 -1.123 1 1 278 . 17 1 1 A 30 30 SER CB C 30 63.200 63.818 -0.618 1 1 279 . 17 1 1 A 30 30 SER N N 30 119.400 116.099 3.301 1 1 280 . 17 1 1 A 31 31 HIS H H 31 7.170 7.304 -0.134 1 1 281 . 17 1 1 A 31 31 HIS HA H 31 4.840 5.319 -0.479 1 1 284 . 17 1 1 A 31 31 HIS C C 31 171.900 173.199 -1.299 1 1 285 . 17 1 1 A 31 31 HIS CA C 31 53.200 53.412 -0.212 1 1 286 . 17 1 1 A 31 31 HIS CB C 31 31.100 32.590 -1.490 1 1 287 . 17 1 1 A 31 31 HIS N N 31 114.600 116.917 -2.317 1 1 288 . 17 1 1 A 32 32 ALA H H 32 8.930 8.514 0.416 1 1 289 . 17 1 1 A 32 32 ALA HA H 32 5.050 4.761 0.289 1 1 293 . 17 1 1 A 32 32 ALA C C 32 179.000 177.719 1.281 1 1 294 . 17 1 1 A 32 32 ALA CA C 32 53.700 52.768 0.932 1 1 295 . 17 1 1 A 32 32 ALA CB C 32 20.700 19.561 1.139 1 1 296 . 17 1 1 A 32 32 ALA N N 32 120.200 122.172 -1.972 1 1 297 . 17 1 1 A 33 33 ILE H H 33 8.280 8.641 -0.361 1 1 298 . 17 1 1 A 33 33 ILE HA H 33 5.520 4.987 0.533 1 1 308 . 17 1 1 A 33 33 ILE C C 33 173.400 174.568 -1.168 1 1 309 . 17 1 1 A 33 33 ILE CA C 33 59.500 59.220 0.280 1 1 310 . 17 1 1 A 33 33 ILE CB C 33 44.500 41.851 2.649 1 1 313 . 17 1 1 A 33 33 ILE N N 33 115.800 117.275 -1.475 1 1 314 . 17 1 1 A 34 34 ALA H H 34 8.900 9.311 -0.411 1 1 315 . 17 1 1 A 34 34 ALA HA H 34 5.290 5.380 -0.090 1 1 319 . 17 1 1 A 34 34 ALA C C 34 176.100 176.188 -0.088 1 1 320 . 17 1 1 A 34 34 ALA CA C 34 51.100 50.242 0.858 1 1 321 . 17 1 1 A 34 34 ALA CB C 34 21.900 20.936 0.964 1 1 322 . 17 1 1 A 34 34 ALA N N 34 121.600 126.241 -4.641 1 1 323 . 17 1 1 A 35 35 PHE H H 35 8.580 8.251 0.329 1 1 324 . 17 1 1 A 35 35 PHE HA H 35 4.740 5.258 -0.518 1 1 330 . 17 1 1 A 35 35 PHE C C 35 170.000 172.641 -2.641 1 1 331 . 17 1 1 A 35 35 PHE CA C 35 57.100 55.592 1.508 1 1 332 . 17 1 1 A 35 35 PHE CB C 35 39.700 41.500 -1.800 1 1 336 . 17 1 1 A 35 35 PHE N N 35 116.600 117.889 -1.289 1 1 337 . 17 1 1 A 36 36 ALA H H 36 8.730 8.724 0.006 1 1 338 . 17 1 1 A 36 36 ALA HA H 36 5.170 4.934 0.236 1 1 342 . 17 1 1 A 36 36 ALA CA C 36 49.100 49.727 -0.627 1 1 343 . 17 1 1 A 36 36 ALA CB C 36 20.500 21.567 -1.067 1 1 344 . 17 1 1 A 36 36 ALA N N 36 123.400 121.422 1.978 1 1 345 . 17 1 1 A 37 37 PRO HA H 37 4.740 4.546 0.194 1 1 350 . 17 1 1 A 37 37 PRO C C 37 176.500 176.415 0.085 1 1 351 . 17 1 1 A 37 37 PRO CA C 37 66.200 64.760 1.440 1 1 352 . 17 1 1 A 37 37 PRO CB C 37 33.600 32.029 1.571 1 1 354 . 17 1 1 A 38 38 GLU H H 38 7.450 8.005 -0.555 1 1 355 . 17 1 1 A 38 38 GLU HA H 38 4.790 4.935 -0.145 1 1 360 . 17 1 1 A 38 38 GLU C C 38 177.300 175.265 2.035 1 1 361 . 17 1 1 A 38 38 GLU CA C 38 54.200 55.377 -1.177 1 1 362 . 17 1 1 A 38 38 GLU CB C 38 32.600 31.736 0.864 1 1 364 . 17 1 1 A 38 38 GLU N N 38 110.100 116.274 -6.174 1 1 365 . 17 1 1 A 39 39 GLY H H 39 8.600 8.390 0.210 1 1 366 . 17 1 1 A 39 39 GLY HA2 H 39 3.920 4.259 -0.339 1 1 367 . 17 1 1 A 39 39 GLY HA3 H 39 4.440 4.265 0.175 1 1 368 . 17 1 1 A 39 39 GLY CA C 39 44.400 44.698 -0.298 1 1 369 . 17 1 1 A 39 39 GLY N N 39 109.500 113.011 -3.511 1 1 370 . 17 1 1 A 40 40 PRO HA H 40 4.550 4.730 -0.180 1 1 375 . 17 1 1 A 40 40 PRO C C 40 177.100 175.425 1.675 1 1 376 . 17 1 1 A 40 40 PRO CA C 40 62.500 62.460 0.040 1 1 377 . 17 1 1 A 40 40 PRO CB C 40 32.700 32.646 0.054 1 1 378 . 17 1 1 A 41 41 VAL H H 41 8.530 8.469 0.061 1 1 379 . 17 1 1 A 41 41 VAL HA H 41 3.900 4.488 -0.588 1 1 387 . 17 1 1 A 41 41 VAL C C 41 175.200 174.941 0.259 1 1 388 . 17 1 1 A 41 41 VAL CA C 41 63.000 61.435 1.565 1 1 389 . 17 1 1 A 41 41 VAL CB C 41 31.100 32.520 -1.420 1 1 392 . 17 1 1 A 41 41 VAL N N 41 123.000 120.608 2.392 1 1 393 . 17 1 1 A 42 42 ALA H H 42 8.320 9.085 -0.765 1 1 394 . 17 1 1 A 42 42 ALA HA H 42 4.750 5.144 -0.394 1 1 398 . 17 1 1 A 42 42 ALA C C 42 177.400 176.624 0.776 1 1 399 . 17 1 1 A 42 42 ALA CA C 42 50.800 50.177 0.623 1 1 400 . 17 1 1 A 42 42 ALA CB C 42 21.400 20.632 0.768 1 1 401 . 17 1 1 A 42 42 ALA N N 42 131.300 131.383 -0.083 1 1 402 . 17 1 1 A 43 43 SER H H 43 8.660 8.745 -0.085 1 1 403 . 17 1 1 A 43 43 SER HA H 43 4.690 4.607 0.083 1 1 406 . 17 1 1 A 43 43 SER CA C 43 59.000 59.680 -0.680 1 1 407 . 17 1 1 A 43 43 SER CB C 43 62.800 63.706 -0.906 1 1 408 . 17 1 1 A 43 43 SER N N 43 115.400 119.301 -3.901 1 1 409 . 17 1 1 A 44 44 TRP HA H 44 5.470 4.999 0.471 1 1 418 . 17 1 1 A 44 44 TRP CA C 44 52.200 55.549 -3.349 1 1 419 . 17 1 1 A 44 44 TRP CB C 44 31.000 31.111 -0.111 1 1 426 . 17 1 1 A 45 45 PRO HA H 45 4.550 4.404 0.146 1 1 431 . 17 1 1 A 45 45 PRO C C 45 173.000 176.069 -3.069 1 1 432 . 17 1 1 A 45 45 PRO CA C 45 63.300 63.675 -0.375 1 1 433 . 17 1 1 A 45 45 PRO CB C 45 27.800 31.475 -3.675 1 1 435 . 17 1 1 A 46 46 VAL H H 46 8.390 7.579 0.811 1 1 436 . 17 1 1 A 46 46 VAL HA H 46 3.770 3.972 -0.202 1 1 444 . 17 1 1 A 46 46 VAL C C 46 174.100 175.929 -1.829 1 1 445 . 17 1 1 A 46 46 VAL CA C 46 61.100 61.507 -0.407 1 1 446 . 17 1 1 A 46 46 VAL CB C 46 35.200 30.342 4.858 1 1 449 . 17 1 1 A 46 46 VAL N N 46 124.300 119.809 4.491 1 1 450 . 17 1 1 A 47 47 GLN H H 47 8.970 9.077 -0.107 1 1 451 . 17 1 1 A 47 47 GLN HA H 47 4.430 4.384 0.046 1 1 456 . 17 1 1 A 47 47 GLN C C 47 175.100 175.297 -0.197 1 1 457 . 17 1 1 A 47 47 GLN CA C 47 56.400 57.260 -0.860 1 1 458 . 17 1 1 A 47 47 GLN CB C 47 30.900 30.037 0.863 1 1 459 . 17 1 1 A 47 47 GLN N N 47 122.000 128.814 -6.814 1 1 460 . 17 1 1 A 48 48 ARG H H 48 7.720 7.572 0.148 1 1 461 . 17 1 1 A 48 48 ARG HA H 48 4.750 4.718 0.032 1 1 468 . 17 1 1 A 48 48 ARG CA C 48 52.800 52.415 0.385 1 1 469 . 17 1 1 A 48 48 ARG CB C 48 30.500 31.811 -1.311 1 1 471 . 17 1 1 A 48 48 ARG N N 48 116.600 117.940 -1.340 1 1 472 . 17 1 1 A 49 49 PRO HA H 49 3.750 4.387 -0.637 1 1 477 . 17 1 1 A 49 49 PRO C C 49 177.500 176.801 0.699 1 1 478 . 17 1 1 A 49 49 PRO CA C 49 65.400 64.034 1.366 1 1 479 . 17 1 1 A 49 49 PRO CB C 49 30.700 31.709 -1.009 1 1 481 . 17 1 1 A 50 50 ALA H H 50 7.960 8.168 -0.208 1 1 482 . 17 1 1 A 50 50 ALA HA H 50 4.010 4.404 -0.394 1 1 486 . 17 1 1 A 50 50 ALA C C 50 177.300 176.556 0.744 1 1 487 . 17 1 1 A 50 50 ALA CA C 50 53.800 53.126 0.674 1 1 488 . 17 1 1 A 50 50 ALA CB C 50 18.500 19.244 -0.744 1 1 489 . 17 1 1 A 50 50 ALA N N 50 117.200 121.163 -3.963 1 1 490 . 17 1 1 A 51 51 ASP H H 51 7.570 7.547 0.023 1 1 491 . 17 1 1 A 51 51 ASP HA H 51 4.410 4.806 -0.396 1 1 494 . 17 1 1 A 51 51 ASP C C 51 176.000 174.145 1.855 1 1 495 . 17 1 1 A 51 51 ASP CA C 51 54.200 52.965 1.235 1 1 496 . 17 1 1 A 51 51 ASP CB C 51 41.900 41.521 0.379 1 1 497 . 17 1 1 A 51 51 ASP N N 51 114.800 118.212 -3.412 1 1 498 . 17 1 1 A 52 52 ILE H H 52 7.290 8.033 -0.743 1 1 499 . 17 1 1 A 52 52 ILE HA H 52 3.100 4.571 -1.471 1 1 509 . 17 1 1 A 52 52 ILE C C 52 174.800 175.283 -0.483 1 1 510 . 17 1 1 A 52 52 ILE CA C 52 65.100 59.995 5.105 1 1 511 . 17 1 1 A 52 52 ILE CB C 52 37.100 39.173 -2.073 1 1 515 . 17 1 1 A 52 52 ILE N N 52 117.700 124.327 -6.627 1 1 516 . 17 1 1 A 53 53 THR H H 53 6.560 8.359 -1.799 1 1 517 . 17 1 1 A 53 53 THR HA H 53 4.720 4.911 -0.191 1 1 522 . 17 1 1 A 53 53 THR C C 53 174.600 175.900 -1.300 1 1 523 . 17 1 1 A 53 53 THR CA C 53 58.500 59.641 -1.141 1 1 524 . 17 1 1 A 53 53 THR CB C 53 72.900 72.207 0.693 1 1 526 . 17 1 1 A 53 53 THR N N 53 117.300 118.429 -1.129 1 1 527 . 17 1 1 A 54 54 ALA H H 54 9.340 9.073 0.267 1 1 528 . 17 1 1 A 54 54 ALA HA H 54 4.460 4.073 0.387 1 1 532 . 17 1 1 A 54 54 ALA C C 54 167.400 179.762 -12.362 1 1 533 . 17 1 1 A 54 54 ALA CA C 54 55.800 55.660 0.140 1 1 534 . 17 1 1 A 54 54 ALA CB C 54 18.200 17.990 0.210 1 1 535 . 17 1 1 A 54 54 ALA N N 54 123.800 124.785 -0.985 1 1 536 . 17 1 1 A 55 55 SER H H 55 8.530 8.150 0.380 1 1 537 . 17 1 1 A 55 55 SER HA H 55 4.280 4.419 -0.139 1 1 541 . 17 1 1 A 55 55 SER C C 55 177.700 176.443 1.257 1 1 542 . 17 1 1 A 55 55 SER CA C 55 61.600 62.022 -0.422 1 1 543 . 17 1 1 A 55 55 SER CB C 55 62.600 62.875 -0.275 1 1 544 . 17 1 1 A 55 55 SER N N 55 112.600 113.750 -1.150 1 1 545 . 17 1 1 A 56 56 LEU H H 56 7.810 7.832 -0.022 1 1 546 . 17 1 1 A 56 56 LEU HA H 56 4.280 4.212 0.068 1 1 556 . 17 1 1 A 56 56 LEU C C 56 168.100 180.079 -11.979 1 1 557 . 17 1 1 A 56 56 LEU CA C 56 57.900 57.798 0.102 1 1 558 . 17 1 1 A 56 56 LEU CB C 56 42.100 41.178 0.922 1 1 562 . 17 1 1 A 56 56 LEU N N 56 122.500 120.869 1.631 1 1 563 . 17 1 1 A 57 57 LEU H H 57 8.490 8.167 0.323 1 1 564 . 17 1 1 A 57 57 LEU HA H 57 4.180 4.062 0.118 1 1 574 . 17 1 1 A 57 57 LEU C C 57 178.000 179.325 -1.325 1 1 575 . 17 1 1 A 57 57 LEU CA C 57 58.300 58.092 0.208 1 1 576 . 17 1 1 A 57 57 LEU CB C 57 41.200 41.038 0.162 1 1 580 . 17 1 1 A 57 57 LEU N N 57 123.900 119.696 4.204 1 1 581 . 17 1 1 A 58 58 GLN H H 58 8.500 8.542 -0.042 1 1 582 . 17 1 1 A 58 58 GLN HA H 58 3.680 4.004 -0.324 1 1 589 . 17 1 1 A 58 58 GLN C C 58 178.200 179.123 -0.923 1 1 590 . 17 1 1 A 58 58 GLN CA C 58 60.200 59.220 0.980 1 1 591 . 17 1 1 A 58 58 GLN CB C 58 28.500 28.305 0.195 1 1 593 . 17 1 1 A 58 58 GLN N N 58 118.800 118.994 -0.194 1 1 595 . 17 1 1 A 59 59 GLN H H 59 8.300 7.789 0.511 1 1 596 . 17 1 1 A 59 59 GLN HA H 59 4.090 4.059 0.031 1 1 601 . 17 1 1 A 59 59 GLN C C 59 179.900 178.713 1.187 1 1 602 . 17 1 1 A 59 59 GLN CA C 59 58.900 58.847 0.053 1 1 603 . 17 1 1 A 59 59 GLN CB C 59 28.800 28.489 0.311 1 1 605 . 17 1 1 A 59 59 GLN N N 59 118.600 118.796 -0.196 1 1 606 . 17 1 1 A 60 60 ALA H H 60 7.850 8.024 -0.174 1 1 607 . 17 1 1 A 60 60 ALA HA H 60 3.580 3.890 -0.310 1 1 611 . 17 1 1 A 60 60 ALA C C 60 176.700 178.845 -2.145 1 1 612 . 17 1 1 A 60 60 ALA CA C 60 54.700 53.840 0.860 1 1 613 . 17 1 1 A 60 60 ALA CB C 60 17.400 17.956 -0.556 1 1 614 . 17 1 1 A 60 60 ALA N N 60 122.500 121.615 0.885 1 1 615 . 17 1 1 A 61 61 ALA H H 61 7.540 7.274 0.266 1 1 616 . 17 1 1 A 61 61 ALA HA H 61 3.970 4.275 -0.305 1 1 620 . 17 1 1 A 61 61 ALA C C 61 176.300 177.821 -1.521 1 1 621 . 17 1 1 A 61 61 ALA CA C 61 52.400 51.897 0.503 1 1 622 . 17 1 1 A 61 61 ALA CB C 61 19.100 19.367 -0.267 1 1 623 . 17 1 1 A 61 61 ALA N N 61 113.700 118.016 -4.316 1 1 624 . 17 1 1 A 62 62 GLY H H 62 7.600 7.761 -0.161 1 1 625 . 17 1 1 A 62 62 GLY HA2 H 62 3.890 3.882 0.008 1 1 626 . 17 1 1 A 62 62 GLY HA3 H 62 3.980 3.884 0.096 1 1 627 . 17 1 1 A 62 62 GLY C C 62 175.400 175.383 0.017 1 1 628 . 17 1 1 A 62 62 GLY CA C 62 45.800 45.424 0.376 1 1 629 . 17 1 1 A 62 62 GLY N N 62 104.800 106.633 -1.833 1 1 630 . 17 1 1 A 63 63 LEU H H 63 7.770 7.945 -0.175 1 1 631 . 17 1 1 A 63 63 LEU HA H 63 4.430 4.417 0.013 1 1 640 . 17 1 1 A 63 63 LEU C C 63 176.400 177.821 -1.421 1 1 641 . 17 1 1 A 63 63 LEU CA C 63 54.000 54.642 -0.642 1 1 642 . 17 1 1 A 63 63 LEU CB C 63 42.500 41.113 1.387 1 1 645 . 17 1 1 A 63 63 LEU N N 63 119.100 121.512 -2.412 1 1 646 . 17 1 1 A 64 64 ALA H H 64 8.060 7.823 0.237 1 1 647 . 17 1 1 A 64 64 ALA HA H 64 4.160 4.269 -0.109 1 1 651 . 17 1 1 A 64 64 ALA C C 64 177.300 178.705 -1.405 1 1 652 . 17 1 1 A 64 64 ALA CA C 64 52.700 54.401 -1.701 1 1 653 . 17 1 1 A 64 64 ALA CB C 64 19.700 18.863 0.837 1 1 654 . 17 1 1 A 64 64 ALA N N 64 122.900 122.967 -0.067 1 1 655 . 17 1 1 A 65 65 GLU H H 65 8.260 7.961 0.299 1 1 656 . 17 1 1 A 65 65 GLU C C 65 176.300 176.193 0.107 1 1 657 . 17 1 1 A 65 65 GLU CA C 65 56.400 56.211 0.189 1 1 658 . 17 1 1 A 65 65 GLU CB C 65 30.100 31.295 -1.195 1 1 659 . 17 1 1 A 65 65 GLU N N 65 118.900 115.031 3.869 1 1 660 . 17 1 1 A 66 66 VAL H H 66 7.960 7.432 0.528 1 1 661 . 17 1 1 A 66 66 VAL HA H 66 4.020 4.390 -0.370 1 1 663 . 17 1 1 A 66 66 VAL C C 66 175.900 175.498 0.402 1 1 664 . 17 1 1 A 66 66 VAL CA C 66 62.300 61.100 1.200 1 1 665 . 17 1 1 A 66 66 VAL CB C 66 32.800 33.438 -0.638 1 1 666 . 17 1 1 A 66 66 VAL N N 66 121.500 114.915 6.585 1 1 667 . 17 1 1 A 67 67 VAL H H 67 8.210 8.899 -0.689 1 1 668 . 17 1 1 A 67 67 VAL C C 67 175.800 175.230 0.570 1 1 669 . 17 1 1 A 67 67 VAL CA C 67 62.200 59.140 3.060 1 1 670 . 17 1 1 A 67 67 VAL CB C 67 32.600 35.917 -3.317 1 1 671 . 17 1 1 A 67 67 VAL N N 67 124.900 119.005 5.895 1 1 672 . 17 1 1 A 68 68 ARG H H 68 8.380 8.611 -0.231 1 1 673 . 17 1 1 A 68 68 ARG HA H 68 4.270 4.569 -0.299 1 1 674 . 17 1 1 A 68 68 ARG C C 68 175.400 174.403 0.997 1 1 675 . 17 1 1 A 68 68 ARG CA C 68 55.700 55.368 0.332 1 1 676 . 17 1 1 A 68 68 ARG CB C 68 31.100 30.228 0.872 1 1 677 . 17 1 1 A 68 68 ARG N N 68 125.900 119.248 6.652 1 1 678 . 17 1 1 A 69 69 ASP H H 69 8.390 7.692 0.698 1 1 679 . 17 1 1 A 69 69 ASP HA H 69 4.800 4.948 -0.148 1 1 682 . 17 1 1 A 69 69 ASP CA C 69 51.700 50.917 0.783 1 1 683 . 17 1 1 A 69 69 ASP CB C 69 41.700 42.376 -0.676 1 1 684 . 17 1 1 A 69 69 ASP N N 69 123.600 119.415 4.185 1 1 685 . 17 1 1 A 70 70 PRO HA H 70 4.290 4.563 -0.273 1 1 688 . 17 1 1 A 70 70 PRO C C 70 177.500 177.396 0.104 1 1 689 . 17 1 1 A 70 70 PRO CA C 70 64.100 62.888 1.212 1 1 690 . 17 1 1 A 70 70 PRO CB C 70 32.300 32.341 -0.041 1 1 691 . 17 1 1 A 71 71 LEU H H 71 8.280 8.839 -0.559 1 1 692 . 17 1 1 A 71 71 LEU HA H 71 4.260 4.541 -0.281 1 1 698 . 17 1 1 A 71 71 LEU C C 71 177.600 175.764 1.836 1 1 699 . 17 1 1 A 71 71 LEU CA C 71 55.100 54.638 0.462 1 1 700 . 17 1 1 A 71 71 LEU CB C 71 41.200 41.875 -0.675 1 1 702 . 17 1 1 A 71 71 LEU N N 71 118.400 120.828 -2.428 1 1 703 . 17 1 1 A 72 72 ALA H H 72 7.660 7.473 0.187 1 1 704 . 17 1 1 A 72 72 ALA HA H 72 4.170 4.594 -0.424 1 1 708 . 17 1 1 A 72 72 ALA C C 72 177.400 177.446 -0.046 1 1 709 . 17 1 1 A 72 72 ALA CA C 72 52.600 51.228 1.372 1 1 710 . 17 1 1 A 72 72 ALA CB C 72 19.200 21.805 -2.605 1 1 711 . 17 1 1 A 72 72 ALA N N 72 122.900 120.235 2.665 1 1 712 . 17 1 1 A 73 73 PHE H H 73 7.940 8.833 -0.893 1 1 713 . 17 1 1 A 73 73 PHE HA H 73 4.510 4.382 0.128 1 1 717 . 17 1 1 A 73 73 PHE C C 73 175.600 175.069 0.531 1 1 718 . 17 1 1 A 73 73 PHE CA C 73 57.800 59.752 -1.952 1 1 719 . 17 1 1 A 73 73 PHE CB C 73 39.100 40.042 -0.942 1 1 720 . 17 1 1 A 73 73 PHE N N 73 118.200 119.021 -0.821 1 1 721 . 17 1 1 A 74 74 LEU H H 74 7.890 7.688 0.202 1 1 722 . 17 1 1 A 74 74 LEU CA C 74 55.200 53.222 1.978 1 1 723 . 17 1 1 A 74 74 LEU CB C 74 42.400 44.493 -2.093 1 1 724 . 17 1 1 A 74 74 LEU N N 74 122.600 121.768 0.832 1 1 725 . 17 1 1 A 78 78 GLU C C 78 176.600 177.193 -0.593 1 1 726 . 17 1 1 A 78 78 GLU CA C 78 57.500 58.761 -1.261 1 1 727 . 17 1 1 A 78 78 GLU CB C 78 30.100 30.818 -0.718 1 1 728 . 17 1 1 A 79 79 ALA H H 79 8.460 8.088 0.372 1 1 729 . 17 1 1 A 79 79 ALA C C 79 178.300 178.409 -0.109 1 1 730 . 17 1 1 A 79 79 ALA CA C 79 52.900 51.453 1.447 1 1 731 . 17 1 1 A 79 79 ALA CB C 79 19.200 18.502 0.698 1 1 732 . 17 1 1 A 79 79 ALA N N 79 124.700 121.566 3.134 1 1 733 . 17 1 1 A 80 80 GLY H H 80 8.330 8.763 -0.433 1 1 734 . 17 1 1 A 80 80 GLY C C 80 174.100 173.525 0.575 1 1 735 . 17 1 1 A 80 80 GLY CA C 80 45.100 46.299 -1.199 1 1 736 . 17 1 1 A 80 80 GLY N N 80 108.200 111.626 -3.426 1 1 737 . 17 1 1 A 81 81 ALA H H 81 8.140 7.709 0.431 1 1 738 . 17 1 1 A 81 81 ALA HA H 81 4.170 4.724 -0.554 1 1 739 . 17 1 1 A 81 81 ALA C C 81 178.400 176.235 2.165 1 1 740 . 17 1 1 A 81 81 ALA CA C 81 52.800 51.053 1.747 1 1 741 . 17 1 1 A 81 81 ALA CB C 81 19.200 20.341 -1.141 1 1 742 . 17 1 1 A 81 81 ALA N N 81 123.600 123.030 0.570 1 1 743 . 17 1 1 A 82 82 GLY H H 82 8.400 8.888 -0.488 1 1 744 . 17 1 1 A 82 82 GLY HA2 H 82 3.860 4.196 -0.336 1 1 745 . 17 1 1 A 82 82 GLY HA3 H 82 2.880 4.197 -1.317 1 1 746 . 17 1 1 A 82 82 GLY C C 82 173.600 174.325 -0.725 1 1 747 . 17 1 1 A 82 82 GLY CA C 82 45.200 44.696 0.504 1 1 748 . 17 1 1 A 82 82 GLY N N 82 108.000 110.392 -2.392 1 1 749 . 17 1 1 A 83 83 ALA H H 83 7.980 8.556 -0.576 1 1 750 . 17 1 1 A 83 83 ALA HA H 83 4.280 3.996 0.284 1 1 754 . 17 1 1 A 83 83 ALA C C 83 177.200 176.933 0.267 1 1 755 . 17 1 1 A 83 83 ALA CA C 83 52.100 53.028 -0.928 1 1 756 . 17 1 1 A 83 83 ALA CB C 83 19.500 17.933 1.567 1 1 757 . 17 1 1 A 83 83 ALA N N 83 123.300 123.682 -0.382 1 1 758 . 17 1 1 A 84 84 ARG H H 84 8.240 8.428 -0.188 1 1 759 . 17 1 1 A 84 84 ARG HA H 84 4.610 4.384 0.226 1 1 762 . 17 1 1 A 84 84 ARG CA C 84 54.000 54.485 -0.485 1 1 763 . 17 1 1 A 84 84 ARG CB C 84 30.500 30.078 0.422 1 1 764 . 17 1 1 A 84 84 ARG N N 84 121.700 122.900 -1.200 1 1 765 . 17 1 1 A 85 85 PRO HA H 85 4.390 4.503 -0.113 1 1 770 . 17 1 1 A 85 85 PRO C C 85 177.000 176.343 0.657 1 1 771 . 17 1 1 A 85 85 PRO CA C 85 62.900 64.035 -1.135 1 1 772 . 17 1 1 A 85 85 PRO CB C 85 32.200 31.518 0.682 1 1 773 . 17 1 1 A 86 86 ALA H H 86 8.600 8.254 0.346 1 1 774 . 17 1 1 A 86 86 ALA HA H 86 4.150 4.571 -0.421 1 1 778 . 17 1 1 A 86 86 ALA C C 86 177.800 177.264 0.536 1 1 779 . 17 1 1 A 86 86 ALA CA C 86 53.400 52.157 1.243 1 1 780 . 17 1 1 A 86 86 ALA CB C 86 18.900 19.710 -0.810 1 1 781 . 17 1 1 A 86 86 ALA N N 86 124.900 121.980 2.920 1 1 782 . 17 1 1 A 87 87 ASN H H 87 8.380 8.144 0.236 1 1 783 . 17 1 1 A 87 87 ASN HA H 87 4.590 4.788 -0.198 1 1 786 . 17 1 1 A 87 87 ASN C C 87 174.400 175.120 -0.720 1 1 787 . 17 1 1 A 87 87 ASN CA C 87 52.600 52.398 0.202 1 1 788 . 17 1 1 A 87 87 ASN CB C 87 38.300 38.525 -0.225 1 1 789 . 17 1 1 A 87 87 ASN N N 87 114.900 115.288 -0.388 1 1 790 . 17 1 1 A 88 88 ALA H H 88 7.800 7.574 0.226 1 1 791 . 17 1 1 A 88 88 ALA HA H 88 4.400 4.512 -0.112 1 1 795 . 17 1 1 A 88 88 ALA CA C 88 50.400 50.198 0.202 1 1 796 . 17 1 1 A 88 88 ALA CB C 88 17.900 19.478 -1.578 1 1 797 . 17 1 1 A 88 88 ALA N N 88 123.600 121.594 2.006 1 1 798 . 17 1 1 A 89 89 PRO HA H 89 4.390 4.546 -0.156 1 1 805 . 17 1 1 A 89 89 PRO C C 89 175.000 177.642 -2.642 1 1 806 . 17 1 1 A 89 89 PRO CA C 89 62.400 63.173 -0.773 1 1 807 . 17 1 1 A 89 89 PRO CB C 89 31.700 32.032 -0.332 1 1 810 . 17 1 1 A 90 90 GLU H H 90 9.000 9.209 -0.209 1 1 811 . 17 1 1 A 90 90 GLU HA H 90 4.310 4.222 0.088 1 1 814 . 17 1 1 A 90 90 GLU C C 90 177.300 176.368 0.932 1 1 815 . 17 1 1 A 90 90 GLU CA C 90 58.000 58.936 -0.936 1 1 816 . 17 1 1 A 90 90 GLU CB C 90 31.400 31.622 -0.222 1 1 817 . 17 1 1 A 90 90 GLU N N 90 117.700 120.646 -2.946 1 1 818 . 17 1 1 A 91 91 VAL H H 91 7.310 7.394 -0.084 1 1 819 . 17 1 1 A 91 91 VAL HA H 91 4.570 4.911 -0.341 1 1 827 . 17 1 1 A 91 91 VAL C C 91 171.000 173.224 -2.224 1 1 828 . 17 1 1 A 91 91 VAL CA C 91 59.700 59.853 -0.153 1 1 829 . 17 1 1 A 91 91 VAL CB C 91 35.600 35.397 0.203 1 1 832 . 17 1 1 A 91 91 VAL N N 91 115.900 116.592 -0.692 1 1 833 . 17 1 1 A 92 92 LEU H H 92 8.700 9.161 -0.461 1 1 834 . 17 1 1 A 92 92 LEU HA H 92 4.950 5.277 -0.327 1 1 844 . 17 1 1 A 92 92 LEU C C 92 174.300 174.562 -0.262 1 1 845 . 17 1 1 A 92 92 LEU CA C 92 52.700 53.259 -0.559 1 1 846 . 17 1 1 A 92 92 LEU CB C 92 44.100 44.836 -0.736 1 1 850 . 17 1 1 A 92 92 LEU N N 92 128.500 129.717 -1.217 1 1 851 . 17 1 1 A 93 93 LEU H H 93 8.770 9.501 -0.731 1 1 852 . 17 1 1 A 93 93 LEU HA H 93 4.910 4.990 -0.080 1 1 862 . 17 1 1 A 93 93 LEU C C 93 174.900 175.483 -0.583 1 1 863 . 17 1 1 A 93 93 LEU CA C 93 52.600 53.437 -0.837 1 1 864 . 17 1 1 A 93 93 LEU CB C 93 44.300 42.163 2.137 1 1 868 . 17 1 1 A 93 93 LEU N N 93 127.300 128.975 -1.675 1 1 869 . 17 1 1 A 94 94 VAL H H 94 8.800 9.411 -0.611 1 1 870 . 17 1 1 A 94 94 VAL HA H 94 4.880 4.361 0.519 1 1 878 . 17 1 1 A 94 94 VAL C C 94 175.000 175.338 -0.338 1 1 879 . 17 1 1 A 94 94 VAL CA C 94 60.000 61.312 -1.312 1 1 880 . 17 1 1 A 94 94 VAL CB C 94 33.900 31.337 2.563 1 1 883 . 17 1 1 A 94 94 VAL N N 94 122.000 126.055 -4.055 1 1 884 . 17 1 1 A 95 95 GLY H H 95 9.730 9.314 0.416 1 1 885 . 17 1 1 A 95 95 GLY HA2 H 95 3.240 3.884 -0.644 1 1 886 . 17 1 1 A 95 95 GLY HA3 H 95 4.940 3.904 1.036 1 1 887 . 17 1 1 A 95 95 GLY C C 95 175.000 173.117 1.883 1 1 888 . 17 1 1 A 95 95 GLY CA C 95 45.500 47.176 -1.676 1 1 889 . 17 1 1 A 95 95 GLY N N 95 114.000 114.655 -0.655 1 1 890 . 17 1 1 A 96 96 THR H H 96 9.320 8.443 0.877 1 1 891 . 17 1 1 A 96 96 THR HA H 96 4.210 4.585 -0.375 1 1 896 . 17 1 1 A 96 96 THR C C 96 173.000 174.759 -1.759 1 1 897 . 17 1 1 A 96 96 THR CA C 96 61.800 61.275 0.525 1 1 898 . 17 1 1 A 96 96 THR CB C 96 67.600 67.827 -0.227 1 1 900 . 17 1 1 A 96 96 THR N N 96 113.800 118.488 -4.688 1 1 901 . 17 1 1 A 97 97 GLY H H 97 8.600 8.679 -0.079 1 1 902 . 17 1 1 A 97 97 GLY HA2 H 97 3.580 3.863 -0.283 1 1 903 . 17 1 1 A 97 97 GLY HA3 H 97 4.500 3.880 0.620 1 1 904 . 17 1 1 A 97 97 GLY C C 97 174.800 175.632 -0.832 1 1 905 . 17 1 1 A 97 97 GLY CA C 97 44.000 47.169 -3.169 1 1 906 . 17 1 1 A 97 97 GLY N N 97 110.900 114.803 -3.903 1 1 907 . 17 1 1 A 98 98 ARG H H 98 9.400 7.919 1.481 1 1 908 . 17 1 1 A 98 98 ARG HA H 98 4.110 4.126 -0.016 1 1 911 . 17 1 1 A 98 98 ARG C C 98 175.700 175.570 0.130 1 1 912 . 17 1 1 A 98 98 ARG CA C 98 58.800 58.520 0.280 1 1 913 . 17 1 1 A 98 98 ARG CB C 98 30.700 31.110 -0.410 1 1 914 . 17 1 1 A 98 98 ARG N N 98 125.500 121.610 3.890 1 1 915 . 17 1 1 A 99 99 ARG H H 99 8.180 7.856 0.324 1 1 916 . 17 1 1 A 99 99 ARG HA H 99 4.640 4.706 -0.066 1 1 919 . 17 1 1 A 99 99 ARG C C 99 175.000 175.379 -0.379 1 1 920 . 17 1 1 A 99 99 ARG CA C 99 53.100 54.750 -1.650 1 1 921 . 17 1 1 A 99 99 ARG CB C 99 33.200 33.688 -0.488 1 1 922 . 17 1 1 A 99 99 ARG N N 99 114.300 117.101 -2.801 1 1 923 . 17 1 1 A 100 100 GLN H H 100 8.710 8.500 0.210 1 1 924 . 17 1 1 A 100 100 GLN HA H 100 3.620 4.604 -0.984 1 1 929 . 17 1 1 A 100 100 GLN C C 100 173.900 175.094 -1.194 1 1 930 . 17 1 1 A 100 100 GLN CA C 100 56.400 55.529 0.871 1 1 931 . 17 1 1 A 100 100 GLN CB C 100 29.600 28.167 1.433 1 1 933 . 17 1 1 A 100 100 GLN N N 100 121.700 122.784 -1.084 1 1 934 . 17 1 1 A 101 101 HIS H H 101 7.900 8.726 -0.826 1 1 935 . 17 1 1 A 101 101 HIS HA H 101 4.530 4.761 -0.231 1 1 939 . 17 1 1 A 101 101 HIS C C 101 173.100 174.673 -1.573 1 1 940 . 17 1 1 A 101 101 HIS CA C 101 55.100 55.110 -0.010 1 1 941 . 17 1 1 A 101 101 HIS CB C 101 32.100 30.070 2.030 1 1 942 . 17 1 1 A 101 101 HIS N N 101 130.600 125.938 4.662 1 1 943 . 17 1 1 A 102 102 LEU H H 102 8.080 8.273 -0.193 1 1 944 . 17 1 1 A 102 102 LEU HA H 102 4.060 4.098 -0.038 1 1 948 . 17 1 1 A 102 102 LEU C C 102 177.200 176.786 0.414 1 1 949 . 17 1 1 A 102 102 LEU CA C 102 54.900 55.721 -0.821 1 1 950 . 17 1 1 A 102 102 LEU CB C 102 41.600 41.427 0.173 1 1 951 . 17 1 1 A 102 102 LEU N N 102 121.400 128.453 -7.053 1 1 952 . 17 1 1 A 103 103 LEU H H 103 8.260 8.645 -0.385 1 1 953 . 17 1 1 A 103 103 LEU HA H 103 4.490 4.529 -0.039 1 1 963 . 17 1 1 A 103 103 LEU C C 103 177.100 176.868 0.232 1 1 964 . 17 1 1 A 103 103 LEU CA C 103 53.400 54.466 -1.066 1 1 965 . 17 1 1 A 103 103 LEU CB C 103 42.600 42.516 0.084 1 1 969 . 17 1 1 A 103 103 LEU N N 103 123.000 125.556 -2.556 1 1 970 . 17 1 1 A 104 104 GLY H H 104 8.820 8.481 0.339 1 1 971 . 17 1 1 A 104 104 GLY HA2 H 104 3.930 4.238 -0.308 1 1 972 . 17 1 1 A 104 104 GLY HA3 H 104 4.440 4.249 0.191 1 1 973 . 17 1 1 A 104 104 GLY CA C 104 44.500 43.828 0.672 1 1 974 . 17 1 1 A 104 104 GLY N N 104 110.200 109.478 0.722 1 1 975 . 17 1 1 A 105 105 PRO HA H 105 4.230 4.238 -0.008 1 1 978 . 17 1 1 A 105 105 PRO C C 105 178.900 178.345 0.555 1 1 979 . 17 1 1 A 105 105 PRO CA C 105 65.200 65.161 0.039 1 1 980 . 17 1 1 A 105 105 PRO CB C 105 31.900 31.836 0.064 1 1 981 . 17 1 1 A 106 106 GLU H H 106 9.150 8.505 0.645 1 1 982 . 17 1 1 A 106 106 GLU HA H 106 4.080 4.098 -0.018 1 1 987 . 17 1 1 A 106 106 GLU C C 106 178.500 179.292 -0.792 1 1 988 . 17 1 1 A 106 106 GLU CA C 106 58.600 59.021 -0.421 1 1 989 . 17 1 1 A 106 106 GLU CB C 106 28.500 29.202 -0.702 1 1 991 . 17 1 1 A 106 106 GLU N N 106 115.400 118.031 -2.631 1 1 992 . 17 1 1 A 107 107 GLN H H 107 7.680 7.817 -0.137 1 1 993 . 17 1 1 A 107 107 GLN HA H 107 4.160 4.127 0.033 1 1 998 . 17 1 1 A 107 107 GLN C C 107 175.200 177.797 -2.597 1 1 999 . 17 1 1 A 107 107 GLN CA C 107 58.500 58.407 0.093 1 1 1000 . 17 1 1 A 107 107 GLN CB C 107 29.400 28.759 0.641 1 1 1002 . 17 1 1 A 107 107 GLN N N 107 116.100 120.096 -3.996 1 1 1003 . 17 1 1 A 108 108 VAL H H 108 7.080 7.760 -0.680 1 1 1004 . 17 1 1 A 108 108 VAL HA H 108 4.270 4.115 0.155 1 1 1012 . 17 1 1 A 108 108 VAL C C 108 177.500 177.365 0.135 1 1 1013 . 17 1 1 A 108 108 VAL CA C 108 62.000 62.274 -0.274 1 1 1014 . 17 1 1 A 108 108 VAL CB C 108 33.000 31.931 1.069 1 1 1017 . 17 1 1 A 108 108 VAL N N 108 104.800 114.584 -9.784 1 1 1018 . 17 1 1 A 109 109 ARG H H 109 8.220 7.940 0.280 1 1 1019 . 17 1 1 A 109 109 ARG HA H 109 4.060 4.118 -0.058 1 1 1024 . 17 1 1 A 109 109 ARG CA C 109 61.700 61.269 0.431 1 1 1025 . 17 1 1 A 109 109 ARG CB C 109 27.600 27.955 -0.355 1 1 1027 . 17 1 1 A 109 109 ARG N N 109 123.100 122.855 0.245 1 1 1028 . 17 1 1 A 110 110 PRO HA H 110 4.290 4.409 -0.119 1 1 1035 . 17 1 1 A 110 110 PRO C C 110 173.000 178.742 -5.742 1 1 1036 . 17 1 1 A 110 110 PRO CA C 110 65.800 65.022 0.778 1 1 1037 . 17 1 1 A 110 110 PRO CB C 110 31.400 31.166 0.234 1 1 1040 . 17 1 1 A 111 111 LEU H H 111 7.080 7.641 -0.561 1 1 1041 . 17 1 1 A 111 111 LEU HA H 111 4.050 4.077 -0.027 1 1 1051 . 17 1 1 A 111 111 LEU C C 111 178.800 179.223 -0.423 1 1 1052 . 17 1 1 A 111 111 LEU CA C 111 57.400 57.582 -0.182 1 1 1053 . 17 1 1 A 111 111 LEU CB C 111 40.100 41.721 -1.621 1 1 1056 . 17 1 1 A 111 111 LEU N N 111 117.700 117.455 0.245 1 1 1057 . 17 1 1 A 112 112 LEU H H 112 7.950 8.568 -0.618 1 1 1058 . 17 1 1 A 112 112 LEU HA H 112 4.050 3.961 0.089 1 1 1068 . 17 1 1 A 112 112 LEU C C 112 169.000 179.726 -10.726 1 1 1069 . 17 1 1 A 112 112 LEU CA C 112 58.000 57.872 0.128 1 1 1070 . 17 1 1 A 112 112 LEU CB C 112 41.100 40.653 0.447 1 1 1074 . 17 1 1 A 112 112 LEU N N 112 121.700 118.725 2.975 1 1 1075 . 17 1 1 A 113 113 ALA H H 113 8.230 8.251 -0.021 1 1 1076 . 17 1 1 A 113 113 ALA HA H 113 4.110 4.099 0.011 1 1 1080 . 17 1 1 A 113 113 ALA C C 113 178.700 179.165 -0.465 1 1 1081 . 17 1 1 A 113 113 ALA CA C 113 54.400 54.729 -0.329 1 1 1082 . 17 1 1 A 113 113 ALA CB C 113 18.100 18.170 -0.070 1 1 1083 . 17 1 1 A 113 113 ALA N N 113 120.900 122.744 -1.844 1 1 1084 . 17 1 1 A 114 114 MET H H 114 7.270 7.640 -0.370 1 1 1085 . 17 1 1 A 114 114 MET HA H 114 4.490 4.487 0.003 1 1 1093 . 17 1 1 A 114 114 MET C C 114 175.100 176.231 -1.131 1 1 1094 . 17 1 1 A 114 114 MET CA C 114 55.100 55.968 -0.868 1 1 1095 . 17 1 1 A 114 114 MET CB C 114 33.700 33.004 0.696 1 1 1098 . 17 1 1 A 114 114 MET N N 114 115.100 115.541 -0.441 1 1 1099 . 17 1 1 A 115 115 GLY H H 115 7.830 7.643 0.187 1 1 1100 . 17 1 1 A 115 115 GLY HA2 H 115 3.660 4.035 -0.375 1 1 1101 . 17 1 1 A 115 115 GLY HA3 H 115 4.060 4.035 0.025 1 1 1102 . 17 1 1 A 115 115 GLY C C 115 173.700 174.456 -0.756 1 1 1103 . 17 1 1 A 115 115 GLY CA C 115 45.600 44.885 0.715 1 1 1104 . 17 1 1 A 115 115 GLY N N 115 106.300 105.808 0.492 1 1 1105 . 17 1 1 A 116 116 VAL H H 116 7.710 7.776 -0.066 1 1 1106 . 17 1 1 A 116 116 VAL HA H 116 3.820 4.071 -0.251 1 1 1114 . 17 1 1 A 116 116 VAL C C 116 174.800 175.507 -0.707 1 1 1115 . 17 1 1 A 116 116 VAL CA C 116 61.200 62.498 -1.298 1 1 1116 . 17 1 1 A 116 116 VAL CB C 116 32.800 31.203 1.597 1 1 1119 . 17 1 1 A 116 116 VAL N N 116 123.600 122.440 1.160 1 1 1120 . 17 1 1 A 117 117 GLY H H 117 7.730 9.280 -1.550 1 1 1121 . 17 1 1 A 117 117 GLY HA2 H 117 3.570 3.962 -0.392 1 1 1122 . 17 1 1 A 117 117 GLY HA3 H 117 4.040 3.965 0.075 1 1 1123 . 17 1 1 A 117 117 GLY C C 117 172.600 173.065 -0.465 1 1 1124 . 17 1 1 A 117 117 GLY CA C 117 45.500 45.798 -0.298 1 1 1125 . 17 1 1 A 117 117 GLY N N 117 111.400 114.741 -3.341 1 1 1126 . 17 1 1 A 118 118 VAL H H 118 7.740 8.757 -1.017 1 1 1127 . 17 1 1 A 118 118 VAL HA H 118 5.100 4.585 0.515 1 1 1135 . 17 1 1 A 118 118 VAL C C 118 175.500 175.512 -0.012 1 1 1136 . 17 1 1 A 118 118 VAL CA C 118 61.000 62.638 -1.638 1 1 1137 . 17 1 1 A 118 118 VAL CB C 118 34.300 31.828 2.472 1 1 1140 . 17 1 1 A 118 118 VAL N N 118 120.900 127.705 -6.805 1 1 1141 . 17 1 1 A 119 119 GLU H H 119 8.490 9.294 -0.804 1 1 1142 . 17 1 1 A 119 119 GLU HA H 119 4.630 5.025 -0.395 1 1 1147 . 17 1 1 A 119 119 GLU C C 119 173.500 175.158 -1.658 1 1 1148 . 17 1 1 A 119 119 GLU CA C 119 54.600 54.463 0.137 1 1 1149 . 17 1 1 A 119 119 GLU CB C 119 32.300 33.492 -1.192 1 1 1151 . 17 1 1 A 119 119 GLU N N 119 127.000 126.695 0.305 1 1 1152 . 17 1 1 A 120 120 ALA H H 120 8.600 8.841 -0.241 1 1 1153 . 17 1 1 A 120 120 ALA HA H 120 5.530 5.188 0.342 1 1 1157 . 17 1 1 A 120 120 ALA C C 120 177.100 176.671 0.429 1 1 1158 . 17 1 1 A 120 120 ALA CA C 120 50.300 50.701 -0.401 1 1 1159 . 17 1 1 A 120 120 ALA CB C 120 20.800 20.514 0.286 1 1 1160 . 17 1 1 A 120 120 ALA N N 120 126.500 126.185 0.315 1 1 1161 . 17 1 1 A 121 121 MET H H 121 9.430 9.042 0.388 1 1 1162 . 17 1 1 A 121 121 MET HA H 121 4.630 5.112 -0.482 1 1 1170 . 17 1 1 A 121 121 MET C C 121 173.300 174.908 -1.608 1 1 1171 . 17 1 1 A 121 121 MET CA C 121 54.600 54.288 0.312 1 1 1172 . 17 1 1 A 121 121 MET CB C 121 36.800 35.817 0.983 1 1 1175 . 17 1 1 A 121 121 MET N N 121 120.400 122.384 -1.984 1 1 1176 . 17 1 1 A 122 122 ASP H H 122 8.460 8.717 -0.257 1 1 1177 . 17 1 1 A 122 122 ASP HA H 122 4.170 4.671 -0.501 1 1 1180 . 17 1 1 A 122 122 ASP C C 122 175.200 177.561 -2.361 1 1 1181 . 17 1 1 A 122 122 ASP CA C 122 55.000 54.748 0.252 1 1 1182 . 17 1 1 A 122 122 ASP CB C 122 41.000 41.148 -0.148 1 1 1183 . 17 1 1 A 122 122 ASP N N 122 116.700 123.292 -6.592 1 1 1184 . 17 1 1 A 123 123 THR H H 123 9.580 8.791 0.789 1 1 1185 . 17 1 1 A 123 123 THR HA H 123 3.670 3.852 -0.182 1 1 1191 . 17 1 1 A 123 123 THR C C 123 174.400 176.038 -1.638 1 1 1192 . 17 1 1 A 123 123 THR CA C 123 68.700 66.648 2.052 1 1 1193 . 17 1 1 A 123 123 THR CB C 123 68.800 68.952 -0.152 1 1 1195 . 17 1 1 A 123 123 THR N N 123 119.600 116.969 2.631 1 1 1196 . 17 1 1 A 124 124 GLN H H 124 8.580 8.118 0.462 1 1 1197 . 17 1 1 A 124 124 GLN HA H 124 3.240 3.395 -0.155 1 1 1202 . 17 1 1 A 124 124 GLN C C 124 177.700 177.972 -0.272 1 1 1203 . 17 1 1 A 124 124 GLN CA C 124 60.100 58.275 1.825 1 1 1204 . 17 1 1 A 124 124 GLN CB C 124 27.400 28.807 -1.407 1 1 1206 . 17 1 1 A 124 124 GLN N N 124 121.500 120.884 0.616 1 1 1207 . 17 1 1 A 125 125 ALA H H 125 8.210 7.963 0.247 1 1 1208 . 17 1 1 A 125 125 ALA HA H 125 3.960 4.130 -0.170 1 1 1212 . 17 1 1 A 125 125 ALA C C 125 167.800 179.790 -11.990 1 1 1213 . 17 1 1 A 125 125 ALA CA C 125 54.800 54.817 -0.017 1 1 1214 . 17 1 1 A 125 125 ALA CB C 125 18.700 18.293 0.407 1 1 1215 . 17 1 1 A 125 125 ALA N N 125 122.600 121.422 1.178 1 1 1216 . 17 1 1 A 126 126 ALA H H 126 8.900 8.530 0.370 1 1 1217 . 17 1 1 A 126 126 ALA HA H 126 4.110 4.068 0.042 1 1 1221 . 17 1 1 A 126 126 ALA C C 126 178.500 179.100 -0.600 1 1 1222 . 17 1 1 A 126 126 ALA CA C 126 55.300 54.817 0.483 1 1 1223 . 17 1 1 A 126 126 ALA CB C 126 18.100 18.713 -0.613 1 1 1224 . 17 1 1 A 126 126 ALA N N 126 124.600 120.550 4.050 1 1 1225 . 17 1 1 A 127 127 ALA H H 127 8.440 8.010 0.430 1 1 1226 . 17 1 1 A 127 127 ALA HA H 127 3.850 4.021 -0.171 1 1 1230 . 17 1 1 A 127 127 ALA C C 127 178.400 179.119 -0.719 1 1 1231 . 17 1 1 A 127 127 ALA CA C 127 55.500 55.176 0.324 1 1 1232 . 17 1 1 A 127 127 ALA CB C 127 18.500 18.011 0.489 1 1 1233 . 17 1 1 A 127 127 ALA N N 127 120.200 119.649 0.551 1 1 1234 . 17 1 1 A 128 128 ARG H H 128 7.790 7.641 0.149 1 1 1235 . 17 1 1 A 128 128 ARG HA H 128 4.020 4.042 -0.022 1 1 1240 . 17 1 1 A 128 128 ARG C C 128 179.400 178.924 0.476 1 1 1241 . 17 1 1 A 128 128 ARG CA C 128 59.600 59.666 -0.066 1 1 1242 . 17 1 1 A 128 128 ARG CB C 128 30.800 29.572 1.228 1 1 1244 . 17 1 1 A 128 128 ARG N N 128 115.900 119.293 -3.393 1 1 1245 . 17 1 1 A 129 129 THR H H 129 8.440 8.166 0.274 1 1 1246 . 17 1 1 A 129 129 THR HA H 129 3.770 3.962 -0.192 1 1 1251 . 17 1 1 A 129 129 THR C C 129 175.300 176.089 -0.789 1 1 1252 . 17 1 1 A 129 129 THR CA C 129 67.300 66.525 0.775 1 1 1253 . 17 1 1 A 129 129 THR CB C 129 68.300 68.576 -0.276 1 1 1255 . 17 1 1 A 129 129 THR N N 129 116.400 115.172 1.228 1 1 1256 . 17 1 1 A 130 130 TYR H H 130 8.790 8.525 0.265 1 1 1257 . 17 1 1 A 130 130 TYR HA H 130 3.600 4.032 -0.432 1 1 1262 . 17 1 1 A 130 130 TYR C C 130 175.500 177.114 -1.614 1 1 1263 . 17 1 1 A 130 130 TYR CA C 130 62.600 62.417 0.183 1 1 1264 . 17 1 1 A 130 130 TYR CB C 130 37.500 38.528 -1.028 1 1 1265 . 17 1 1 A 130 130 TYR N N 130 123.500 121.779 1.721 1 1 1266 . 17 1 1 A 131 131 ASN H H 131 7.800 8.494 -0.694 1 1 1267 . 17 1 1 A 131 131 ASN HA H 131 4.220 4.148 0.072 1 1 1270 . 17 1 1 A 131 131 ASN C C 131 179.200 178.214 0.986 1 1 1271 . 17 1 1 A 131 131 ASN CA C 131 55.500 56.165 -0.665 1 1 1272 . 17 1 1 A 131 131 ASN CB C 131 37.100 37.938 -0.838 1 1 1273 . 17 1 1 A 131 131 ASN N N 131 117.700 117.388 0.312 1 1 1274 . 17 1 1 A 132 132 ILE H H 132 7.520 7.802 -0.282 1 1 1275 . 17 1 1 A 132 132 ILE HA H 132 3.710 3.573 0.137 1 1 1285 . 17 1 1 A 132 132 ILE C C 132 178.100 178.211 -0.111 1 1 1286 . 17 1 1 A 132 132 ILE CA C 132 64.900 65.733 -0.833 1 1 1287 . 17 1 1 A 132 132 ILE CB C 132 38.500 38.291 0.209 1 1 1291 . 17 1 1 A 132 132 ILE N N 132 121.000 120.111 0.889 1 1 1292 . 17 1 1 A 133 133 LEU H H 133 8.420 8.450 -0.030 1 1 1293 . 17 1 1 A 133 133 LEU HA H 133 3.910 3.949 -0.039 1 1 1303 . 17 1 1 A 133 133 LEU C C 133 179.600 179.470 0.130 1 1 1304 . 17 1 1 A 133 133 LEU CA C 133 57.900 57.925 -0.025 1 1 1305 . 17 1 1 A 133 133 LEU CB C 133 41.700 40.640 1.060 1 1 1309 . 17 1 1 A 133 133 LEU N N 133 120.500 118.115 2.385 1 1 1310 . 17 1 1 A 134 134 MET H H 134 8.990 8.396 0.594 1 1 1311 . 17 1 1 A 134 134 MET HA H 134 3.870 4.092 -0.222 1 1 1319 . 17 1 1 A 134 134 MET C C 134 167.400 177.869 -10.469 1 1 1320 . 17 1 1 A 134 134 MET CA C 134 58.400 58.434 -0.034 1 1 1321 . 17 1 1 A 134 134 MET CB C 134 30.700 31.816 -1.116 1 1 1324 . 17 1 1 A 134 134 MET N N 134 119.900 118.462 1.438 1 1 1325 . 17 1 1 A 135 135 ALA H H 135 7.490 7.874 -0.384 1 1 1326 . 17 1 1 A 135 135 ALA HA H 135 4.060 3.988 0.072 1 1 1330 . 17 1 1 A 135 135 ALA C C 135 179.100 178.714 0.386 1 1 1331 . 17 1 1 A 135 135 ALA CA C 135 54.700 54.634 0.066 1 1 1332 . 17 1 1 A 135 135 ALA CB C 135 18.000 18.227 -0.227 1 1 1333 . 17 1 1 A 135 135 ALA N N 135 124.600 121.691 2.909 1 1 1334 . 17 1 1 A 136 136 GLU H H 136 7.540 7.612 -0.072 1 1 1335 . 17 1 1 A 136 136 GLU HA H 136 4.230 4.352 -0.122 1 1 1340 . 17 1 1 A 136 136 GLU C C 136 176.900 176.912 -0.012 1 1 1341 . 17 1 1 A 136 136 GLU CA C 136 56.400 56.308 0.092 1 1 1342 . 17 1 1 A 136 136 GLU CB C 136 30.300 30.357 -0.057 1 1 1344 . 17 1 1 A 136 136 GLU N N 136 116.500 116.163 0.337 1 1 1345 . 17 1 1 A 137 137 GLY H H 137 7.870 7.926 -0.056 1 1 1346 . 17 1 1 A 137 137 GLY HA2 H 137 3.760 3.912 -0.152 1 1 1347 . 17 1 1 A 137 137 GLY HA3 H 137 4.140 3.921 0.219 1 1 1348 . 17 1 1 A 137 137 GLY C C 137 175.100 174.083 1.017 1 1 1349 . 17 1 1 A 137 137 GLY CA C 137 45.600 46.479 -0.879 1 1 1350 . 17 1 1 A 137 137 GLY N N 137 107.100 109.595 -2.495 1 1 1351 . 17 1 1 A 138 138 ARG H H 138 7.580 7.603 -0.023 1 1 1352 . 17 1 1 A 138 138 ARG HA H 138 4.270 4.732 -0.462 1 1 1357 . 17 1 1 A 138 138 ARG C C 138 176.900 174.988 1.912 1 1 1358 . 17 1 1 A 138 138 ARG CA C 138 54.500 54.140 0.360 1 1 1359 . 17 1 1 A 138 138 ARG CB C 138 30.100 33.352 -3.252 1 1 1361 . 17 1 1 A 138 138 ARG N N 138 118.100 120.107 -2.007 1 1 1362 . 17 1 1 A 139 139 ARG H H 139 9.240 8.402 0.838 1 1 1363 . 17 1 1 A 139 139 ARG HA H 139 4.470 4.547 -0.077 1 1 1370 . 17 1 1 A 139 139 ARG C C 139 174.400 175.407 -1.007 1 1 1371 . 17 1 1 A 139 139 ARG CA C 139 55.700 56.150 -0.450 1 1 1372 . 17 1 1 A 139 139 ARG CB C 139 28.000 30.420 -2.420 1 1 1375 . 17 1 1 A 139 139 ARG N N 139 124.400 124.020 0.380 1 1 1376 . 17 1 1 A 140 140 VAL H H 140 7.250 8.628 -1.378 1 1 1377 . 17 1 1 A 140 140 VAL HA H 140 5.180 5.041 0.139 1 1 1385 . 17 1 1 A 140 140 VAL C C 140 172.800 173.763 -0.963 1 1 1386 . 17 1 1 A 140 140 VAL CA C 140 57.700 59.955 -2.255 1 1 1387 . 17 1 1 A 140 140 VAL CB C 140 34.700 35.295 -0.595 1 1 1390 . 17 1 1 A 140 140 VAL N N 140 121.900 122.716 -0.816 1 1 1391 . 17 1 1 A 141 141 VAL H H 141 8.180 8.560 -0.380 1 1 1392 . 17 1 1 A 141 141 VAL HA H 141 4.510 4.834 -0.324 1 1 1400 . 17 1 1 A 141 141 VAL C C 141 172.600 174.210 -1.610 1 1 1401 . 17 1 1 A 141 141 VAL CA C 141 60.300 60.717 -0.417 1 1 1402 . 17 1 1 A 141 141 VAL CB C 141 35.600 35.196 0.404 1 1 1405 . 17 1 1 A 141 141 VAL N N 141 123.900 127.980 -4.080 1 1 1406 . 17 1 1 A 142 142 VAL H H 142 8.430 8.425 0.005 1 1 1407 . 17 1 1 A 142 142 VAL HA H 142 5.220 4.935 0.285 1 1 1415 . 17 1 1 A 142 142 VAL C C 142 170.000 172.660 -2.660 1 1 1416 . 17 1 1 A 142 142 VAL CA C 142 57.600 58.941 -1.341 1 1 1417 . 17 1 1 A 142 142 VAL CB C 142 35.500 34.953 0.547 1 1 1420 . 17 1 1 A 142 142 VAL N N 142 124.600 126.420 -1.820 1 1 1421 . 17 1 1 A 143 143 ALA H H 143 8.220 9.014 -0.794 1 1 1422 . 17 1 1 A 143 143 ALA HA H 143 4.680 5.070 -0.390 1 1 1426 . 17 1 1 A 143 143 ALA C C 143 175.400 175.310 0.090 1 1 1427 . 17 1 1 A 143 143 ALA CA C 143 49.900 49.878 0.022 1 1 1428 . 17 1 1 A 143 143 ALA CB C 143 19.600 20.394 -0.794 1 1 1429 . 17 1 1 A 143 143 ALA N N 143 129.100 129.817 -0.717 1 1 1430 . 17 1 1 A 144 144 LEU H H 144 9.070 9.271 -0.201 1 1 1431 . 17 1 1 A 144 144 LEU HA H 144 4.840 5.096 -0.256 1 1 1441 . 17 1 1 A 144 144 LEU CA C 144 53.400 53.749 -0.349 1 1 1442 . 17 1 1 A 144 144 LEU CB C 144 46.500 43.148 3.352 1 1 1445 . 17 1 1 A 144 144 LEU N N 144 119.600 123.831 -4.231 1 1 1446 . 17 1 1 A 145 145 LEU HA H 145 4.830 5.072 -0.242 1 1 1456 . 17 1 1 A 145 145 LEU CA C 145 51.800 51.528 0.272 1 1 1457 . 17 1 1 A 145 145 LEU CB C 145 41.700 43.247 -1.547 1 1 1461 . 17 1 1 A 146 146 PRO HA H 146 4.330 4.786 -0.456 1 1 1466 . 17 1 1 A 146 146 PRO C C 146 175.700 175.665 0.035 1 1 1467 . 17 1 1 A 146 146 PRO CA C 146 62.800 62.224 0.576 1 1 1468 . 17 1 1 A 146 146 PRO CB C 146 31.500 33.233 -1.733 1 1 1470 . 17 1 1 A 147 147 ASP H H 147 8.660 8.587 0.073 1 1 1471 . 17 1 1 A 147 147 ASP HA H 147 4.510 5.357 -0.847 1 1 1474 . 17 1 1 A 147 147 ASP C C 147 176.300 175.244 1.056 1 1 1475 . 17 1 1 A 147 147 ASP CA C 147 54.300 52.584 1.716 1 1 1476 . 17 1 1 A 147 147 ASP CB C 147 42.100 44.624 -2.524 1 1 1477 . 17 1 1 A 147 147 ASP N N 147 120.700 120.931 -0.231 1 1 1478 . 17 1 1 A 148 148 GLY H H 148 8.310 8.261 0.049 1 1 1479 . 17 1 1 A 148 148 GLY HA2 H 148 4.020 4.019 0.001 1 1 1480 . 17 1 1 A 148 148 GLY HA3 H 148 4.050 4.035 0.015 1 1 1481 . 17 1 1 A 148 148 GLY C C 148 173.600 174.206 -0.606 1 1 1482 . 17 1 1 A 148 148 GLY CA C 148 45.200 45.560 -0.360 1 1 1483 . 17 1 1 A 148 148 GLY N N 148 109.400 110.436 -1.036 1 1 1484 . 17 1 1 A 149 149 ASP H H 149 8.550 8.005 0.545 1 1 1485 . 17 1 1 A 149 149 ASP HA H 149 4.650 4.987 -0.337 1 1 1488 . 17 1 1 A 149 149 ASP C C 149 176.700 175.707 0.993 1 1 1489 . 17 1 1 A 149 149 ASP CA C 149 54.500 53.180 1.320 1 1 1490 . 17 1 1 A 149 149 ASP CB C 149 41.600 41.531 0.069 1 1 1491 . 17 1 1 A 149 149 ASP N N 149 120.800 122.803 -2.003 1 1 1492 . 17 1 1 A 150 150 SER H H 150 8.600 8.892 -0.292 1 1 1493 . 17 1 1 A 150 150 SER HA H 150 4.350 4.848 -0.498 1 1 1496 . 17 1 1 A 150 150 SER C C 150 175.000 175.806 -0.806 1 1 1497 . 17 1 1 A 150 150 SER CA C 150 58.900 57.302 1.598 1 1 1498 . 17 1 1 A 150 150 SER CB C 150 63.500 65.492 -1.992 1 1 1499 . 17 1 1 A 150 150 SER N N 150 116.400 119.308 -2.908 1 1 1500 . 17 1 1 A 151 151 LEU H H 151 8.290 8.646 -0.356 1 1 1501 . 17 1 1 A 151 151 LEU CA C 151 55.500 56.662 -1.162 1 1 1502 . 17 1 1 A 151 151 LEU CB C 151 41.900 42.852 -0.952 1 1 5 . 18 1 1 A 4 4 HIS C C 4 174.800 176.011 -1.211 1 1 6 . 18 1 1 A 4 4 HIS CA C 4 55.900 56.534 -0.634 1 1 7 . 18 1 1 A 4 4 HIS CB C 4 30.000 32.482 -2.482 1 1 8 . 18 1 1 A 5 5 THR H H 5 7.990 7.809 0.181 1 1 9 . 18 1 1 A 5 5 THR C C 5 173.800 174.971 -1.171 1 1 10 . 18 1 1 A 5 5 THR CA C 5 61.500 65.664 -4.164 1 1 11 . 18 1 1 A 5 5 THR CB C 5 69.900 69.608 0.292 1 1 12 . 18 1 1 A 5 5 THR N N 5 115.300 112.767 2.533 1 1 13 . 18 1 1 A 6 6 ASP H H 6 8.370 7.896 0.474 1 1 14 . 18 1 1 A 6 6 ASP HA H 6 4.860 4.813 0.047 1 1 17 . 18 1 1 A 6 6 ASP CA C 6 52.500 53.033 -0.533 1 1 18 . 18 1 1 A 6 6 ASP CB C 6 41.100 40.351 0.749 1 1 19 . 18 1 1 A 6 6 ASP N N 6 124.400 120.629 3.771 1 1 20 . 18 1 1 A 7 7 PRO HA H 7 4.350 4.532 -0.182 1 1 26 . 18 1 1 A 7 7 PRO C C 7 176.900 176.533 0.367 1 1 27 . 18 1 1 A 7 7 PRO CA C 7 63.500 62.809 0.691 1 1 28 . 18 1 1 A 7 7 PRO CB C 7 32.100 32.658 -0.558 1 1 31 . 18 1 1 A 8 8 ALA H H 8 8.420 8.540 -0.120 1 1 32 . 18 1 1 A 8 8 ALA HA H 8 4.260 4.266 -0.006 1 1 36 . 18 1 1 A 8 8 ALA C C 8 178.100 176.896 1.204 1 1 37 . 18 1 1 A 8 8 ALA CA C 8 52.900 53.038 -0.138 1 1 38 . 18 1 1 A 8 8 ALA CB C 8 19.200 19.370 -0.170 1 1 39 . 18 1 1 A 8 8 ALA N N 8 122.700 122.358 0.342 1 1 40 . 18 1 1 A 9 9 THR H H 9 7.880 7.396 0.484 1 1 41 . 18 1 1 A 9 9 THR HA H 9 4.230 4.787 -0.557 1 1 46 . 18 1 1 A 9 9 THR C C 9 173.800 173.374 0.426 1 1 47 . 18 1 1 A 9 9 THR CA C 9 61.700 59.552 2.148 1 1 48 . 18 1 1 A 9 9 THR CB C 9 69.700 71.112 -1.412 1 1 50 . 18 1 1 A 9 9 THR N N 9 112.900 108.973 3.927 1 1 51 . 18 1 1 A 10 10 ALA H H 10 8.160 8.796 -0.636 1 1 52 . 18 1 1 A 10 10 ALA HA H 10 4.340 4.343 -0.003 1 1 56 . 18 1 1 A 10 10 ALA C C 10 177.000 176.817 0.183 1 1 57 . 18 1 1 A 10 10 ALA CA C 10 52.300 51.688 0.612 1 1 58 . 18 1 1 A 10 10 ALA CB C 10 19.400 17.345 2.055 1 1 59 . 18 1 1 A 10 10 ALA N N 10 127.000 127.084 -0.084 1 1 60 . 18 1 1 A 11 11 LEU H H 11 8.040 8.258 -0.218 1 1 61 . 18 1 1 A 11 11 LEU HA H 11 4.640 4.530 0.110 1 1 70 . 18 1 1 A 11 11 LEU C C 11 178.300 176.895 1.405 1 1 71 . 18 1 1 A 11 11 LEU CA C 11 54.000 55.508 -1.508 1 1 72 . 18 1 1 A 11 11 LEU CB C 11 42.900 44.753 -1.853 1 1 75 . 18 1 1 A 11 11 LEU N N 11 121.500 121.958 -0.458 1 1 76 . 18 1 1 A 12 12 ASN H H 12 9.700 7.579 2.121 1 1 77 . 18 1 1 A 12 12 ASN HA H 12 4.760 4.396 0.364 1 1 80 . 18 1 1 A 12 12 ASN C C 12 174.700 174.735 -0.035 1 1 81 . 18 1 1 A 12 12 ASN CA C 12 54.100 54.578 -0.478 1 1 82 . 18 1 1 A 12 12 ASN CB C 12 38.100 37.381 0.719 1 1 83 . 18 1 1 A 12 12 ASN N N 12 121.500 115.221 6.279 1 1 84 . 18 1 1 A 13 13 THR H H 13 8.710 7.898 0.812 1 1 85 . 18 1 1 A 13 13 THR HA H 13 4.760 4.484 0.276 1 1 90 . 18 1 1 A 13 13 THR C C 13 173.600 174.432 -0.832 1 1 91 . 18 1 1 A 13 13 THR CA C 13 61.900 63.819 -1.919 1 1 92 . 18 1 1 A 13 13 THR CB C 13 71.500 69.115 2.385 1 1 94 . 18 1 1 A 13 13 THR N N 13 121.800 113.517 8.283 1 1 95 . 18 1 1 A 14 14 VAL H H 14 9.500 8.863 0.637 1 1 96 . 18 1 1 A 14 14 VAL HA H 14 4.660 4.025 0.635 1 1 104 . 18 1 1 A 14 14 VAL C C 14 177.000 177.450 -0.450 1 1 105 . 18 1 1 A 14 14 VAL CA C 14 63.800 63.368 0.432 1 1 106 . 18 1 1 A 14 14 VAL CB C 14 30.600 30.921 -0.321 1 1 109 . 18 1 1 A 14 14 VAL N N 14 126.700 126.380 0.320 1 1 110 . 18 1 1 A 15 15 THR H H 15 8.900 8.542 0.358 1 1 111 . 18 1 1 A 15 15 THR HA H 15 4.300 4.271 0.029 1 1 116 . 18 1 1 A 15 15 THR C C 15 174.900 174.722 0.178 1 1 117 . 18 1 1 A 15 15 THR CA C 15 62.800 63.665 -0.865 1 1 118 . 18 1 1 A 15 15 THR CB C 15 68.700 69.169 -0.469 1 1 120 . 18 1 1 A 15 15 THR N N 15 122.000 119.877 2.123 1 1 121 . 18 1 1 A 16 16 ALA H H 16 7.960 7.547 0.413 1 1 122 . 18 1 1 A 16 16 ALA HA H 16 4.360 4.756 -0.396 1 1 126 . 18 1 1 A 16 16 ALA C C 16 174.400 174.624 -0.224 1 1 127 . 18 1 1 A 16 16 ALA CA C 16 52.600 51.578 1.022 1 1 128 . 18 1 1 A 16 16 ALA CB C 16 21.900 22.827 -0.927 1 1 129 . 18 1 1 A 16 16 ALA N N 16 120.900 120.865 0.035 1 1 130 . 18 1 1 A 17 17 TYR H H 17 7.790 8.951 -1.161 1 1 131 . 18 1 1 A 17 17 TYR HA H 17 4.390 5.296 -0.906 1 1 136 . 18 1 1 A 17 17 TYR C C 17 173.000 174.054 -1.054 1 1 137 . 18 1 1 A 17 17 TYR CA C 17 56.400 55.456 0.944 1 1 138 . 18 1 1 A 17 17 TYR CB C 17 39.700 41.364 -1.664 1 1 141 . 18 1 1 A 17 17 TYR N N 17 114.800 122.954 -8.154 1 1 142 . 18 1 1 A 18 18 GLY H H 18 7.030 7.973 -0.943 1 1 143 . 18 1 1 A 18 18 GLY HA2 H 18 3.210 3.208 0.002 1 1 144 . 18 1 1 A 18 18 GLY HA3 H 18 3.900 4.065 -0.165 1 1 145 . 18 1 1 A 18 18 GLY C C 18 172.200 171.531 0.669 1 1 146 . 18 1 1 A 18 18 GLY CA C 18 44.900 43.368 1.532 1 1 147 . 18 1 1 A 18 18 GLY N N 18 108.600 111.918 -3.318 1 1 148 . 18 1 1 A 19 19 ASP H H 19 8.410 8.488 -0.078 1 1 149 . 18 1 1 A 19 19 ASP HA H 19 4.320 4.248 0.072 1 1 152 . 18 1 1 A 19 19 ASP C C 19 176.500 176.989 -0.489 1 1 153 . 18 1 1 A 19 19 ASP CA C 19 55.600 55.813 -0.213 1 1 154 . 18 1 1 A 19 19 ASP CB C 19 39.500 39.900 -0.400 1 1 155 . 18 1 1 A 19 19 ASP N N 19 120.400 120.274 0.126 1 1 156 . 18 1 1 A 20 20 GLY H H 20 8.670 8.021 0.649 1 1 157 . 18 1 1 A 20 20 GLY HA2 H 20 3.670 3.888 -0.218 1 1 158 . 18 1 1 A 20 20 GLY HA3 H 20 4.210 3.943 0.267 1 1 159 . 18 1 1 A 20 20 GLY C C 20 173.900 173.105 0.795 1 1 160 . 18 1 1 A 20 20 GLY CA C 20 45.800 45.614 0.186 1 1 161 . 18 1 1 A 20 20 GLY N N 20 113.500 112.044 1.456 1 1 162 . 18 1 1 A 21 21 TYR H H 21 7.530 6.767 0.763 1 1 163 . 18 1 1 A 21 21 TYR HA H 21 5.480 4.979 0.501 1 1 168 . 18 1 1 A 21 21 TYR C C 21 172.800 172.605 0.195 1 1 169 . 18 1 1 A 21 21 TYR CA C 21 56.700 56.142 0.558 1 1 170 . 18 1 1 A 21 21 TYR CB C 21 41.400 40.163 1.237 1 1 173 . 18 1 1 A 21 21 TYR N N 21 114.300 115.020 -0.720 1 1 174 . 18 1 1 A 22 22 ILE H H 22 8.780 8.690 0.090 1 1 175 . 18 1 1 A 22 22 ILE HA H 22 4.350 4.546 -0.196 1 1 185 . 18 1 1 A 22 22 ILE C C 22 173.800 174.495 -0.695 1 1 186 . 18 1 1 A 22 22 ILE CA C 22 60.200 60.120 0.080 1 1 187 . 18 1 1 A 22 22 ILE CB C 22 41.700 40.150 1.550 1 1 191 . 18 1 1 A 22 22 ILE N N 22 119.300 120.981 -1.681 1 1 192 . 18 1 1 A 23 23 GLU H H 23 9.010 9.236 -0.226 1 1 193 . 18 1 1 A 23 23 GLU HA H 23 5.680 5.241 0.439 1 1 198 . 18 1 1 A 23 23 GLU C C 23 175.000 175.659 -0.659 1 1 199 . 18 1 1 A 23 23 GLU CA C 23 54.300 55.432 -1.132 1 1 200 . 18 1 1 A 23 23 GLU CB C 23 33.500 31.151 2.349 1 1 202 . 18 1 1 A 23 23 GLU N N 23 127.800 128.217 -0.417 1 1 203 . 18 1 1 A 24 24 VAL H H 24 8.980 8.971 0.009 1 1 204 . 18 1 1 A 24 24 VAL HA H 24 4.840 4.972 -0.132 1 1 212 . 18 1 1 A 24 24 VAL C C 24 177.300 176.254 1.046 1 1 213 . 18 1 1 A 24 24 VAL CA C 24 60.600 61.202 -0.602 1 1 214 . 18 1 1 A 24 24 VAL CB C 24 33.600 33.815 -0.215 1 1 217 . 18 1 1 A 24 24 VAL N N 24 125.400 127.439 -2.039 1 1 218 . 18 1 1 A 25 25 ASN H H 25 9.340 9.334 0.006 1 1 219 . 18 1 1 A 25 25 ASN HA H 25 4.340 4.333 0.007 1 1 222 . 18 1 1 A 25 25 ASN C C 25 173.800 174.218 -0.418 1 1 223 . 18 1 1 A 25 25 ASN CA C 25 54.600 54.300 0.300 1 1 224 . 18 1 1 A 25 25 ASN CB C 25 36.600 37.143 -0.543 1 1 225 . 18 1 1 A 25 25 ASN N N 25 127.800 126.810 0.990 1 1 226 . 18 1 1 A 26 26 GLN H H 26 7.920 8.459 -0.539 1 1 227 . 18 1 1 A 26 26 GLN HA H 26 3.670 3.813 -0.143 1 1 232 . 18 1 1 A 26 26 GLN C C 26 174.400 174.468 -0.068 1 1 233 . 18 1 1 A 26 26 GLN CA C 26 58.100 57.273 0.827 1 1 234 . 18 1 1 A 26 26 GLN CB C 26 26.500 26.749 -0.249 1 1 236 . 18 1 1 A 26 26 GLN N N 26 104.100 109.858 -5.758 1 1 237 . 18 1 1 A 27 27 VAL H H 27 7.850 7.540 0.310 1 1 238 . 18 1 1 A 27 27 VAL HA H 27 3.900 3.999 -0.099 1 1 246 . 18 1 1 A 27 27 VAL C C 27 174.200 174.849 -0.649 1 1 247 . 18 1 1 A 27 27 VAL CA C 27 62.100 61.614 0.486 1 1 248 . 18 1 1 A 27 27 VAL CB C 27 32.500 32.446 0.054 1 1 251 . 18 1 1 A 27 27 VAL N N 27 123.100 119.823 3.277 1 1 252 . 18 1 1 A 28 28 ARG H H 28 8.430 8.684 -0.254 1 1 253 . 18 1 1 A 28 28 ARG HA H 28 4.320 4.644 -0.324 1 1 256 . 18 1 1 A 28 28 ARG C C 28 175.200 174.983 0.217 1 1 257 . 18 1 1 A 28 28 ARG CA C 28 57.100 55.338 1.762 1 1 258 . 18 1 1 A 28 28 ARG CB C 28 31.300 30.302 0.998 1 1 259 . 18 1 1 A 28 28 ARG N N 28 126.200 127.782 -1.582 1 1 260 . 18 1 1 A 29 29 PHE H H 29 9.290 9.375 -0.085 1 1 261 . 18 1 1 A 29 29 PHE HA H 29 4.580 4.529 0.051 1 1 266 . 18 1 1 A 29 29 PHE C C 29 175.800 174.961 0.839 1 1 267 . 18 1 1 A 29 29 PHE CA C 29 57.700 56.947 0.753 1 1 268 . 18 1 1 A 29 29 PHE CB C 29 42.000 37.723 4.277 1 1 271 . 18 1 1 A 29 29 PHE N N 29 123.900 125.745 -1.845 1 1 272 . 18 1 1 A 30 30 SER H H 30 8.950 8.633 0.317 1 1 273 . 18 1 1 A 30 30 SER HA H 30 5.130 4.655 0.475 1 1 276 . 18 1 1 A 30 30 SER C C 30 172.900 173.169 -0.269 1 1 277 . 18 1 1 A 30 30 SER CA C 30 57.000 57.919 -0.919 1 1 278 . 18 1 1 A 30 30 SER CB C 30 63.200 61.246 1.954 1 1 279 . 18 1 1 A 30 30 SER N N 30 119.400 122.071 -2.671 1 1 280 . 18 1 1 A 31 31 HIS H H 31 7.170 7.300 -0.130 1 1 281 . 18 1 1 A 31 31 HIS HA H 31 4.840 4.995 -0.155 1 1 284 . 18 1 1 A 31 31 HIS C C 31 171.900 172.715 -0.815 1 1 285 . 18 1 1 A 31 31 HIS CA C 31 53.200 54.612 -1.412 1 1 286 . 18 1 1 A 31 31 HIS CB C 31 31.100 30.971 0.129 1 1 287 . 18 1 1 A 31 31 HIS N N 31 114.600 116.376 -1.776 1 1 288 . 18 1 1 A 32 32 ALA H H 32 8.930 8.057 0.873 1 1 289 . 18 1 1 A 32 32 ALA HA H 32 5.050 4.643 0.407 1 1 293 . 18 1 1 A 32 32 ALA C C 32 179.000 177.815 1.185 1 1 294 . 18 1 1 A 32 32 ALA CA C 32 53.700 52.878 0.822 1 1 295 . 18 1 1 A 32 32 ALA CB C 32 20.700 19.270 1.430 1 1 296 . 18 1 1 A 32 32 ALA N N 32 120.200 122.777 -2.577 1 1 297 . 18 1 1 A 33 33 ILE H H 33 8.280 9.037 -0.757 1 1 298 . 18 1 1 A 33 33 ILE HA H 33 5.520 5.081 0.439 1 1 308 . 18 1 1 A 33 33 ILE C C 33 173.400 174.352 -0.952 1 1 309 . 18 1 1 A 33 33 ILE CA C 33 59.500 59.130 0.370 1 1 310 . 18 1 1 A 33 33 ILE CB C 33 44.500 41.661 2.839 1 1 313 . 18 1 1 A 33 33 ILE N N 33 115.800 118.346 -2.546 1 1 314 . 18 1 1 A 34 34 ALA H H 34 8.900 9.055 -0.155 1 1 315 . 18 1 1 A 34 34 ALA HA H 34 5.290 5.377 -0.087 1 1 319 . 18 1 1 A 34 34 ALA C C 34 176.100 176.060 0.040 1 1 320 . 18 1 1 A 34 34 ALA CA C 34 51.100 50.138 0.962 1 1 321 . 18 1 1 A 34 34 ALA CB C 34 21.900 20.821 1.079 1 1 322 . 18 1 1 A 34 34 ALA N N 34 121.600 126.132 -4.532 1 1 323 . 18 1 1 A 35 35 PHE H H 35 8.580 8.286 0.294 1 1 324 . 18 1 1 A 35 35 PHE HA H 35 4.740 5.556 -0.816 1 1 330 . 18 1 1 A 35 35 PHE C C 35 170.000 172.653 -2.653 1 1 331 . 18 1 1 A 35 35 PHE CA C 35 57.100 55.379 1.721 1 1 332 . 18 1 1 A 35 35 PHE CB C 35 39.700 42.458 -2.758 1 1 336 . 18 1 1 A 35 35 PHE N N 35 116.600 118.380 -1.780 1 1 337 . 18 1 1 A 36 36 ALA H H 36 8.730 8.803 -0.073 1 1 338 . 18 1 1 A 36 36 ALA HA H 36 5.170 5.000 0.170 1 1 342 . 18 1 1 A 36 36 ALA CA C 36 49.100 49.949 -0.849 1 1 343 . 18 1 1 A 36 36 ALA CB C 36 20.500 22.322 -1.822 1 1 344 . 18 1 1 A 36 36 ALA N N 36 123.400 121.071 2.329 1 1 345 . 18 1 1 A 37 37 PRO HA H 37 4.740 4.510 0.230 1 1 350 . 18 1 1 A 37 37 PRO C C 37 176.500 176.659 -0.159 1 1 351 . 18 1 1 A 37 37 PRO CA C 37 66.200 64.584 1.616 1 1 352 . 18 1 1 A 37 37 PRO CB C 37 33.600 31.993 1.607 1 1 354 . 18 1 1 A 38 38 GLU H H 38 7.450 8.518 -1.068 1 1 355 . 18 1 1 A 38 38 GLU HA H 38 4.790 4.606 0.184 1 1 360 . 18 1 1 A 38 38 GLU C C 38 177.300 175.668 1.632 1 1 361 . 18 1 1 A 38 38 GLU CA C 38 54.200 56.204 -2.004 1 1 362 . 18 1 1 A 38 38 GLU CB C 38 32.600 30.775 1.825 1 1 364 . 18 1 1 A 38 38 GLU N N 38 110.100 116.728 -6.628 1 1 365 . 18 1 1 A 39 39 GLY H H 39 8.600 7.859 0.741 1 1 366 . 18 1 1 A 39 39 GLY HA2 H 39 3.920 4.146 -0.226 1 1 367 . 18 1 1 A 39 39 GLY HA3 H 39 4.440 4.154 0.286 1 1 368 . 18 1 1 A 39 39 GLY CA C 39 44.400 44.914 -0.514 1 1 369 . 18 1 1 A 39 39 GLY N N 39 109.500 107.723 1.777 1 1 370 . 18 1 1 A 40 40 PRO HA H 40 4.550 4.596 -0.046 1 1 375 . 18 1 1 A 40 40 PRO C C 40 177.100 175.601 1.499 1 1 376 . 18 1 1 A 40 40 PRO CA C 40 62.500 62.497 0.003 1 1 377 . 18 1 1 A 40 40 PRO CB C 40 32.700 32.981 -0.281 1 1 378 . 18 1 1 A 41 41 VAL H H 41 8.530 9.303 -0.773 1 1 379 . 18 1 1 A 41 41 VAL HA H 41 3.900 4.252 -0.352 1 1 387 . 18 1 1 A 41 41 VAL C C 41 175.200 175.305 -0.105 1 1 388 . 18 1 1 A 41 41 VAL CA C 41 63.000 61.728 1.272 1 1 389 . 18 1 1 A 41 41 VAL CB C 41 31.100 30.807 0.293 1 1 392 . 18 1 1 A 41 41 VAL N N 41 123.000 121.333 1.667 1 1 393 . 18 1 1 A 42 42 ALA H H 42 8.320 8.786 -0.466 1 1 394 . 18 1 1 A 42 42 ALA HA H 42 4.750 4.723 0.027 1 1 398 . 18 1 1 A 42 42 ALA C C 42 177.400 177.063 0.337 1 1 399 . 18 1 1 A 42 42 ALA CA C 42 50.800 51.776 -0.976 1 1 400 . 18 1 1 A 42 42 ALA CB C 42 21.400 18.971 2.429 1 1 401 . 18 1 1 A 42 42 ALA N N 42 131.300 131.118 0.182 1 1 402 . 18 1 1 A 43 43 SER H H 43 8.660 8.874 -0.214 1 1 403 . 18 1 1 A 43 43 SER HA H 43 4.690 4.934 -0.244 1 1 406 . 18 1 1 A 43 43 SER CA C 43 59.000 58.929 0.071 1 1 407 . 18 1 1 A 43 43 SER CB C 43 62.800 64.037 -1.237 1 1 408 . 18 1 1 A 43 43 SER N N 43 115.400 121.253 -5.853 1 1 409 . 18 1 1 A 44 44 TRP HA H 44 5.470 4.983 0.487 1 1 418 . 18 1 1 A 44 44 TRP CA C 44 52.200 55.525 -3.325 1 1 419 . 18 1 1 A 44 44 TRP CB C 44 31.000 30.504 0.496 1 1 426 . 18 1 1 A 45 45 PRO HA H 45 4.550 4.553 -0.003 1 1 431 . 18 1 1 A 45 45 PRO C C 45 173.000 176.094 -3.094 1 1 432 . 18 1 1 A 45 45 PRO CA C 45 63.300 63.390 -0.090 1 1 433 . 18 1 1 A 45 45 PRO CB C 45 27.800 30.969 -3.169 1 1 435 . 18 1 1 A 46 46 VAL H H 46 8.390 7.969 0.421 1 1 436 . 18 1 1 A 46 46 VAL HA H 46 3.770 4.386 -0.616 1 1 444 . 18 1 1 A 46 46 VAL C C 46 174.100 175.556 -1.456 1 1 445 . 18 1 1 A 46 46 VAL CA C 46 61.100 61.231 -0.131 1 1 446 . 18 1 1 A 46 46 VAL CB C 46 35.200 33.470 1.730 1 1 449 . 18 1 1 A 46 46 VAL N N 46 124.300 121.307 2.993 1 1 450 . 18 1 1 A 47 47 GLN H H 47 8.970 8.963 0.007 1 1 451 . 18 1 1 A 47 47 GLN HA H 47 4.430 4.766 -0.336 1 1 456 . 18 1 1 A 47 47 GLN C C 47 175.100 175.436 -0.336 1 1 457 . 18 1 1 A 47 47 GLN CA C 47 56.400 55.717 0.683 1 1 458 . 18 1 1 A 47 47 GLN CB C 47 30.900 30.524 0.376 1 1 459 . 18 1 1 A 47 47 GLN N N 47 122.000 126.020 -4.020 1 1 460 . 18 1 1 A 48 48 ARG H H 48 7.720 7.370 0.350 1 1 461 . 18 1 1 A 48 48 ARG HA H 48 4.750 4.855 -0.105 1 1 468 . 18 1 1 A 48 48 ARG CA C 48 52.800 52.537 0.263 1 1 469 . 18 1 1 A 48 48 ARG CB C 48 30.500 31.796 -1.296 1 1 471 . 18 1 1 A 48 48 ARG N N 48 116.600 118.803 -2.203 1 1 472 . 18 1 1 A 49 49 PRO HA H 49 3.750 4.570 -0.820 1 1 477 . 18 1 1 A 49 49 PRO C C 49 177.500 177.281 0.219 1 1 478 . 18 1 1 A 49 49 PRO CA C 49 65.400 64.319 1.081 1 1 479 . 18 1 1 A 49 49 PRO CB C 49 30.700 31.881 -1.181 1 1 481 . 18 1 1 A 50 50 ALA H H 50 7.960 8.377 -0.417 1 1 482 . 18 1 1 A 50 50 ALA HA H 50 4.010 4.394 -0.384 1 1 486 . 18 1 1 A 50 50 ALA C C 50 177.300 177.543 -0.243 1 1 487 . 18 1 1 A 50 50 ALA CA C 50 53.800 53.013 0.787 1 1 488 . 18 1 1 A 50 50 ALA CB C 50 18.500 18.953 -0.453 1 1 489 . 18 1 1 A 50 50 ALA N N 50 117.200 121.168 -3.968 1 1 490 . 18 1 1 A 51 51 ASP H H 51 7.570 8.051 -0.481 1 1 491 . 18 1 1 A 51 51 ASP HA H 51 4.410 4.696 -0.286 1 1 494 . 18 1 1 A 51 51 ASP C C 51 176.000 176.528 -0.528 1 1 495 . 18 1 1 A 51 51 ASP CA C 51 54.200 54.795 -0.595 1 1 496 . 18 1 1 A 51 51 ASP CB C 51 41.900 41.606 0.294 1 1 497 . 18 1 1 A 51 51 ASP N N 51 114.800 117.270 -2.470 1 1 498 . 18 1 1 A 52 52 ILE H H 52 7.290 7.427 -0.137 1 1 499 . 18 1 1 A 52 52 ILE HA H 52 3.100 3.827 -0.727 1 1 509 . 18 1 1 A 52 52 ILE C C 52 174.800 175.132 -0.332 1 1 510 . 18 1 1 A 52 52 ILE CA C 52 65.100 62.276 2.824 1 1 511 . 18 1 1 A 52 52 ILE CB C 52 37.100 37.811 -0.711 1 1 515 . 18 1 1 A 52 52 ILE N N 52 117.700 122.144 -4.444 1 1 516 . 18 1 1 A 53 53 THR H H 53 6.560 7.933 -1.373 1 1 517 . 18 1 1 A 53 53 THR HA H 53 4.720 4.839 -0.119 1 1 522 . 18 1 1 A 53 53 THR C C 53 174.600 176.160 -1.560 1 1 523 . 18 1 1 A 53 53 THR CA C 53 58.500 59.572 -1.072 1 1 524 . 18 1 1 A 53 53 THR CB C 53 72.900 72.099 0.801 1 1 526 . 18 1 1 A 53 53 THR N N 53 117.300 118.470 -1.170 1 1 527 . 18 1 1 A 54 54 ALA H H 54 9.340 9.150 0.190 1 1 528 . 18 1 1 A 54 54 ALA HA H 54 4.460 4.012 0.448 1 1 532 . 18 1 1 A 54 54 ALA C C 54 167.400 179.771 -12.371 1 1 533 . 18 1 1 A 54 54 ALA CA C 54 55.800 55.369 0.431 1 1 534 . 18 1 1 A 54 54 ALA CB C 54 18.200 18.294 -0.094 1 1 535 . 18 1 1 A 54 54 ALA N N 54 123.800 125.016 -1.216 1 1 536 . 18 1 1 A 55 55 SER H H 55 8.530 8.009 0.521 1 1 537 . 18 1 1 A 55 55 SER HA H 55 4.280 4.080 0.200 1 1 541 . 18 1 1 A 55 55 SER C C 55 177.700 176.167 1.533 1 1 542 . 18 1 1 A 55 55 SER CA C 55 61.600 62.163 -0.563 1 1 543 . 18 1 1 A 55 55 SER CB C 55 62.600 63.160 -0.560 1 1 544 . 18 1 1 A 55 55 SER N N 55 112.600 114.062 -1.462 1 1 545 . 18 1 1 A 56 56 LEU H H 56 7.810 7.956 -0.146 1 1 546 . 18 1 1 A 56 56 LEU HA H 56 4.280 3.855 0.425 1 1 556 . 18 1 1 A 56 56 LEU C C 56 168.100 179.542 -11.442 1 1 557 . 18 1 1 A 56 56 LEU CA C 56 57.900 57.582 0.318 1 1 558 . 18 1 1 A 56 56 LEU CB C 56 42.100 40.650 1.450 1 1 562 . 18 1 1 A 56 56 LEU N N 56 122.500 120.514 1.986 1 1 563 . 18 1 1 A 57 57 LEU H H 57 8.490 7.970 0.520 1 1 564 . 18 1 1 A 57 57 LEU HA H 57 4.180 4.096 0.084 1 1 574 . 18 1 1 A 57 57 LEU C C 57 178.000 179.417 -1.417 1 1 575 . 18 1 1 A 57 57 LEU CA C 57 58.300 58.268 0.032 1 1 576 . 18 1 1 A 57 57 LEU CB C 57 41.200 40.835 0.365 1 1 580 . 18 1 1 A 57 57 LEU N N 57 123.900 119.815 4.085 1 1 581 . 18 1 1 A 58 58 GLN H H 58 8.500 8.202 0.298 1 1 582 . 18 1 1 A 58 58 GLN HA H 58 3.680 4.052 -0.372 1 1 589 . 18 1 1 A 58 58 GLN C C 58 178.200 179.049 -0.849 1 1 590 . 18 1 1 A 58 58 GLN CA C 58 60.200 59.294 0.906 1 1 591 . 18 1 1 A 58 58 GLN CB C 58 28.500 28.098 0.402 1 1 593 . 18 1 1 A 58 58 GLN N N 58 118.800 118.942 -0.142 1 1 595 . 18 1 1 A 59 59 GLN H H 59 8.300 7.743 0.557 1 1 596 . 18 1 1 A 59 59 GLN HA H 59 4.090 4.102 -0.012 1 1 601 . 18 1 1 A 59 59 GLN C C 59 179.900 178.755 1.145 1 1 602 . 18 1 1 A 59 59 GLN CA C 59 58.900 58.840 0.060 1 1 603 . 18 1 1 A 59 59 GLN CB C 59 28.800 28.305 0.495 1 1 605 . 18 1 1 A 59 59 GLN N N 59 118.600 119.156 -0.556 1 1 606 . 18 1 1 A 60 60 ALA H H 60 7.850 8.341 -0.491 1 1 607 . 18 1 1 A 60 60 ALA HA H 60 3.580 4.318 -0.738 1 1 611 . 18 1 1 A 60 60 ALA C C 60 176.700 179.324 -2.624 1 1 612 . 18 1 1 A 60 60 ALA CA C 60 54.700 54.069 0.631 1 1 613 . 18 1 1 A 60 60 ALA CB C 60 17.400 18.611 -1.211 1 1 614 . 18 1 1 A 60 60 ALA N N 60 122.500 121.763 0.737 1 1 615 . 18 1 1 A 61 61 ALA H H 61 7.540 7.373 0.167 1 1 616 . 18 1 1 A 61 61 ALA HA H 61 3.970 4.382 -0.412 1 1 620 . 18 1 1 A 61 61 ALA C C 61 176.300 177.886 -1.586 1 1 621 . 18 1 1 A 61 61 ALA CA C 61 52.400 52.025 0.375 1 1 622 . 18 1 1 A 61 61 ALA CB C 61 19.100 19.257 -0.157 1 1 623 . 18 1 1 A 61 61 ALA N N 61 113.700 118.191 -4.491 1 1 624 . 18 1 1 A 62 62 GLY H H 62 7.600 7.787 -0.187 1 1 625 . 18 1 1 A 62 62 GLY HA2 H 62 3.890 3.960 -0.070 1 1 626 . 18 1 1 A 62 62 GLY HA3 H 62 3.980 3.970 0.010 1 1 627 . 18 1 1 A 62 62 GLY C C 62 175.400 175.500 -0.100 1 1 628 . 18 1 1 A 62 62 GLY CA C 62 45.800 45.437 0.363 1 1 629 . 18 1 1 A 62 62 GLY N N 62 104.800 105.762 -0.962 1 1 630 . 18 1 1 A 63 63 LEU H H 63 7.770 7.821 -0.051 1 1 631 . 18 1 1 A 63 63 LEU HA H 63 4.430 4.310 0.120 1 1 640 . 18 1 1 A 63 63 LEU C C 63 176.400 178.693 -2.293 1 1 641 . 18 1 1 A 63 63 LEU CA C 63 54.000 56.295 -2.295 1 1 642 . 18 1 1 A 63 63 LEU CB C 63 42.500 41.374 1.126 1 1 645 . 18 1 1 A 63 63 LEU N N 63 119.100 121.724 -2.624 1 1 646 . 18 1 1 A 64 64 ALA H H 64 8.060 7.378 0.682 1 1 647 . 18 1 1 A 64 64 ALA HA H 64 4.160 4.284 -0.124 1 1 651 . 18 1 1 A 64 64 ALA C C 64 177.300 177.605 -0.305 1 1 652 . 18 1 1 A 64 64 ALA CA C 64 52.700 53.989 -1.289 1 1 653 . 18 1 1 A 64 64 ALA CB C 64 19.700 19.081 0.619 1 1 654 . 18 1 1 A 64 64 ALA N N 64 122.900 120.231 2.669 1 1 655 . 18 1 1 A 65 65 GLU H H 65 8.260 7.799 0.461 1 1 656 . 18 1 1 A 65 65 GLU C C 65 176.300 175.845 0.455 1 1 657 . 18 1 1 A 65 65 GLU CA C 65 56.400 55.450 0.950 1 1 658 . 18 1 1 A 65 65 GLU CB C 65 30.100 30.647 -0.547 1 1 659 . 18 1 1 A 65 65 GLU N N 65 118.900 117.188 1.712 1 1 660 . 18 1 1 A 66 66 VAL H H 66 7.960 8.438 -0.478 1 1 661 . 18 1 1 A 66 66 VAL HA H 66 4.020 4.469 -0.449 1 1 663 . 18 1 1 A 66 66 VAL C C 66 175.900 175.933 -0.033 1 1 664 . 18 1 1 A 66 66 VAL CA C 66 62.300 61.592 0.708 1 1 665 . 18 1 1 A 66 66 VAL CB C 66 32.800 32.123 0.677 1 1 666 . 18 1 1 A 66 66 VAL N N 66 121.500 121.475 0.025 1 1 667 . 18 1 1 A 67 67 VAL H H 67 8.210 8.471 -0.261 1 1 668 . 18 1 1 A 67 67 VAL C C 67 175.800 175.658 0.142 1 1 669 . 18 1 1 A 67 67 VAL CA C 67 62.200 60.923 1.277 1 1 670 . 18 1 1 A 67 67 VAL CB C 67 32.600 33.469 -0.869 1 1 671 . 18 1 1 A 67 67 VAL N N 67 124.900 125.704 -0.804 1 1 672 . 18 1 1 A 68 68 ARG H H 68 8.380 8.978 -0.598 1 1 673 . 18 1 1 A 68 68 ARG HA H 68 4.270 3.950 0.320 1 1 674 . 18 1 1 A 68 68 ARG C C 68 175.400 175.415 -0.015 1 1 675 . 18 1 1 A 68 68 ARG CA C 68 55.700 57.203 -1.503 1 1 676 . 18 1 1 A 68 68 ARG CB C 68 31.100 29.026 2.074 1 1 677 . 18 1 1 A 68 68 ARG N N 68 125.900 121.503 4.397 1 1 678 . 18 1 1 A 69 69 ASP H H 69 8.390 7.998 0.392 1 1 679 . 18 1 1 A 69 69 ASP HA H 69 4.800 5.095 -0.295 1 1 682 . 18 1 1 A 69 69 ASP CA C 69 51.700 50.696 1.004 1 1 683 . 18 1 1 A 69 69 ASP CB C 69 41.700 41.843 -0.143 1 1 684 . 18 1 1 A 69 69 ASP N N 69 123.600 119.448 4.152 1 1 685 . 18 1 1 A 70 70 PRO HA H 70 4.290 4.645 -0.355 1 1 688 . 18 1 1 A 70 70 PRO C C 70 177.500 177.287 0.213 1 1 689 . 18 1 1 A 70 70 PRO CA C 70 64.100 63.994 0.106 1 1 690 . 18 1 1 A 70 70 PRO CB C 70 32.300 33.086 -0.786 1 1 691 . 18 1 1 A 71 71 LEU H H 71 8.280 8.162 0.118 1 1 692 . 18 1 1 A 71 71 LEU HA H 71 4.260 4.235 0.025 1 1 698 . 18 1 1 A 71 71 LEU C C 71 177.600 178.240 -0.640 1 1 699 . 18 1 1 A 71 71 LEU CA C 71 55.100 56.958 -1.858 1 1 700 . 18 1 1 A 71 71 LEU CB C 71 41.200 42.930 -1.730 1 1 702 . 18 1 1 A 71 71 LEU N N 71 118.400 120.659 -2.259 1 1 703 . 18 1 1 A 72 72 ALA H H 72 7.660 8.190 -0.530 1 1 704 . 18 1 1 A 72 72 ALA HA H 72 4.170 4.103 0.067 1 1 708 . 18 1 1 A 72 72 ALA C C 72 177.400 176.925 0.475 1 1 709 . 18 1 1 A 72 72 ALA CA C 72 52.600 53.886 -1.286 1 1 710 . 18 1 1 A 72 72 ALA CB C 72 19.200 18.855 0.345 1 1 711 . 18 1 1 A 72 72 ALA N N 72 122.900 120.627 2.273 1 1 712 . 18 1 1 A 73 73 PHE H H 73 7.940 7.885 0.055 1 1 713 . 18 1 1 A 73 73 PHE HA H 73 4.510 5.188 -0.678 1 1 717 . 18 1 1 A 73 73 PHE C C 73 175.600 175.835 -0.235 1 1 718 . 18 1 1 A 73 73 PHE CA C 73 57.800 56.545 1.255 1 1 719 . 18 1 1 A 73 73 PHE CB C 73 39.100 42.984 -3.884 1 1 720 . 18 1 1 A 73 73 PHE N N 73 118.200 115.352 2.848 1 1 721 . 18 1 1 A 74 74 LEU H H 74 7.890 8.791 -0.901 1 1 722 . 18 1 1 A 74 74 LEU CA C 74 55.200 55.406 -0.206 1 1 723 . 18 1 1 A 74 74 LEU CB C 74 42.400 42.176 0.224 1 1 724 . 18 1 1 A 74 74 LEU N N 74 122.600 121.629 0.971 1 1 725 . 18 1 1 A 78 78 GLU C C 78 176.600 177.998 -1.398 1 1 726 . 18 1 1 A 78 78 GLU CA C 78 57.500 55.244 2.256 1 1 727 . 18 1 1 A 78 78 GLU CB C 78 30.100 31.238 -1.138 1 1 728 . 18 1 1 A 79 79 ALA H H 79 8.460 8.893 -0.433 1 1 729 . 18 1 1 A 79 79 ALA C C 79 178.300 177.259 1.041 1 1 730 . 18 1 1 A 79 79 ALA CA C 79 52.900 53.755 -0.855 1 1 731 . 18 1 1 A 79 79 ALA CB C 79 19.200 19.290 -0.090 1 1 732 . 18 1 1 A 79 79 ALA N N 79 124.700 123.369 1.331 1 1 733 . 18 1 1 A 80 80 GLY H H 80 8.330 7.437 0.893 1 1 734 . 18 1 1 A 80 80 GLY C C 80 174.100 173.632 0.468 1 1 735 . 18 1 1 A 80 80 GLY CA C 80 45.100 45.775 -0.675 1 1 736 . 18 1 1 A 80 80 GLY N N 80 108.200 102.783 5.417 1 1 737 . 18 1 1 A 81 81 ALA H H 81 8.140 9.163 -1.023 1 1 738 . 18 1 1 A 81 81 ALA HA H 81 4.170 4.345 -0.175 1 1 739 . 18 1 1 A 81 81 ALA C C 81 178.400 177.151 1.249 1 1 740 . 18 1 1 A 81 81 ALA CA C 81 52.800 52.635 0.165 1 1 741 . 18 1 1 A 81 81 ALA CB C 81 19.200 20.023 -0.823 1 1 742 . 18 1 1 A 81 81 ALA N N 81 123.600 128.903 -5.303 1 1 743 . 18 1 1 A 82 82 GLY H H 82 8.400 8.094 0.306 1 1 744 . 18 1 1 A 82 82 GLY HA2 H 82 3.860 4.037 -0.177 1 1 745 . 18 1 1 A 82 82 GLY HA3 H 82 2.880 4.039 -1.159 1 1 746 . 18 1 1 A 82 82 GLY C C 82 173.600 174.778 -1.178 1 1 747 . 18 1 1 A 82 82 GLY CA C 82 45.200 44.587 0.613 1 1 748 . 18 1 1 A 82 82 GLY N N 82 108.000 106.638 1.362 1 1 749 . 18 1 1 A 83 83 ALA H H 83 7.980 8.916 -0.936 1 1 750 . 18 1 1 A 83 83 ALA HA H 83 4.280 4.230 0.050 1 1 754 . 18 1 1 A 83 83 ALA C C 83 177.200 177.557 -0.357 1 1 755 . 18 1 1 A 83 83 ALA CA C 83 52.100 54.004 -1.904 1 1 756 . 18 1 1 A 83 83 ALA CB C 83 19.500 19.069 0.431 1 1 757 . 18 1 1 A 83 83 ALA N N 83 123.300 124.373 -1.073 1 1 758 . 18 1 1 A 84 84 ARG H H 84 8.240 7.529 0.711 1 1 759 . 18 1 1 A 84 84 ARG HA H 84 4.610 4.780 -0.170 1 1 762 . 18 1 1 A 84 84 ARG CA C 84 54.000 53.870 0.130 1 1 763 . 18 1 1 A 84 84 ARG CB C 84 30.500 31.316 -0.816 1 1 764 . 18 1 1 A 84 84 ARG N N 84 121.700 116.678 5.022 1 1 765 . 18 1 1 A 85 85 PRO HA H 85 4.390 4.489 -0.099 1 1 770 . 18 1 1 A 85 85 PRO C C 85 177.000 177.599 -0.599 1 1 771 . 18 1 1 A 85 85 PRO CA C 85 62.900 63.272 -0.372 1 1 772 . 18 1 1 A 85 85 PRO CB C 85 32.200 32.279 -0.079 1 1 773 . 18 1 1 A 86 86 ALA H H 86 8.600 8.701 -0.101 1 1 774 . 18 1 1 A 86 86 ALA HA H 86 4.150 4.069 0.081 1 1 778 . 18 1 1 A 86 86 ALA C C 86 177.800 178.527 -0.727 1 1 779 . 18 1 1 A 86 86 ALA CA C 86 53.400 54.944 -1.544 1 1 780 . 18 1 1 A 86 86 ALA CB C 86 18.900 18.407 0.493 1 1 781 . 18 1 1 A 86 86 ALA N N 86 124.900 127.730 -2.830 1 1 782 . 18 1 1 A 87 87 ASN H H 87 8.380 7.941 0.439 1 1 783 . 18 1 1 A 87 87 ASN HA H 87 4.590 4.866 -0.276 1 1 786 . 18 1 1 A 87 87 ASN C C 87 174.400 173.842 0.558 1 1 787 . 18 1 1 A 87 87 ASN CA C 87 52.600 52.677 -0.077 1 1 788 . 18 1 1 A 87 87 ASN CB C 87 38.300 36.376 1.924 1 1 789 . 18 1 1 A 87 87 ASN N N 87 114.900 113.994 0.906 1 1 790 . 18 1 1 A 88 88 ALA H H 88 7.800 8.030 -0.230 1 1 791 . 18 1 1 A 88 88 ALA HA H 88 4.400 4.693 -0.293 1 1 795 . 18 1 1 A 88 88 ALA CA C 88 50.400 50.044 0.356 1 1 796 . 18 1 1 A 88 88 ALA CB C 88 17.900 19.391 -1.491 1 1 797 . 18 1 1 A 88 88 ALA N N 88 123.600 123.287 0.313 1 1 798 . 18 1 1 A 89 89 PRO HA H 89 4.390 4.485 -0.095 1 1 805 . 18 1 1 A 89 89 PRO C C 89 175.000 177.652 -2.652 1 1 806 . 18 1 1 A 89 89 PRO CA C 89 62.400 63.219 -0.819 1 1 807 . 18 1 1 A 89 89 PRO CB C 89 31.700 32.525 -0.825 1 1 810 . 18 1 1 A 90 90 GLU H H 90 9.000 8.277 0.723 1 1 811 . 18 1 1 A 90 90 GLU HA H 90 4.310 4.248 0.062 1 1 814 . 18 1 1 A 90 90 GLU C C 90 177.300 175.839 1.461 1 1 815 . 18 1 1 A 90 90 GLU CA C 90 58.000 59.205 -1.205 1 1 816 . 18 1 1 A 90 90 GLU CB C 90 31.400 30.506 0.894 1 1 817 . 18 1 1 A 90 90 GLU N N 90 117.700 122.655 -4.955 1 1 818 . 18 1 1 A 91 91 VAL H H 91 7.310 7.560 -0.250 1 1 819 . 18 1 1 A 91 91 VAL HA H 91 4.570 4.680 -0.110 1 1 827 . 18 1 1 A 91 91 VAL C C 91 171.000 173.352 -2.352 1 1 828 . 18 1 1 A 91 91 VAL CA C 91 59.700 59.933 -0.233 1 1 829 . 18 1 1 A 91 91 VAL CB C 91 35.600 35.472 0.128 1 1 832 . 18 1 1 A 91 91 VAL N N 91 115.900 117.781 -1.881 1 1 833 . 18 1 1 A 92 92 LEU H H 92 8.700 9.169 -0.469 1 1 834 . 18 1 1 A 92 92 LEU HA H 92 4.950 5.380 -0.430 1 1 844 . 18 1 1 A 92 92 LEU C C 92 174.300 174.401 -0.101 1 1 845 . 18 1 1 A 92 92 LEU CA C 92 52.700 53.306 -0.606 1 1 846 . 18 1 1 A 92 92 LEU CB C 92 44.100 45.468 -1.368 1 1 850 . 18 1 1 A 92 92 LEU N N 92 128.500 129.685 -1.185 1 1 851 . 18 1 1 A 93 93 LEU H H 93 8.770 9.675 -0.905 1 1 852 . 18 1 1 A 93 93 LEU HA H 93 4.910 5.080 -0.170 1 1 862 . 18 1 1 A 93 93 LEU C C 93 174.900 175.371 -0.471 1 1 863 . 18 1 1 A 93 93 LEU CA C 93 52.600 53.556 -0.956 1 1 864 . 18 1 1 A 93 93 LEU CB C 93 44.300 42.312 1.988 1 1 868 . 18 1 1 A 93 93 LEU N N 93 127.300 128.806 -1.506 1 1 869 . 18 1 1 A 94 94 VAL H H 94 8.800 9.296 -0.496 1 1 870 . 18 1 1 A 94 94 VAL HA H 94 4.880 4.441 0.439 1 1 878 . 18 1 1 A 94 94 VAL C C 94 175.000 175.628 -0.628 1 1 879 . 18 1 1 A 94 94 VAL CA C 94 60.000 61.144 -1.144 1 1 880 . 18 1 1 A 94 94 VAL CB C 94 33.900 32.892 1.008 1 1 883 . 18 1 1 A 94 94 VAL N N 94 122.000 125.827 -3.827 1 1 884 . 18 1 1 A 95 95 GLY H H 95 9.730 9.455 0.275 1 1 885 . 18 1 1 A 95 95 GLY HA2 H 95 3.240 4.017 -0.777 1 1 886 . 18 1 1 A 95 95 GLY HA3 H 95 4.940 4.030 0.910 1 1 887 . 18 1 1 A 95 95 GLY C C 95 175.000 175.028 -0.028 1 1 888 . 18 1 1 A 95 95 GLY CA C 95 45.500 45.081 0.419 1 1 889 . 18 1 1 A 95 95 GLY N N 95 114.000 115.789 -1.789 1 1 890 . 18 1 1 A 96 96 THR H H 96 9.320 8.603 0.717 1 1 891 . 18 1 1 A 96 96 THR HA H 96 4.210 4.394 -0.184 1 1 896 . 18 1 1 A 96 96 THR C C 96 173.000 175.652 -2.652 1 1 897 . 18 1 1 A 96 96 THR CA C 96 61.800 63.414 -1.614 1 1 898 . 18 1 1 A 96 96 THR CB C 96 67.600 70.084 -2.484 1 1 900 . 18 1 1 A 96 96 THR N N 96 113.800 116.297 -2.497 1 1 901 . 18 1 1 A 97 97 GLY H H 97 8.600 7.999 0.601 1 1 902 . 18 1 1 A 97 97 GLY HA2 H 97 3.580 3.884 -0.304 1 1 903 . 18 1 1 A 97 97 GLY HA3 H 97 4.500 3.892 0.608 1 1 904 . 18 1 1 A 97 97 GLY C C 97 174.800 175.266 -0.466 1 1 905 . 18 1 1 A 97 97 GLY CA C 97 44.000 47.298 -3.298 1 1 906 . 18 1 1 A 97 97 GLY N N 97 110.900 110.817 0.083 1 1 907 . 18 1 1 A 98 98 ARG H H 98 9.400 8.460 0.940 1 1 908 . 18 1 1 A 98 98 ARG HA H 98 4.110 4.018 0.092 1 1 911 . 18 1 1 A 98 98 ARG C C 98 175.700 175.851 -0.151 1 1 912 . 18 1 1 A 98 98 ARG CA C 98 58.800 58.678 0.122 1 1 913 . 18 1 1 A 98 98 ARG CB C 98 30.700 30.926 -0.226 1 1 914 . 18 1 1 A 98 98 ARG N N 98 125.500 123.947 1.553 1 1 915 . 18 1 1 A 99 99 ARG H H 99 8.180 7.479 0.701 1 1 916 . 18 1 1 A 99 99 ARG HA H 99 4.640 4.784 -0.144 1 1 919 . 18 1 1 A 99 99 ARG C C 99 175.000 173.500 1.500 1 1 920 . 18 1 1 A 99 99 ARG CA C 99 53.100 54.848 -1.748 1 1 921 . 18 1 1 A 99 99 ARG CB C 99 33.200 32.266 0.934 1 1 922 . 18 1 1 A 99 99 ARG N N 99 114.300 113.709 0.591 1 1 923 . 18 1 1 A 100 100 GLN H H 100 8.710 8.373 0.337 1 1 924 . 18 1 1 A 100 100 GLN HA H 100 3.620 4.856 -1.236 1 1 929 . 18 1 1 A 100 100 GLN C C 100 173.900 174.713 -0.813 1 1 930 . 18 1 1 A 100 100 GLN CA C 100 56.400 56.528 -0.128 1 1 931 . 18 1 1 A 100 100 GLN CB C 100 29.600 29.560 0.040 1 1 933 . 18 1 1 A 100 100 GLN N N 100 121.700 122.538 -0.838 1 1 934 . 18 1 1 A 101 101 HIS H H 101 7.900 8.774 -0.874 1 1 935 . 18 1 1 A 101 101 HIS HA H 101 4.530 4.970 -0.440 1 1 939 . 18 1 1 A 101 101 HIS C C 101 173.100 174.128 -1.028 1 1 940 . 18 1 1 A 101 101 HIS CA C 101 55.100 54.708 0.392 1 1 941 . 18 1 1 A 101 101 HIS CB C 101 32.100 33.757 -1.657 1 1 942 . 18 1 1 A 101 101 HIS N N 101 130.600 124.391 6.209 1 1 943 . 18 1 1 A 102 102 LEU H H 102 8.080 8.658 -0.578 1 1 944 . 18 1 1 A 102 102 LEU HA H 102 4.060 4.758 -0.698 1 1 948 . 18 1 1 A 102 102 LEU C C 102 177.200 176.677 0.523 1 1 949 . 18 1 1 A 102 102 LEU CA C 102 54.900 54.190 0.710 1 1 950 . 18 1 1 A 102 102 LEU CB C 102 41.600 44.043 -2.443 1 1 951 . 18 1 1 A 102 102 LEU N N 102 121.400 124.703 -3.303 1 1 952 . 18 1 1 A 103 103 LEU H H 103 8.260 8.707 -0.447 1 1 953 . 18 1 1 A 103 103 LEU HA H 103 4.490 4.542 -0.052 1 1 963 . 18 1 1 A 103 103 LEU C C 103 177.100 177.091 0.009 1 1 964 . 18 1 1 A 103 103 LEU CA C 103 53.400 54.390 -0.990 1 1 965 . 18 1 1 A 103 103 LEU CB C 103 42.600 42.576 0.024 1 1 969 . 18 1 1 A 103 103 LEU N N 103 123.000 128.766 -5.766 1 1 970 . 18 1 1 A 104 104 GLY H H 104 8.820 8.872 -0.052 1 1 971 . 18 1 1 A 104 104 GLY HA2 H 104 3.930 4.245 -0.315 1 1 972 . 18 1 1 A 104 104 GLY HA3 H 104 4.440 4.247 0.193 1 1 973 . 18 1 1 A 104 104 GLY CA C 104 44.500 43.786 0.714 1 1 974 . 18 1 1 A 104 104 GLY N N 104 110.200 107.795 2.405 1 1 975 . 18 1 1 A 105 105 PRO HA H 105 4.230 4.310 -0.080 1 1 978 . 18 1 1 A 105 105 PRO C C 105 178.900 177.867 1.033 1 1 979 . 18 1 1 A 105 105 PRO CA C 105 65.200 65.028 0.172 1 1 980 . 18 1 1 A 105 105 PRO CB C 105 31.900 31.881 0.019 1 1 981 . 18 1 1 A 106 106 GLU H H 106 9.150 8.155 0.995 1 1 982 . 18 1 1 A 106 106 GLU HA H 106 4.080 4.129 -0.049 1 1 987 . 18 1 1 A 106 106 GLU C C 106 178.500 179.275 -0.775 1 1 988 . 18 1 1 A 106 106 GLU CA C 106 58.600 59.084 -0.484 1 1 989 . 18 1 1 A 106 106 GLU CB C 106 28.500 29.138 -0.638 1 1 991 . 18 1 1 A 106 106 GLU N N 106 115.400 117.752 -2.352 1 1 992 . 18 1 1 A 107 107 GLN H H 107 7.680 7.918 -0.238 1 1 993 . 18 1 1 A 107 107 GLN HA H 107 4.160 4.068 0.092 1 1 998 . 18 1 1 A 107 107 GLN C C 107 175.200 177.758 -2.558 1 1 999 . 18 1 1 A 107 107 GLN CA C 107 58.500 58.778 -0.278 1 1 1000 . 18 1 1 A 107 107 GLN CB C 107 29.400 28.622 0.778 1 1 1002 . 18 1 1 A 107 107 GLN N N 107 116.100 118.293 -2.193 1 1 1003 . 18 1 1 A 108 108 VAL H H 108 7.080 7.312 -0.232 1 1 1004 . 18 1 1 A 108 108 VAL HA H 108 4.270 4.249 0.021 1 1 1012 . 18 1 1 A 108 108 VAL C C 108 177.500 177.054 0.446 1 1 1013 . 18 1 1 A 108 108 VAL CA C 108 62.000 61.368 0.632 1 1 1014 . 18 1 1 A 108 108 VAL CB C 108 33.000 31.758 1.242 1 1 1017 . 18 1 1 A 108 108 VAL N N 108 104.800 114.094 -9.294 1 1 1018 . 18 1 1 A 109 109 ARG H H 109 8.220 7.888 0.332 1 1 1019 . 18 1 1 A 109 109 ARG HA H 109 4.060 4.093 -0.033 1 1 1024 . 18 1 1 A 109 109 ARG CA C 109 61.700 61.200 0.500 1 1 1025 . 18 1 1 A 109 109 ARG CB C 109 27.600 28.009 -0.409 1 1 1027 . 18 1 1 A 109 109 ARG N N 109 123.100 123.050 0.050 1 1 1028 . 18 1 1 A 110 110 PRO HA H 110 4.290 4.390 -0.100 1 1 1035 . 18 1 1 A 110 110 PRO C C 110 173.000 179.134 -6.134 1 1 1036 . 18 1 1 A 110 110 PRO CA C 110 65.800 65.402 0.398 1 1 1037 . 18 1 1 A 110 110 PRO CB C 110 31.400 30.896 0.504 1 1 1040 . 18 1 1 A 111 111 LEU H H 111 7.080 7.584 -0.504 1 1 1041 . 18 1 1 A 111 111 LEU HA H 111 4.050 4.039 0.011 1 1 1051 . 18 1 1 A 111 111 LEU C C 111 178.800 179.073 -0.273 1 1 1052 . 18 1 1 A 111 111 LEU CA C 111 57.400 57.481 -0.081 1 1 1053 . 18 1 1 A 111 111 LEU CB C 111 40.100 41.473 -1.373 1 1 1056 . 18 1 1 A 111 111 LEU N N 111 117.700 117.119 0.581 1 1 1057 . 18 1 1 A 112 112 LEU H H 112 7.950 8.203 -0.253 1 1 1058 . 18 1 1 A 112 112 LEU HA H 112 4.050 3.926 0.124 1 1 1068 . 18 1 1 A 112 112 LEU C C 112 169.000 179.346 -10.346 1 1 1069 . 18 1 1 A 112 112 LEU CA C 112 58.000 58.032 -0.032 1 1 1070 . 18 1 1 A 112 112 LEU CB C 112 41.100 41.302 -0.202 1 1 1074 . 18 1 1 A 112 112 LEU N N 112 121.700 119.611 2.089 1 1 1075 . 18 1 1 A 113 113 ALA H H 113 8.230 7.864 0.366 1 1 1076 . 18 1 1 A 113 113 ALA HA H 113 4.110 4.068 0.042 1 1 1080 . 18 1 1 A 113 113 ALA C C 113 178.700 179.269 -0.569 1 1 1081 . 18 1 1 A 113 113 ALA CA C 113 54.400 54.681 -0.281 1 1 1082 . 18 1 1 A 113 113 ALA CB C 113 18.100 18.170 -0.070 1 1 1083 . 18 1 1 A 113 113 ALA N N 113 120.900 121.916 -1.016 1 1 1084 . 18 1 1 A 114 114 MET H H 114 7.270 7.944 -0.674 1 1 1085 . 18 1 1 A 114 114 MET HA H 114 4.490 4.495 -0.005 1 1 1093 . 18 1 1 A 114 114 MET C C 114 175.100 176.425 -1.325 1 1 1094 . 18 1 1 A 114 114 MET CA C 114 55.100 55.874 -0.774 1 1 1095 . 18 1 1 A 114 114 MET CB C 114 33.700 33.014 0.686 1 1 1098 . 18 1 1 A 114 114 MET N N 114 115.100 115.440 -0.340 1 1 1099 . 18 1 1 A 115 115 GLY H H 115 7.830 7.746 0.084 1 1 1100 . 18 1 1 A 115 115 GLY HA2 H 115 3.660 4.025 -0.365 1 1 1101 . 18 1 1 A 115 115 GLY HA3 H 115 4.060 4.025 0.035 1 1 1102 . 18 1 1 A 115 115 GLY C C 115 173.700 174.346 -0.646 1 1 1103 . 18 1 1 A 115 115 GLY CA C 115 45.600 45.014 0.586 1 1 1104 . 18 1 1 A 115 115 GLY N N 115 106.300 106.261 0.039 1 1 1105 . 18 1 1 A 116 116 VAL H H 116 7.710 8.034 -0.324 1 1 1106 . 18 1 1 A 116 116 VAL HA H 116 3.820 4.138 -0.318 1 1 1114 . 18 1 1 A 116 116 VAL C C 116 174.800 175.680 -0.880 1 1 1115 . 18 1 1 A 116 116 VAL CA C 116 61.200 62.367 -1.167 1 1 1116 . 18 1 1 A 116 116 VAL CB C 116 32.800 31.716 1.084 1 1 1119 . 18 1 1 A 116 116 VAL N N 116 123.600 122.018 1.582 1 1 1120 . 18 1 1 A 117 117 GLY H H 117 7.730 9.026 -1.296 1 1 1121 . 18 1 1 A 117 117 GLY HA2 H 117 3.570 3.926 -0.356 1 1 1122 . 18 1 1 A 117 117 GLY HA3 H 117 4.040 3.928 0.112 1 1 1123 . 18 1 1 A 117 117 GLY C C 117 172.600 172.949 -0.349 1 1 1124 . 18 1 1 A 117 117 GLY CA C 117 45.500 46.568 -1.068 1 1 1125 . 18 1 1 A 117 117 GLY N N 117 111.400 114.726 -3.326 1 1 1126 . 18 1 1 A 118 118 VAL H H 118 7.740 8.216 -0.476 1 1 1127 . 18 1 1 A 118 118 VAL HA H 118 5.100 4.500 0.600 1 1 1135 . 18 1 1 A 118 118 VAL C C 118 175.500 175.530 -0.030 1 1 1136 . 18 1 1 A 118 118 VAL CA C 118 61.000 62.679 -1.679 1 1 1137 . 18 1 1 A 118 118 VAL CB C 118 34.300 31.808 2.492 1 1 1140 . 18 1 1 A 118 118 VAL N N 118 120.900 126.785 -5.885 1 1 1141 . 18 1 1 A 119 119 GLU H H 119 8.490 9.561 -1.071 1 1 1142 . 18 1 1 A 119 119 GLU HA H 119 4.630 5.087 -0.457 1 1 1147 . 18 1 1 A 119 119 GLU C C 119 173.500 174.523 -1.023 1 1 1148 . 18 1 1 A 119 119 GLU CA C 119 54.600 54.749 -0.149 1 1 1149 . 18 1 1 A 119 119 GLU CB C 119 32.300 33.776 -1.476 1 1 1151 . 18 1 1 A 119 119 GLU N N 119 127.000 126.569 0.431 1 1 1152 . 18 1 1 A 120 120 ALA H H 120 8.600 8.843 -0.243 1 1 1153 . 18 1 1 A 120 120 ALA HA H 120 5.530 5.653 -0.123 1 1 1157 . 18 1 1 A 120 120 ALA C C 120 177.100 176.301 0.799 1 1 1158 . 18 1 1 A 120 120 ALA CA C 120 50.300 50.095 0.205 1 1 1159 . 18 1 1 A 120 120 ALA CB C 120 20.800 21.576 -0.776 1 1 1160 . 18 1 1 A 120 120 ALA N N 120 126.500 123.591 2.909 1 1 1161 . 18 1 1 A 121 121 MET H H 121 9.430 9.046 0.384 1 1 1162 . 18 1 1 A 121 121 MET HA H 121 4.630 4.885 -0.255 1 1 1170 . 18 1 1 A 121 121 MET C C 121 173.300 174.522 -1.222 1 1 1171 . 18 1 1 A 121 121 MET CA C 121 54.600 54.324 0.276 1 1 1172 . 18 1 1 A 121 121 MET CB C 121 36.800 37.392 -0.592 1 1 1175 . 18 1 1 A 121 121 MET N N 121 120.400 120.310 0.090 1 1 1176 . 18 1 1 A 122 122 ASP H H 122 8.460 8.788 -0.328 1 1 1177 . 18 1 1 A 122 122 ASP HA H 122 4.170 4.746 -0.576 1 1 1180 . 18 1 1 A 122 122 ASP C C 122 175.200 177.957 -2.757 1 1 1181 . 18 1 1 A 122 122 ASP CA C 122 55.000 53.894 1.106 1 1 1182 . 18 1 1 A 122 122 ASP CB C 122 41.000 41.549 -0.549 1 1 1183 . 18 1 1 A 122 122 ASP N N 122 116.700 120.075 -3.375 1 1 1184 . 18 1 1 A 123 123 THR H H 123 9.580 8.749 0.831 1 1 1185 . 18 1 1 A 123 123 THR HA H 123 3.670 3.845 -0.175 1 1 1191 . 18 1 1 A 123 123 THR C C 123 174.400 176.101 -1.701 1 1 1192 . 18 1 1 A 123 123 THR CA C 123 68.700 66.137 2.563 1 1 1193 . 18 1 1 A 123 123 THR CB C 123 68.800 68.680 0.120 1 1 1195 . 18 1 1 A 123 123 THR N N 123 119.600 117.037 2.563 1 1 1196 . 18 1 1 A 124 124 GLN H H 124 8.580 8.061 0.519 1 1 1197 . 18 1 1 A 124 124 GLN HA H 124 3.240 3.685 -0.445 1 1 1202 . 18 1 1 A 124 124 GLN C C 124 177.700 177.851 -0.151 1 1 1203 . 18 1 1 A 124 124 GLN CA C 124 60.100 58.282 1.818 1 1 1204 . 18 1 1 A 124 124 GLN CB C 124 27.400 28.596 -1.196 1 1 1206 . 18 1 1 A 124 124 GLN N N 124 121.500 120.473 1.027 1 1 1207 . 18 1 1 A 125 125 ALA H H 125 8.210 7.935 0.275 1 1 1208 . 18 1 1 A 125 125 ALA HA H 125 3.960 4.100 -0.140 1 1 1212 . 18 1 1 A 125 125 ALA C C 125 167.800 180.032 -12.232 1 1 1213 . 18 1 1 A 125 125 ALA CA C 125 54.800 54.791 0.009 1 1 1214 . 18 1 1 A 125 125 ALA CB C 125 18.700 18.137 0.563 1 1 1215 . 18 1 1 A 125 125 ALA N N 125 122.600 121.261 1.339 1 1 1216 . 18 1 1 A 126 126 ALA H H 126 8.900 8.428 0.472 1 1 1217 . 18 1 1 A 126 126 ALA HA H 126 4.110 4.006 0.104 1 1 1221 . 18 1 1 A 126 126 ALA C C 126 178.500 179.246 -0.746 1 1 1222 . 18 1 1 A 126 126 ALA CA C 126 55.300 55.021 0.279 1 1 1223 . 18 1 1 A 126 126 ALA CB C 126 18.100 18.217 -0.117 1 1 1224 . 18 1 1 A 126 126 ALA N N 126 124.600 120.202 4.398 1 1 1225 . 18 1 1 A 127 127 ALA H H 127 8.440 8.229 0.211 1 1 1226 . 18 1 1 A 127 127 ALA HA H 127 3.850 4.051 -0.201 1 1 1230 . 18 1 1 A 127 127 ALA C C 127 178.400 180.362 -1.962 1 1 1231 . 18 1 1 A 127 127 ALA CA C 127 55.500 55.265 0.235 1 1 1232 . 18 1 1 A 127 127 ALA CB C 127 18.500 18.207 0.293 1 1 1233 . 18 1 1 A 127 127 ALA N N 127 120.200 120.152 0.048 1 1 1234 . 18 1 1 A 128 128 ARG H H 128 7.790 7.832 -0.042 1 1 1235 . 18 1 1 A 128 128 ARG HA H 128 4.020 4.036 -0.016 1 1 1240 . 18 1 1 A 128 128 ARG C C 128 179.400 178.768 0.632 1 1 1241 . 18 1 1 A 128 128 ARG CA C 128 59.600 59.623 -0.023 1 1 1242 . 18 1 1 A 128 128 ARG CB C 128 30.800 29.767 1.033 1 1 1244 . 18 1 1 A 128 128 ARG N N 128 115.900 117.663 -1.763 1 1 1245 . 18 1 1 A 129 129 THR H H 129 8.440 8.338 0.102 1 1 1246 . 18 1 1 A 129 129 THR HA H 129 3.770 3.947 -0.177 1 1 1251 . 18 1 1 A 129 129 THR C C 129 175.300 176.046 -0.746 1 1 1252 . 18 1 1 A 129 129 THR CA C 129 67.300 66.274 1.026 1 1 1253 . 18 1 1 A 129 129 THR CB C 129 68.300 68.311 -0.011 1 1 1255 . 18 1 1 A 129 129 THR N N 129 116.400 117.745 -1.345 1 1 1256 . 18 1 1 A 130 130 TYR H H 130 8.790 8.302 0.488 1 1 1257 . 18 1 1 A 130 130 TYR HA H 130 3.600 4.079 -0.479 1 1 1262 . 18 1 1 A 130 130 TYR C C 130 175.500 177.492 -1.992 1 1 1263 . 18 1 1 A 130 130 TYR CA C 130 62.600 62.147 0.453 1 1 1264 . 18 1 1 A 130 130 TYR CB C 130 37.500 38.586 -1.086 1 1 1265 . 18 1 1 A 130 130 TYR N N 130 123.500 122.681 0.819 1 1 1266 . 18 1 1 A 131 131 ASN H H 131 7.800 8.042 -0.242 1 1 1267 . 18 1 1 A 131 131 ASN HA H 131 4.220 4.298 -0.078 1 1 1270 . 18 1 1 A 131 131 ASN C C 131 179.200 178.283 0.917 1 1 1271 . 18 1 1 A 131 131 ASN CA C 131 55.500 56.231 -0.731 1 1 1272 . 18 1 1 A 131 131 ASN CB C 131 37.100 37.917 -0.817 1 1 1273 . 18 1 1 A 131 131 ASN N N 131 117.700 117.954 -0.254 1 1 1274 . 18 1 1 A 132 132 ILE H H 132 7.520 7.704 -0.184 1 1 1275 . 18 1 1 A 132 132 ILE HA H 132 3.710 3.581 0.129 1 1 1285 . 18 1 1 A 132 132 ILE C C 132 178.100 178.088 0.012 1 1 1286 . 18 1 1 A 132 132 ILE CA C 132 64.900 65.710 -0.810 1 1 1287 . 18 1 1 A 132 132 ILE CB C 132 38.500 38.287 0.213 1 1 1291 . 18 1 1 A 132 132 ILE N N 132 121.000 120.011 0.989 1 1 1292 . 18 1 1 A 133 133 LEU H H 133 8.420 8.511 -0.091 1 1 1293 . 18 1 1 A 133 133 LEU HA H 133 3.910 4.019 -0.109 1 1 1303 . 18 1 1 A 133 133 LEU C C 133 179.600 179.462 0.138 1 1 1304 . 18 1 1 A 133 133 LEU CA C 133 57.900 57.422 0.478 1 1 1305 . 18 1 1 A 133 133 LEU CB C 133 41.700 41.217 0.483 1 1 1309 . 18 1 1 A 133 133 LEU N N 133 120.500 118.208 2.292 1 1 1310 . 18 1 1 A 134 134 MET H H 134 8.990 8.102 0.888 1 1 1311 . 18 1 1 A 134 134 MET HA H 134 3.870 4.078 -0.208 1 1 1319 . 18 1 1 A 134 134 MET C C 134 167.400 177.881 -10.481 1 1 1320 . 18 1 1 A 134 134 MET CA C 134 58.400 58.269 0.131 1 1 1321 . 18 1 1 A 134 134 MET CB C 134 30.700 32.079 -1.379 1 1 1324 . 18 1 1 A 134 134 MET N N 134 119.900 118.702 1.198 1 1 1325 . 18 1 1 A 135 135 ALA H H 135 7.490 7.878 -0.388 1 1 1326 . 18 1 1 A 135 135 ALA HA H 135 4.060 3.990 0.070 1 1 1330 . 18 1 1 A 135 135 ALA C C 135 179.100 179.268 -0.168 1 1 1331 . 18 1 1 A 135 135 ALA CA C 135 54.700 54.811 -0.111 1 1 1332 . 18 1 1 A 135 135 ALA CB C 135 18.000 18.305 -0.305 1 1 1333 . 18 1 1 A 135 135 ALA N N 135 124.600 121.516 3.084 1 1 1334 . 18 1 1 A 136 136 GLU H H 136 7.540 7.553 -0.013 1 1 1335 . 18 1 1 A 136 136 GLU HA H 136 4.230 4.263 -0.033 1 1 1340 . 18 1 1 A 136 136 GLU C C 136 176.900 177.186 -0.286 1 1 1341 . 18 1 1 A 136 136 GLU CA C 136 56.400 56.423 -0.023 1 1 1342 . 18 1 1 A 136 136 GLU CB C 136 30.300 29.892 0.408 1 1 1344 . 18 1 1 A 136 136 GLU N N 136 116.500 115.872 0.628 1 1 1345 . 18 1 1 A 137 137 GLY H H 137 7.870 8.186 -0.316 1 1 1346 . 18 1 1 A 137 137 GLY HA2 H 137 3.760 3.917 -0.157 1 1 1347 . 18 1 1 A 137 137 GLY HA3 H 137 4.140 3.927 0.213 1 1 1348 . 18 1 1 A 137 137 GLY C C 137 175.100 174.229 0.871 1 1 1349 . 18 1 1 A 137 137 GLY CA C 137 45.600 46.328 -0.728 1 1 1350 . 18 1 1 A 137 137 GLY N N 137 107.100 109.800 -2.700 1 1 1351 . 18 1 1 A 138 138 ARG H H 138 7.580 7.354 0.226 1 1 1352 . 18 1 1 A 138 138 ARG HA H 138 4.270 4.706 -0.436 1 1 1357 . 18 1 1 A 138 138 ARG C C 138 176.900 174.872 2.028 1 1 1358 . 18 1 1 A 138 138 ARG CA C 138 54.500 54.172 0.328 1 1 1359 . 18 1 1 A 138 138 ARG CB C 138 30.100 33.238 -3.138 1 1 1361 . 18 1 1 A 138 138 ARG N N 138 118.100 120.328 -2.228 1 1 1362 . 18 1 1 A 139 139 ARG H H 139 9.240 8.454 0.786 1 1 1363 . 18 1 1 A 139 139 ARG HA H 139 4.470 4.475 -0.005 1 1 1370 . 18 1 1 A 139 139 ARG C C 139 174.400 175.053 -0.653 1 1 1371 . 18 1 1 A 139 139 ARG CA C 139 55.700 55.901 -0.201 1 1 1372 . 18 1 1 A 139 139 ARG CB C 139 28.000 29.264 -1.264 1 1 1375 . 18 1 1 A 139 139 ARG N N 139 124.400 124.935 -0.535 1 1 1376 . 18 1 1 A 140 140 VAL H H 140 7.250 8.530 -1.280 1 1 1377 . 18 1 1 A 140 140 VAL HA H 140 5.180 4.961 0.219 1 1 1385 . 18 1 1 A 140 140 VAL C C 140 172.800 174.067 -1.267 1 1 1386 . 18 1 1 A 140 140 VAL CA C 140 57.700 60.326 -2.626 1 1 1387 . 18 1 1 A 140 140 VAL CB C 140 34.700 34.122 0.578 1 1 1390 . 18 1 1 A 140 140 VAL N N 140 121.900 124.664 -2.764 1 1 1391 . 18 1 1 A 141 141 VAL H H 141 8.180 8.818 -0.638 1 1 1392 . 18 1 1 A 141 141 VAL HA H 141 4.510 4.892 -0.382 1 1 1400 . 18 1 1 A 141 141 VAL C C 141 172.600 174.171 -1.571 1 1 1401 . 18 1 1 A 141 141 VAL CA C 141 60.300 60.818 -0.518 1 1 1402 . 18 1 1 A 141 141 VAL CB C 141 35.600 34.008 1.592 1 1 1405 . 18 1 1 A 141 141 VAL N N 141 123.900 128.691 -4.791 1 1 1406 . 18 1 1 A 142 142 VAL H H 142 8.430 8.565 -0.135 1 1 1407 . 18 1 1 A 142 142 VAL HA H 142 5.220 4.911 0.309 1 1 1415 . 18 1 1 A 142 142 VAL C C 142 170.000 172.860 -2.860 1 1 1416 . 18 1 1 A 142 142 VAL CA C 142 57.600 59.166 -1.566 1 1 1417 . 18 1 1 A 142 142 VAL CB C 142 35.500 33.991 1.509 1 1 1420 . 18 1 1 A 142 142 VAL N N 142 124.600 128.190 -3.590 1 1 1421 . 18 1 1 A 143 143 ALA H H 143 8.220 9.029 -0.809 1 1 1422 . 18 1 1 A 143 143 ALA HA H 143 4.680 4.924 -0.244 1 1 1426 . 18 1 1 A 143 143 ALA C C 143 175.400 175.204 0.196 1 1 1427 . 18 1 1 A 143 143 ALA CA C 143 49.900 50.002 -0.102 1 1 1428 . 18 1 1 A 143 143 ALA CB C 143 19.600 19.851 -0.251 1 1 1429 . 18 1 1 A 143 143 ALA N N 143 129.100 130.147 -1.047 1 1 1430 . 18 1 1 A 144 144 LEU H H 144 9.070 9.067 0.003 1 1 1431 . 18 1 1 A 144 144 LEU HA H 144 4.840 5.054 -0.214 1 1 1441 . 18 1 1 A 144 144 LEU CA C 144 53.400 53.357 0.043 1 1 1442 . 18 1 1 A 144 144 LEU CB C 144 46.500 43.456 3.044 1 1 1445 . 18 1 1 A 144 144 LEU N N 144 119.600 123.769 -4.169 1 1 1446 . 18 1 1 A 145 145 LEU HA H 145 4.830 5.026 -0.196 1 1 1456 . 18 1 1 A 145 145 LEU CA C 145 51.800 51.377 0.423 1 1 1457 . 18 1 1 A 145 145 LEU CB C 145 41.700 43.768 -2.068 1 1 1461 . 18 1 1 A 146 146 PRO HA H 146 4.330 5.056 -0.726 1 1 1466 . 18 1 1 A 146 146 PRO C C 146 175.700 176.803 -1.103 1 1 1467 . 18 1 1 A 146 146 PRO CA C 146 62.800 62.319 0.481 1 1 1468 . 18 1 1 A 146 146 PRO CB C 146 31.500 32.452 -0.952 1 1 1470 . 18 1 1 A 147 147 ASP H H 147 8.660 8.761 -0.101 1 1 1471 . 18 1 1 A 147 147 ASP HA H 147 4.510 4.347 0.163 1 1 1474 . 18 1 1 A 147 147 ASP C C 147 176.300 175.949 0.351 1 1 1475 . 18 1 1 A 147 147 ASP CA C 147 54.300 55.248 -0.948 1 1 1476 . 18 1 1 A 147 147 ASP CB C 147 42.100 40.447 1.653 1 1 1477 . 18 1 1 A 147 147 ASP N N 147 120.700 120.387 0.313 1 1 1478 . 18 1 1 A 148 148 GLY H H 148 8.310 8.155 0.155 1 1 1479 . 18 1 1 A 148 148 GLY HA2 H 148 4.020 4.031 -0.011 1 1 1480 . 18 1 1 A 148 148 GLY HA3 H 148 4.050 4.043 0.007 1 1 1481 . 18 1 1 A 148 148 GLY C C 148 173.600 175.177 -1.577 1 1 1482 . 18 1 1 A 148 148 GLY CA C 148 45.200 45.568 -0.368 1 1 1483 . 18 1 1 A 148 148 GLY N N 148 109.400 104.829 4.571 1 1 1484 . 18 1 1 A 149 149 ASP H H 149 8.550 8.428 0.122 1 1 1485 . 18 1 1 A 149 149 ASP HA H 149 4.650 4.274 0.376 1 1 1488 . 18 1 1 A 149 149 ASP C C 149 176.700 178.136 -1.436 1 1 1489 . 18 1 1 A 149 149 ASP CA C 149 54.500 56.641 -2.141 1 1 1490 . 18 1 1 A 149 149 ASP CB C 149 41.600 40.051 1.549 1 1 1491 . 18 1 1 A 149 149 ASP N N 149 120.800 121.340 -0.540 1 1 1492 . 18 1 1 A 150 150 SER H H 150 8.600 8.083 0.517 1 1 1493 . 18 1 1 A 150 150 SER HA H 150 4.350 4.469 -0.119 1 1 1496 . 18 1 1 A 150 150 SER C C 150 175.000 174.872 0.128 1 1 1497 . 18 1 1 A 150 150 SER CA C 150 58.900 58.983 -0.083 1 1 1498 . 18 1 1 A 150 150 SER CB C 150 63.500 62.862 0.638 1 1 1499 . 18 1 1 A 150 150 SER N N 150 116.400 115.333 1.067 1 1 1500 . 18 1 1 A 151 151 LEU H H 151 8.290 7.498 0.792 1 1 1501 . 18 1 1 A 151 151 LEU CA C 151 55.500 56.725 -1.225 1 1 1502 . 18 1 1 A 151 151 LEU CB C 151 41.900 42.297 -0.397 1 1 5 . 19 1 1 A 4 4 HIS C C 4 174.800 174.489 0.311 1 1 6 . 19 1 1 A 4 4 HIS CA C 4 55.900 54.720 1.180 1 1 7 . 19 1 1 A 4 4 HIS CB C 4 30.000 28.926 1.074 1 1 8 . 19 1 1 A 5 5 THR H H 5 7.990 8.619 -0.629 1 1 9 . 19 1 1 A 5 5 THR C C 5 173.800 174.079 -0.279 1 1 10 . 19 1 1 A 5 5 THR CA C 5 61.500 63.642 -2.142 1 1 11 . 19 1 1 A 5 5 THR CB C 5 69.900 68.630 1.270 1 1 12 . 19 1 1 A 5 5 THR N N 5 115.300 120.092 -4.792 1 1 13 . 19 1 1 A 6 6 ASP H H 6 8.370 8.595 -0.225 1 1 14 . 19 1 1 A 6 6 ASP HA H 6 4.860 4.836 0.024 1 1 17 . 19 1 1 A 6 6 ASP CA C 6 52.500 52.366 0.134 1 1 18 . 19 1 1 A 6 6 ASP CB C 6 41.100 40.525 0.575 1 1 19 . 19 1 1 A 6 6 ASP N N 6 124.400 127.647 -3.247 1 1 20 . 19 1 1 A 7 7 PRO HA H 7 4.350 4.640 -0.290 1 1 26 . 19 1 1 A 7 7 PRO C C 7 176.900 176.689 0.211 1 1 27 . 19 1 1 A 7 7 PRO CA C 7 63.500 62.893 0.607 1 1 28 . 19 1 1 A 7 7 PRO CB C 7 32.100 29.981 2.119 1 1 31 . 19 1 1 A 8 8 ALA H H 8 8.420 8.215 0.205 1 1 32 . 19 1 1 A 8 8 ALA HA H 8 4.260 3.939 0.321 1 1 36 . 19 1 1 A 8 8 ALA C C 8 178.100 177.157 0.943 1 1 37 . 19 1 1 A 8 8 ALA CA C 8 52.900 54.269 -1.369 1 1 38 . 19 1 1 A 8 8 ALA CB C 8 19.200 17.913 1.287 1 1 39 . 19 1 1 A 8 8 ALA N N 8 122.700 119.331 3.369 1 1 40 . 19 1 1 A 9 9 THR H H 9 7.880 8.706 -0.826 1 1 41 . 19 1 1 A 9 9 THR HA H 9 4.230 4.041 0.189 1 1 46 . 19 1 1 A 9 9 THR C C 9 173.800 175.612 -1.812 1 1 47 . 19 1 1 A 9 9 THR CA C 9 61.700 65.231 -3.531 1 1 48 . 19 1 1 A 9 9 THR CB C 9 69.700 69.005 0.695 1 1 50 . 19 1 1 A 9 9 THR N N 9 112.900 111.434 1.466 1 1 51 . 19 1 1 A 10 10 ALA H H 10 8.160 7.789 0.371 1 1 52 . 19 1 1 A 10 10 ALA HA H 10 4.340 3.896 0.444 1 1 56 . 19 1 1 A 10 10 ALA C C 10 177.000 176.550 0.450 1 1 57 . 19 1 1 A 10 10 ALA CA C 10 52.300 54.906 -2.606 1 1 58 . 19 1 1 A 10 10 ALA CB C 10 19.400 17.801 1.599 1 1 59 . 19 1 1 A 10 10 ALA N N 10 127.000 121.087 5.913 1 1 60 . 19 1 1 A 11 11 LEU H H 11 8.040 8.449 -0.409 1 1 61 . 19 1 1 A 11 11 LEU HA H 11 4.640 4.491 0.149 1 1 70 . 19 1 1 A 11 11 LEU C C 11 178.300 175.773 2.527 1 1 71 . 19 1 1 A 11 11 LEU CA C 11 54.000 53.873 0.127 1 1 72 . 19 1 1 A 11 11 LEU CB C 11 42.900 42.348 0.552 1 1 75 . 19 1 1 A 11 11 LEU N N 11 121.500 118.713 2.787 1 1 76 . 19 1 1 A 12 12 ASN H H 12 9.700 8.992 0.708 1 1 77 . 19 1 1 A 12 12 ASN HA H 12 4.760 4.971 -0.211 1 1 80 . 19 1 1 A 12 12 ASN C C 12 174.700 174.128 0.572 1 1 81 . 19 1 1 A 12 12 ASN CA C 12 54.100 53.128 0.972 1 1 82 . 19 1 1 A 12 12 ASN CB C 12 38.100 38.947 -0.847 1 1 83 . 19 1 1 A 12 12 ASN N N 12 121.500 124.531 -3.031 1 1 84 . 19 1 1 A 13 13 THR H H 13 8.710 8.962 -0.252 1 1 85 . 19 1 1 A 13 13 THR HA H 13 4.760 4.967 -0.207 1 1 90 . 19 1 1 A 13 13 THR C C 13 173.600 174.114 -0.514 1 1 91 . 19 1 1 A 13 13 THR CA C 13 61.900 61.844 0.056 1 1 92 . 19 1 1 A 13 13 THR CB C 13 71.500 70.845 0.655 1 1 94 . 19 1 1 A 13 13 THR N N 13 121.800 121.550 0.250 1 1 95 . 19 1 1 A 14 14 VAL H H 14 9.500 9.175 0.325 1 1 96 . 19 1 1 A 14 14 VAL HA H 14 4.660 4.041 0.619 1 1 104 . 19 1 1 A 14 14 VAL C C 14 177.000 177.171 -0.171 1 1 105 . 19 1 1 A 14 14 VAL CA C 14 63.800 63.655 0.145 1 1 106 . 19 1 1 A 14 14 VAL CB C 14 30.600 31.412 -0.812 1 1 109 . 19 1 1 A 14 14 VAL N N 14 126.700 127.715 -1.015 1 1 110 . 19 1 1 A 15 15 THR H H 15 8.900 9.263 -0.363 1 1 111 . 19 1 1 A 15 15 THR HA H 15 4.300 4.542 -0.242 1 1 116 . 19 1 1 A 15 15 THR C C 15 174.900 174.883 0.017 1 1 117 . 19 1 1 A 15 15 THR CA C 15 62.800 62.520 0.280 1 1 118 . 19 1 1 A 15 15 THR CB C 15 68.700 69.420 -0.720 1 1 120 . 19 1 1 A 15 15 THR N N 15 122.000 119.369 2.631 1 1 121 . 19 1 1 A 16 16 ALA H H 16 7.960 7.227 0.733 1 1 122 . 19 1 1 A 16 16 ALA HA H 16 4.360 4.715 -0.355 1 1 126 . 19 1 1 A 16 16 ALA C C 16 174.400 175.597 -1.197 1 1 127 . 19 1 1 A 16 16 ALA CA C 16 52.600 51.443 1.157 1 1 128 . 19 1 1 A 16 16 ALA CB C 16 21.900 20.283 1.617 1 1 129 . 19 1 1 A 16 16 ALA N N 16 120.900 122.750 -1.850 1 1 130 . 19 1 1 A 17 17 TYR H H 17 7.790 9.005 -1.215 1 1 131 . 19 1 1 A 17 17 TYR HA H 17 4.390 4.970 -0.580 1 1 136 . 19 1 1 A 17 17 TYR C C 17 173.000 176.004 -3.004 1 1 137 . 19 1 1 A 17 17 TYR CA C 17 56.400 56.972 -0.572 1 1 138 . 19 1 1 A 17 17 TYR CB C 17 39.700 41.461 -1.761 1 1 141 . 19 1 1 A 17 17 TYR N N 17 114.800 125.313 -10.513 1 1 142 . 19 1 1 A 18 18 GLY H H 18 7.030 8.317 -1.287 1 1 143 . 19 1 1 A 18 18 GLY HA2 H 18 3.210 3.608 -0.398 1 1 144 . 19 1 1 A 18 18 GLY HA3 H 18 3.900 3.783 0.117 1 1 145 . 19 1 1 A 18 18 GLY C C 18 172.200 174.839 -2.639 1 1 146 . 19 1 1 A 18 18 GLY CA C 18 44.900 44.898 0.002 1 1 147 . 19 1 1 A 18 18 GLY N N 18 108.600 115.437 -6.837 1 1 148 . 19 1 1 A 19 19 ASP H H 19 8.410 7.957 0.453 1 1 149 . 19 1 1 A 19 19 ASP HA H 19 4.320 4.616 -0.296 1 1 152 . 19 1 1 A 19 19 ASP C C 19 176.500 176.163 0.337 1 1 153 . 19 1 1 A 19 19 ASP CA C 19 55.600 53.398 2.202 1 1 154 . 19 1 1 A 19 19 ASP CB C 19 39.500 40.881 -1.381 1 1 155 . 19 1 1 A 19 19 ASP N N 19 120.400 120.014 0.386 1 1 156 . 19 1 1 A 20 20 GLY H H 20 8.670 8.319 0.351 1 1 157 . 19 1 1 A 20 20 GLY HA2 H 20 3.670 3.965 -0.295 1 1 158 . 19 1 1 A 20 20 GLY HA3 H 20 4.210 4.022 0.188 1 1 159 . 19 1 1 A 20 20 GLY C C 20 173.900 173.524 0.376 1 1 160 . 19 1 1 A 20 20 GLY CA C 20 45.800 45.228 0.572 1 1 161 . 19 1 1 A 20 20 GLY N N 20 113.500 107.320 6.180 1 1 162 . 19 1 1 A 21 21 TYR H H 21 7.530 7.588 -0.058 1 1 163 . 19 1 1 A 21 21 TYR HA H 21 5.480 5.173 0.307 1 1 168 . 19 1 1 A 21 21 TYR C C 21 172.800 174.188 -1.388 1 1 169 . 19 1 1 A 21 21 TYR CA C 21 56.700 55.667 1.033 1 1 170 . 19 1 1 A 21 21 TYR CB C 21 41.400 41.798 -0.398 1 1 173 . 19 1 1 A 21 21 TYR N N 21 114.300 117.493 -3.193 1 1 174 . 19 1 1 A 22 22 ILE H H 22 8.780 9.021 -0.241 1 1 175 . 19 1 1 A 22 22 ILE HA H 22 4.350 5.048 -0.698 1 1 185 . 19 1 1 A 22 22 ILE C C 22 173.800 174.622 -0.822 1 1 186 . 19 1 1 A 22 22 ILE CA C 22 60.200 60.713 -0.513 1 1 187 . 19 1 1 A 22 22 ILE CB C 22 41.700 40.358 1.342 1 1 191 . 19 1 1 A 22 22 ILE N N 22 119.300 119.723 -0.423 1 1 192 . 19 1 1 A 23 23 GLU H H 23 9.010 9.318 -0.308 1 1 193 . 19 1 1 A 23 23 GLU HA H 23 5.680 4.969 0.711 1 1 198 . 19 1 1 A 23 23 GLU C C 23 175.000 175.427 -0.427 1 1 199 . 19 1 1 A 23 23 GLU CA C 23 54.300 55.848 -1.548 1 1 200 . 19 1 1 A 23 23 GLU CB C 23 33.500 30.747 2.753 1 1 202 . 19 1 1 A 23 23 GLU N N 23 127.800 128.614 -0.814 1 1 203 . 19 1 1 A 24 24 VAL H H 24 8.980 9.327 -0.347 1 1 204 . 19 1 1 A 24 24 VAL HA H 24 4.840 4.403 0.437 1 1 212 . 19 1 1 A 24 24 VAL C C 24 177.300 175.902 1.398 1 1 213 . 19 1 1 A 24 24 VAL CA C 24 60.600 61.051 -0.451 1 1 214 . 19 1 1 A 24 24 VAL CB C 24 33.600 32.089 1.511 1 1 217 . 19 1 1 A 24 24 VAL N N 24 125.400 128.396 -2.996 1 1 218 . 19 1 1 A 25 25 ASN H H 25 9.340 8.529 0.811 1 1 219 . 19 1 1 A 25 25 ASN HA H 25 4.340 4.321 0.019 1 1 222 . 19 1 1 A 25 25 ASN C C 25 173.800 175.053 -1.253 1 1 223 . 19 1 1 A 25 25 ASN CA C 25 54.600 55.543 -0.943 1 1 224 . 19 1 1 A 25 25 ASN CB C 25 36.600 37.189 -0.589 1 1 225 . 19 1 1 A 25 25 ASN N N 25 127.800 123.045 4.755 1 1 226 . 19 1 1 A 26 26 GLN H H 26 7.920 8.450 -0.530 1 1 227 . 19 1 1 A 26 26 GLN HA H 26 3.670 4.519 -0.849 1 1 232 . 19 1 1 A 26 26 GLN C C 26 174.400 174.038 0.362 1 1 233 . 19 1 1 A 26 26 GLN CA C 26 58.100 55.380 2.720 1 1 234 . 19 1 1 A 26 26 GLN CB C 26 26.500 30.459 -3.959 1 1 236 . 19 1 1 A 26 26 GLN N N 26 104.100 118.485 -14.385 1 1 237 . 19 1 1 A 27 27 VAL H H 27 7.850 7.576 0.274 1 1 238 . 19 1 1 A 27 27 VAL HA H 27 3.900 4.501 -0.601 1 1 246 . 19 1 1 A 27 27 VAL C C 27 174.200 174.917 -0.717 1 1 247 . 19 1 1 A 27 27 VAL CA C 27 62.100 60.898 1.202 1 1 248 . 19 1 1 A 27 27 VAL CB C 27 32.500 34.521 -2.021 1 1 251 . 19 1 1 A 27 27 VAL N N 27 123.100 119.854 3.246 1 1 252 . 19 1 1 A 28 28 ARG H H 28 8.430 8.615 -0.185 1 1 253 . 19 1 1 A 28 28 ARG HA H 28 4.320 4.791 -0.471 1 1 256 . 19 1 1 A 28 28 ARG C C 28 175.200 174.948 0.252 1 1 257 . 19 1 1 A 28 28 ARG CA C 28 57.100 55.338 1.762 1 1 258 . 19 1 1 A 28 28 ARG CB C 28 31.300 30.838 0.462 1 1 259 . 19 1 1 A 28 28 ARG N N 28 126.200 127.262 -1.062 1 1 260 . 19 1 1 A 29 29 PHE H H 29 9.290 9.330 -0.040 1 1 261 . 19 1 1 A 29 29 PHE HA H 29 4.580 4.891 -0.311 1 1 266 . 19 1 1 A 29 29 PHE C C 29 175.800 176.057 -0.257 1 1 267 . 19 1 1 A 29 29 PHE CA C 29 57.700 57.336 0.364 1 1 268 . 19 1 1 A 29 29 PHE CB C 29 42.000 41.269 0.731 1 1 271 . 19 1 1 A 29 29 PHE N N 29 123.900 124.522 -0.622 1 1 272 . 19 1 1 A 30 30 SER H H 30 8.950 8.910 0.040 1 1 273 . 19 1 1 A 30 30 SER HA H 30 5.130 4.600 0.530 1 1 276 . 19 1 1 A 30 30 SER C C 30 172.900 174.976 -2.076 1 1 277 . 19 1 1 A 30 30 SER CA C 30 57.000 59.845 -2.845 1 1 278 . 19 1 1 A 30 30 SER CB C 30 63.200 63.218 -0.018 1 1 279 . 19 1 1 A 30 30 SER N N 30 119.400 116.180 3.220 1 1 280 . 19 1 1 A 31 31 HIS H H 31 7.170 7.944 -0.774 1 1 281 . 19 1 1 A 31 31 HIS HA H 31 4.840 5.007 -0.167 1 1 284 . 19 1 1 A 31 31 HIS C C 31 171.900 174.391 -2.491 1 1 285 . 19 1 1 A 31 31 HIS CA C 31 53.200 53.498 -0.298 1 1 286 . 19 1 1 A 31 31 HIS CB C 31 31.100 32.827 -1.727 1 1 287 . 19 1 1 A 31 31 HIS N N 31 114.600 116.698 -2.098 1 1 288 . 19 1 1 A 32 32 ALA H H 32 8.930 8.738 0.192 1 1 289 . 19 1 1 A 32 32 ALA HA H 32 5.050 4.947 0.103 1 1 293 . 19 1 1 A 32 32 ALA C C 32 179.000 177.295 1.705 1 1 294 . 19 1 1 A 32 32 ALA CA C 32 53.700 53.001 0.699 1 1 295 . 19 1 1 A 32 32 ALA CB C 32 20.700 18.962 1.738 1 1 296 . 19 1 1 A 32 32 ALA N N 32 120.200 120.940 -0.740 1 1 297 . 19 1 1 A 33 33 ILE H H 33 8.280 8.672 -0.392 1 1 298 . 19 1 1 A 33 33 ILE HA H 33 5.520 4.934 0.586 1 1 308 . 19 1 1 A 33 33 ILE C C 33 173.400 174.282 -0.882 1 1 309 . 19 1 1 A 33 33 ILE CA C 33 59.500 59.079 0.421 1 1 310 . 19 1 1 A 33 33 ILE CB C 33 44.500 42.187 2.313 1 1 313 . 19 1 1 A 33 33 ILE N N 33 115.800 118.317 -2.517 1 1 314 . 19 1 1 A 34 34 ALA H H 34 8.900 9.137 -0.237 1 1 315 . 19 1 1 A 34 34 ALA HA H 34 5.290 5.397 -0.107 1 1 319 . 19 1 1 A 34 34 ALA C C 34 176.100 175.728 0.372 1 1 320 . 19 1 1 A 34 34 ALA CA C 34 51.100 50.596 0.504 1 1 321 . 19 1 1 A 34 34 ALA CB C 34 21.900 22.415 -0.515 1 1 322 . 19 1 1 A 34 34 ALA N N 34 121.600 123.507 -1.907 1 1 323 . 19 1 1 A 35 35 PHE H H 35 8.580 8.151 0.429 1 1 324 . 19 1 1 A 35 35 PHE HA H 35 4.740 5.325 -0.585 1 1 330 . 19 1 1 A 35 35 PHE C C 35 170.000 172.741 -2.741 1 1 331 . 19 1 1 A 35 35 PHE CA C 35 57.100 55.839 1.261 1 1 332 . 19 1 1 A 35 35 PHE CB C 35 39.700 41.085 -1.385 1 1 336 . 19 1 1 A 35 35 PHE N N 35 116.600 116.825 -0.225 1 1 337 . 19 1 1 A 36 36 ALA H H 36 8.730 8.725 0.005 1 1 338 . 19 1 1 A 36 36 ALA HA H 36 5.170 5.230 -0.060 1 1 342 . 19 1 1 A 36 36 ALA CA C 36 49.100 49.810 -0.710 1 1 343 . 19 1 1 A 36 36 ALA CB C 36 20.500 21.419 -0.919 1 1 344 . 19 1 1 A 36 36 ALA N N 36 123.400 122.055 1.345 1 1 345 . 19 1 1 A 37 37 PRO HA H 37 4.740 4.512 0.228 1 1 350 . 19 1 1 A 37 37 PRO C C 37 176.500 176.888 -0.388 1 1 351 . 19 1 1 A 37 37 PRO CA C 37 66.200 65.473 0.727 1 1 352 . 19 1 1 A 37 37 PRO CB C 37 33.600 31.788 1.812 1 1 354 . 19 1 1 A 38 38 GLU H H 38 7.450 7.982 -0.532 1 1 355 . 19 1 1 A 38 38 GLU HA H 38 4.790 4.849 -0.059 1 1 360 . 19 1 1 A 38 38 GLU C C 38 177.300 175.445 1.855 1 1 361 . 19 1 1 A 38 38 GLU CA C 38 54.200 55.169 -0.969 1 1 362 . 19 1 1 A 38 38 GLU CB C 38 32.600 31.285 1.315 1 1 364 . 19 1 1 A 38 38 GLU N N 38 110.100 116.022 -5.922 1 1 365 . 19 1 1 A 39 39 GLY H H 39 8.600 8.412 0.188 1 1 366 . 19 1 1 A 39 39 GLY HA2 H 39 3.920 4.193 -0.273 1 1 367 . 19 1 1 A 39 39 GLY HA3 H 39 4.440 4.196 0.244 1 1 368 . 19 1 1 A 39 39 GLY CA C 39 44.400 45.459 -1.059 1 1 369 . 19 1 1 A 39 39 GLY N N 39 109.500 112.790 -3.290 1 1 370 . 19 1 1 A 40 40 PRO HA H 40 4.550 4.750 -0.200 1 1 375 . 19 1 1 A 40 40 PRO C C 40 177.100 175.988 1.112 1 1 376 . 19 1 1 A 40 40 PRO CA C 40 62.500 62.659 -0.159 1 1 377 . 19 1 1 A 40 40 PRO CB C 40 32.700 32.235 0.465 1 1 378 . 19 1 1 A 41 41 VAL H H 41 8.530 8.545 -0.015 1 1 379 . 19 1 1 A 41 41 VAL HA H 41 3.900 4.658 -0.758 1 1 387 . 19 1 1 A 41 41 VAL C C 41 175.200 174.880 0.320 1 1 388 . 19 1 1 A 41 41 VAL CA C 41 63.000 61.014 1.986 1 1 389 . 19 1 1 A 41 41 VAL CB C 41 31.100 33.424 -2.324 1 1 392 . 19 1 1 A 41 41 VAL N N 41 123.000 123.462 -0.462 1 1 393 . 19 1 1 A 42 42 ALA H H 42 8.320 8.981 -0.661 1 1 394 . 19 1 1 A 42 42 ALA HA H 42 4.750 4.971 -0.221 1 1 398 . 19 1 1 A 42 42 ALA C C 42 177.400 175.441 1.959 1 1 399 . 19 1 1 A 42 42 ALA CA C 42 50.800 51.155 -0.355 1 1 400 . 19 1 1 A 42 42 ALA CB C 42 21.400 24.375 -2.975 1 1 401 . 19 1 1 A 42 42 ALA N N 42 131.300 129.186 2.114 1 1 402 . 19 1 1 A 43 43 SER H H 43 8.660 8.530 0.130 1 1 403 . 19 1 1 A 43 43 SER HA H 43 4.690 5.139 -0.449 1 1 406 . 19 1 1 A 43 43 SER CA C 43 59.000 56.274 2.726 1 1 407 . 19 1 1 A 43 43 SER CB C 43 62.800 65.166 -2.366 1 1 408 . 19 1 1 A 43 43 SER N N 43 115.400 112.233 3.167 1 1 409 . 19 1 1 A 44 44 TRP HA H 44 5.470 4.967 0.503 1 1 418 . 19 1 1 A 44 44 TRP CA C 44 52.200 55.520 -3.320 1 1 419 . 19 1 1 A 44 44 TRP CB C 44 31.000 31.267 -0.267 1 1 426 . 19 1 1 A 45 45 PRO HA H 45 4.550 4.483 0.067 1 1 431 . 19 1 1 A 45 45 PRO C C 45 173.000 176.148 -3.148 1 1 432 . 19 1 1 A 45 45 PRO CA C 45 63.300 64.236 -0.936 1 1 433 . 19 1 1 A 45 45 PRO CB C 45 27.800 31.553 -3.753 1 1 435 . 19 1 1 A 46 46 VAL H H 46 8.390 7.334 1.056 1 1 436 . 19 1 1 A 46 46 VAL HA H 46 3.770 3.889 -0.119 1 1 444 . 19 1 1 A 46 46 VAL C C 46 174.100 175.907 -1.807 1 1 445 . 19 1 1 A 46 46 VAL CA C 46 61.100 62.389 -1.289 1 1 446 . 19 1 1 A 46 46 VAL CB C 46 35.200 31.922 3.278 1 1 449 . 19 1 1 A 46 46 VAL N N 46 124.300 119.423 4.877 1 1 450 . 19 1 1 A 47 47 GLN H H 47 8.970 8.930 0.040 1 1 451 . 19 1 1 A 47 47 GLN HA H 47 4.430 4.620 -0.190 1 1 456 . 19 1 1 A 47 47 GLN C C 47 175.100 174.991 0.109 1 1 457 . 19 1 1 A 47 47 GLN CA C 47 56.400 55.321 1.079 1 1 458 . 19 1 1 A 47 47 GLN CB C 47 30.900 30.441 0.459 1 1 459 . 19 1 1 A 47 47 GLN N N 47 122.000 123.445 -1.445 1 1 460 . 19 1 1 A 48 48 ARG H H 48 7.720 7.317 0.403 1 1 461 . 19 1 1 A 48 48 ARG HA H 48 4.750 4.768 -0.018 1 1 468 . 19 1 1 A 48 48 ARG CA C 48 52.800 52.643 0.157 1 1 469 . 19 1 1 A 48 48 ARG CB C 48 30.500 32.125 -1.625 1 1 471 . 19 1 1 A 48 48 ARG N N 48 116.600 118.652 -2.052 1 1 472 . 19 1 1 A 49 49 PRO HA H 49 3.750 4.560 -0.810 1 1 477 . 19 1 1 A 49 49 PRO C C 49 177.500 177.154 0.346 1 1 478 . 19 1 1 A 49 49 PRO CA C 49 65.400 64.233 1.167 1 1 479 . 19 1 1 A 49 49 PRO CB C 49 30.700 31.815 -1.115 1 1 481 . 19 1 1 A 50 50 ALA H H 50 7.960 8.237 -0.277 1 1 482 . 19 1 1 A 50 50 ALA HA H 50 4.010 4.247 -0.237 1 1 486 . 19 1 1 A 50 50 ALA C C 50 177.300 177.821 -0.521 1 1 487 . 19 1 1 A 50 50 ALA CA C 50 53.800 53.382 0.418 1 1 488 . 19 1 1 A 50 50 ALA CB C 50 18.500 19.452 -0.952 1 1 489 . 19 1 1 A 50 50 ALA N N 50 117.200 120.085 -2.885 1 1 490 . 19 1 1 A 51 51 ASP H H 51 7.570 7.674 -0.104 1 1 491 . 19 1 1 A 51 51 ASP HA H 51 4.410 4.676 -0.266 1 1 494 . 19 1 1 A 51 51 ASP C C 51 176.000 176.362 -0.362 1 1 495 . 19 1 1 A 51 51 ASP CA C 51 54.200 54.431 -0.231 1 1 496 . 19 1 1 A 51 51 ASP CB C 51 41.900 41.615 0.285 1 1 497 . 19 1 1 A 51 51 ASP N N 51 114.800 116.386 -1.586 1 1 498 . 19 1 1 A 52 52 ILE H H 52 7.290 7.372 -0.082 1 1 499 . 19 1 1 A 52 52 ILE HA H 52 3.100 3.945 -0.845 1 1 509 . 19 1 1 A 52 52 ILE C C 52 174.800 175.301 -0.501 1 1 510 . 19 1 1 A 52 52 ILE CA C 52 65.100 62.211 2.889 1 1 511 . 19 1 1 A 52 52 ILE CB C 52 37.100 37.601 -0.501 1 1 515 . 19 1 1 A 52 52 ILE N N 52 117.700 121.754 -4.054 1 1 516 . 19 1 1 A 53 53 THR H H 53 6.560 8.235 -1.675 1 1 517 . 19 1 1 A 53 53 THR HA H 53 4.720 4.977 -0.257 1 1 522 . 19 1 1 A 53 53 THR C C 53 174.600 175.818 -1.218 1 1 523 . 19 1 1 A 53 53 THR CA C 53 58.500 59.614 -1.114 1 1 524 . 19 1 1 A 53 53 THR CB C 53 72.900 72.086 0.814 1 1 526 . 19 1 1 A 53 53 THR N N 53 117.300 117.993 -0.693 1 1 527 . 19 1 1 A 54 54 ALA H H 54 9.340 9.030 0.310 1 1 528 . 19 1 1 A 54 54 ALA HA H 54 4.460 4.048 0.412 1 1 532 . 19 1 1 A 54 54 ALA C C 54 167.400 179.746 -12.346 1 1 533 . 19 1 1 A 54 54 ALA CA C 54 55.800 55.511 0.289 1 1 534 . 19 1 1 A 54 54 ALA CB C 54 18.200 18.122 0.078 1 1 535 . 19 1 1 A 54 54 ALA N N 54 123.800 124.716 -0.916 1 1 536 . 19 1 1 A 55 55 SER H H 55 8.530 8.122 0.408 1 1 537 . 19 1 1 A 55 55 SER HA H 55 4.280 4.116 0.164 1 1 541 . 19 1 1 A 55 55 SER C C 55 177.700 176.219 1.481 1 1 542 . 19 1 1 A 55 55 SER CA C 55 61.600 62.159 -0.559 1 1 543 . 19 1 1 A 55 55 SER CB C 55 62.600 63.163 -0.563 1 1 544 . 19 1 1 A 55 55 SER N N 55 112.600 113.937 -1.337 1 1 545 . 19 1 1 A 56 56 LEU H H 56 7.810 7.960 -0.150 1 1 546 . 19 1 1 A 56 56 LEU HA H 56 4.280 4.146 0.134 1 1 556 . 19 1 1 A 56 56 LEU C C 56 168.100 180.254 -12.154 1 1 557 . 19 1 1 A 56 56 LEU CA C 56 57.900 57.757 0.143 1 1 558 . 19 1 1 A 56 56 LEU CB C 56 42.100 41.330 0.770 1 1 562 . 19 1 1 A 56 56 LEU N N 56 122.500 120.809 1.691 1 1 563 . 19 1 1 A 57 57 LEU H H 57 8.490 8.192 0.298 1 1 564 . 19 1 1 A 57 57 LEU HA H 57 4.180 4.055 0.125 1 1 574 . 19 1 1 A 57 57 LEU C C 57 178.000 179.085 -1.085 1 1 575 . 19 1 1 A 57 57 LEU CA C 57 58.300 58.232 0.068 1 1 576 . 19 1 1 A 57 57 LEU CB C 57 41.200 40.993 0.207 1 1 580 . 19 1 1 A 57 57 LEU N N 57 123.900 120.385 3.515 1 1 581 . 19 1 1 A 58 58 GLN H H 58 8.500 8.535 -0.035 1 1 582 . 19 1 1 A 58 58 GLN HA H 58 3.680 3.963 -0.283 1 1 589 . 19 1 1 A 58 58 GLN C C 58 178.200 179.122 -0.922 1 1 590 . 19 1 1 A 58 58 GLN CA C 58 60.200 59.235 0.965 1 1 591 . 19 1 1 A 58 58 GLN CB C 58 28.500 28.380 0.120 1 1 593 . 19 1 1 A 58 58 GLN N N 58 118.800 118.771 0.029 1 1 595 . 19 1 1 A 59 59 GLN H H 59 8.300 7.745 0.555 1 1 596 . 19 1 1 A 59 59 GLN HA H 59 4.090 4.072 0.018 1 1 601 . 19 1 1 A 59 59 GLN C C 59 179.900 178.679 1.221 1 1 602 . 19 1 1 A 59 59 GLN CA C 59 58.900 58.749 0.151 1 1 603 . 19 1 1 A 59 59 GLN CB C 59 28.800 28.587 0.213 1 1 605 . 19 1 1 A 59 59 GLN N N 59 118.600 119.040 -0.440 1 1 606 . 19 1 1 A 60 60 ALA H H 60 7.850 8.026 -0.176 1 1 607 . 19 1 1 A 60 60 ALA HA H 60 3.580 3.978 -0.398 1 1 611 . 19 1 1 A 60 60 ALA C C 60 176.700 179.137 -2.437 1 1 612 . 19 1 1 A 60 60 ALA CA C 60 54.700 53.526 1.174 1 1 613 . 19 1 1 A 60 60 ALA CB C 60 17.400 18.078 -0.678 1 1 614 . 19 1 1 A 60 60 ALA N N 60 122.500 121.798 0.702 1 1 615 . 19 1 1 A 61 61 ALA H H 61 7.540 7.263 0.277 1 1 616 . 19 1 1 A 61 61 ALA HA H 61 3.970 4.209 -0.239 1 1 620 . 19 1 1 A 61 61 ALA C C 61 176.300 177.984 -1.684 1 1 621 . 19 1 1 A 61 61 ALA CA C 61 52.400 52.136 0.264 1 1 622 . 19 1 1 A 61 61 ALA CB C 61 19.100 19.340 -0.240 1 1 623 . 19 1 1 A 61 61 ALA N N 61 113.700 118.883 -5.183 1 1 624 . 19 1 1 A 62 62 GLY H H 62 7.600 7.569 0.031 1 1 625 . 19 1 1 A 62 62 GLY HA2 H 62 3.890 3.881 0.009 1 1 626 . 19 1 1 A 62 62 GLY HA3 H 62 3.980 3.887 0.093 1 1 627 . 19 1 1 A 62 62 GLY C C 62 175.400 175.388 0.012 1 1 628 . 19 1 1 A 62 62 GLY CA C 62 45.800 45.498 0.302 1 1 629 . 19 1 1 A 62 62 GLY N N 62 104.800 105.877 -1.077 1 1 630 . 19 1 1 A 63 63 LEU H H 63 7.770 7.936 -0.166 1 1 631 . 19 1 1 A 63 63 LEU HA H 63 4.430 4.382 0.048 1 1 640 . 19 1 1 A 63 63 LEU C C 63 176.400 176.776 -0.376 1 1 641 . 19 1 1 A 63 63 LEU CA C 63 54.000 55.291 -1.291 1 1 642 . 19 1 1 A 63 63 LEU CB C 63 42.500 41.523 0.977 1 1 645 . 19 1 1 A 63 63 LEU N N 63 119.100 118.948 0.152 1 1 646 . 19 1 1 A 64 64 ALA H H 64 8.060 7.614 0.446 1 1 647 . 19 1 1 A 64 64 ALA HA H 64 4.160 4.381 -0.221 1 1 651 . 19 1 1 A 64 64 ALA C C 64 177.300 175.793 1.507 1 1 652 . 19 1 1 A 64 64 ALA CA C 64 52.700 51.392 1.308 1 1 653 . 19 1 1 A 64 64 ALA CB C 64 19.700 17.652 2.048 1 1 654 . 19 1 1 A 64 64 ALA N N 64 122.900 123.328 -0.428 1 1 655 . 19 1 1 A 65 65 GLU H H 65 8.260 8.033 0.227 1 1 656 . 19 1 1 A 65 65 GLU C C 65 176.300 176.127 0.173 1 1 657 . 19 1 1 A 65 65 GLU CA C 65 56.400 55.905 0.495 1 1 658 . 19 1 1 A 65 65 GLU CB C 65 30.100 29.756 0.344 1 1 659 . 19 1 1 A 65 65 GLU N N 65 118.900 122.433 -3.533 1 1 660 . 19 1 1 A 66 66 VAL H H 66 7.960 8.473 -0.513 1 1 661 . 19 1 1 A 66 66 VAL HA H 66 4.020 3.869 0.151 1 1 663 . 19 1 1 A 66 66 VAL C C 66 175.900 176.444 -0.544 1 1 664 . 19 1 1 A 66 66 VAL CA C 66 62.300 65.822 -3.522 1 1 665 . 19 1 1 A 66 66 VAL CB C 66 32.800 32.244 0.556 1 1 666 . 19 1 1 A 66 66 VAL N N 66 121.500 126.640 -5.140 1 1 667 . 19 1 1 A 67 67 VAL H H 67 8.210 7.587 0.623 1 1 668 . 19 1 1 A 67 67 VAL C C 67 175.800 175.220 0.580 1 1 669 . 19 1 1 A 67 67 VAL CA C 67 62.200 62.314 -0.114 1 1 670 . 19 1 1 A 67 67 VAL CB C 67 32.600 31.098 1.502 1 1 671 . 19 1 1 A 67 67 VAL N N 67 124.900 120.736 4.164 1 1 672 . 19 1 1 A 68 68 ARG H H 68 8.380 8.861 -0.481 1 1 673 . 19 1 1 A 68 68 ARG HA H 68 4.270 4.658 -0.388 1 1 674 . 19 1 1 A 68 68 ARG C C 68 175.400 175.285 0.115 1 1 675 . 19 1 1 A 68 68 ARG CA C 68 55.700 54.609 1.091 1 1 676 . 19 1 1 A 68 68 ARG CB C 68 31.100 30.444 0.656 1 1 677 . 19 1 1 A 68 68 ARG N N 68 125.900 128.416 -2.516 1 1 678 . 19 1 1 A 69 69 ASP H H 69 8.390 8.573 -0.183 1 1 679 . 19 1 1 A 69 69 ASP HA H 69 4.800 4.810 -0.010 1 1 682 . 19 1 1 A 69 69 ASP CA C 69 51.700 55.300 -3.600 1 1 683 . 19 1 1 A 69 69 ASP CB C 69 41.700 43.132 -1.432 1 1 684 . 19 1 1 A 69 69 ASP N N 69 123.600 123.628 -0.028 1 1 685 . 19 1 1 A 70 70 PRO HA H 70 4.290 4.303 -0.013 1 1 688 . 19 1 1 A 70 70 PRO C C 70 177.500 178.108 -0.608 1 1 689 . 19 1 1 A 70 70 PRO CA C 70 64.100 64.733 -0.633 1 1 690 . 19 1 1 A 70 70 PRO CB C 70 32.300 31.398 0.902 1 1 691 . 19 1 1 A 71 71 LEU H H 71 8.280 7.778 0.502 1 1 692 . 19 1 1 A 71 71 LEU HA H 71 4.260 3.972 0.288 1 1 698 . 19 1 1 A 71 71 LEU C C 71 177.600 176.646 0.954 1 1 699 . 19 1 1 A 71 71 LEU CA C 71 55.100 56.291 -1.191 1 1 700 . 19 1 1 A 71 71 LEU CB C 71 41.200 41.551 -0.351 1 1 702 . 19 1 1 A 71 71 LEU N N 71 118.400 116.676 1.724 1 1 703 . 19 1 1 A 72 72 ALA H H 72 7.660 7.305 0.355 1 1 704 . 19 1 1 A 72 72 ALA HA H 72 4.170 4.390 -0.220 1 1 708 . 19 1 1 A 72 72 ALA C C 72 177.400 176.159 1.241 1 1 709 . 19 1 1 A 72 72 ALA CA C 72 52.600 50.795 1.805 1 1 710 . 19 1 1 A 72 72 ALA CB C 72 19.200 21.347 -2.147 1 1 711 . 19 1 1 A 72 72 ALA N N 72 122.900 120.353 2.547 1 1 712 . 19 1 1 A 73 73 PHE H H 73 7.940 8.679 -0.739 1 1 713 . 19 1 1 A 73 73 PHE HA H 73 4.510 4.931 -0.421 1 1 717 . 19 1 1 A 73 73 PHE C C 73 175.600 176.382 -0.782 1 1 718 . 19 1 1 A 73 73 PHE CA C 73 57.800 56.907 0.893 1 1 719 . 19 1 1 A 73 73 PHE CB C 73 39.100 43.202 -4.102 1 1 720 . 19 1 1 A 73 73 PHE N N 73 118.200 117.960 0.240 1 1 721 . 19 1 1 A 74 74 LEU H H 74 7.890 8.816 -0.926 1 1 722 . 19 1 1 A 74 74 LEU CA C 74 55.200 54.977 0.223 1 1 723 . 19 1 1 A 74 74 LEU CB C 74 42.400 43.126 -0.726 1 1 724 . 19 1 1 A 74 74 LEU N N 74 122.600 122.887 -0.287 1 1 725 . 19 1 1 A 78 78 GLU C C 78 176.600 177.474 -0.874 1 1 726 . 19 1 1 A 78 78 GLU CA C 78 57.500 59.079 -1.579 1 1 727 . 19 1 1 A 78 78 GLU CB C 78 30.100 28.190 1.910 1 1 728 . 19 1 1 A 79 79 ALA H H 79 8.460 8.503 -0.043 1 1 729 . 19 1 1 A 79 79 ALA C C 79 178.300 179.040 -0.740 1 1 730 . 19 1 1 A 79 79 ALA CA C 79 52.900 54.703 -1.803 1 1 731 . 19 1 1 A 79 79 ALA CB C 79 19.200 18.361 0.839 1 1 732 . 19 1 1 A 79 79 ALA N N 79 124.700 122.759 1.941 1 1 733 . 19 1 1 A 80 80 GLY H H 80 8.330 8.295 0.035 1 1 734 . 19 1 1 A 80 80 GLY C C 80 174.100 174.785 -0.685 1 1 735 . 19 1 1 A 80 80 GLY CA C 80 45.100 46.397 -1.297 1 1 736 . 19 1 1 A 80 80 GLY N N 80 108.200 105.516 2.684 1 1 737 . 19 1 1 A 81 81 ALA H H 81 8.140 7.681 0.459 1 1 738 . 19 1 1 A 81 81 ALA HA H 81 4.170 4.392 -0.222 1 1 739 . 19 1 1 A 81 81 ALA C C 81 178.400 177.754 0.646 1 1 740 . 19 1 1 A 81 81 ALA CA C 81 52.800 51.561 1.239 1 1 741 . 19 1 1 A 81 81 ALA CB C 81 19.200 19.222 -0.022 1 1 742 . 19 1 1 A 81 81 ALA N N 81 123.600 121.974 1.626 1 1 743 . 19 1 1 A 82 82 GLY H H 82 8.400 7.957 0.443 1 1 744 . 19 1 1 A 82 82 GLY HA2 H 82 3.860 4.011 -0.151 1 1 745 . 19 1 1 A 82 82 GLY HA3 H 82 2.880 4.013 -1.133 1 1 746 . 19 1 1 A 82 82 GLY C C 82 173.600 175.304 -1.704 1 1 747 . 19 1 1 A 82 82 GLY CA C 82 45.200 46.378 -1.178 1 1 748 . 19 1 1 A 82 82 GLY N N 82 108.000 106.281 1.719 1 1 749 . 19 1 1 A 83 83 ALA H H 83 7.980 8.226 -0.246 1 1 750 . 19 1 1 A 83 83 ALA HA H 83 4.280 4.282 -0.002 1 1 754 . 19 1 1 A 83 83 ALA C C 83 177.200 176.917 0.283 1 1 755 . 19 1 1 A 83 83 ALA CA C 83 52.100 52.049 0.051 1 1 756 . 19 1 1 A 83 83 ALA CB C 83 19.500 19.985 -0.485 1 1 757 . 19 1 1 A 83 83 ALA N N 83 123.300 119.964 3.336 1 1 758 . 19 1 1 A 84 84 ARG H H 84 8.240 7.557 0.683 1 1 759 . 19 1 1 A 84 84 ARG HA H 84 4.610 4.696 -0.086 1 1 762 . 19 1 1 A 84 84 ARG CA C 84 54.000 52.896 1.104 1 1 763 . 19 1 1 A 84 84 ARG CB C 84 30.500 31.134 -0.634 1 1 764 . 19 1 1 A 84 84 ARG N N 84 121.700 118.052 3.648 1 1 765 . 19 1 1 A 85 85 PRO HA H 85 4.390 4.531 -0.141 1 1 770 . 19 1 1 A 85 85 PRO C C 85 177.000 176.172 0.828 1 1 771 . 19 1 1 A 85 85 PRO CA C 85 62.900 63.329 -0.429 1 1 772 . 19 1 1 A 85 85 PRO CB C 85 32.200 30.431 1.769 1 1 773 . 19 1 1 A 86 86 ALA H H 86 8.600 8.636 -0.036 1 1 774 . 19 1 1 A 86 86 ALA HA H 86 4.150 4.400 -0.250 1 1 778 . 19 1 1 A 86 86 ALA C C 86 177.800 177.889 -0.089 1 1 779 . 19 1 1 A 86 86 ALA CA C 86 53.400 52.845 0.555 1 1 780 . 19 1 1 A 86 86 ALA CB C 86 18.900 19.076 -0.176 1 1 781 . 19 1 1 A 86 86 ALA N N 86 124.900 123.967 0.933 1 1 782 . 19 1 1 A 87 87 ASN H H 87 8.380 8.070 0.310 1 1 783 . 19 1 1 A 87 87 ASN HA H 87 4.590 4.816 -0.226 1 1 786 . 19 1 1 A 87 87 ASN C C 87 174.400 175.415 -1.015 1 1 787 . 19 1 1 A 87 87 ASN CA C 87 52.600 54.184 -1.584 1 1 788 . 19 1 1 A 87 87 ASN CB C 87 38.300 41.251 -2.951 1 1 789 . 19 1 1 A 87 87 ASN N N 87 114.900 115.533 -0.633 1 1 790 . 19 1 1 A 88 88 ALA H H 88 7.800 7.576 0.224 1 1 791 . 19 1 1 A 88 88 ALA HA H 88 4.400 4.495 -0.095 1 1 795 . 19 1 1 A 88 88 ALA CA C 88 50.400 50.424 -0.024 1 1 796 . 19 1 1 A 88 88 ALA CB C 88 17.900 19.400 -1.500 1 1 797 . 19 1 1 A 88 88 ALA N N 88 123.600 121.811 1.789 1 1 798 . 19 1 1 A 89 89 PRO HA H 89 4.390 4.560 -0.170 1 1 805 . 19 1 1 A 89 89 PRO C C 89 175.000 177.073 -2.073 1 1 806 . 19 1 1 A 89 89 PRO CA C 89 62.400 62.663 -0.263 1 1 807 . 19 1 1 A 89 89 PRO CB C 89 31.700 32.484 -0.784 1 1 810 . 19 1 1 A 90 90 GLU H H 90 9.000 8.522 0.478 1 1 811 . 19 1 1 A 90 90 GLU HA H 90 4.310 4.344 -0.034 1 1 814 . 19 1 1 A 90 90 GLU C C 90 177.300 175.703 1.597 1 1 815 . 19 1 1 A 90 90 GLU CA C 90 58.000 59.024 -1.024 1 1 816 . 19 1 1 A 90 90 GLU CB C 90 31.400 30.736 0.664 1 1 817 . 19 1 1 A 90 90 GLU N N 90 117.700 120.202 -2.502 1 1 818 . 19 1 1 A 91 91 VAL H H 91 7.310 7.518 -0.208 1 1 819 . 19 1 1 A 91 91 VAL HA H 91 4.570 4.922 -0.352 1 1 827 . 19 1 1 A 91 91 VAL C C 91 171.000 173.214 -2.214 1 1 828 . 19 1 1 A 91 91 VAL CA C 91 59.700 59.863 -0.163 1 1 829 . 19 1 1 A 91 91 VAL CB C 91 35.600 35.450 0.150 1 1 832 . 19 1 1 A 91 91 VAL N N 91 115.900 117.732 -1.832 1 1 833 . 19 1 1 A 92 92 LEU H H 92 8.700 9.495 -0.795 1 1 834 . 19 1 1 A 92 92 LEU HA H 92 4.950 5.319 -0.369 1 1 844 . 19 1 1 A 92 92 LEU C C 92 174.300 174.610 -0.310 1 1 845 . 19 1 1 A 92 92 LEU CA C 92 52.700 53.336 -0.636 1 1 846 . 19 1 1 A 92 92 LEU CB C 92 44.100 44.572 -0.472 1 1 850 . 19 1 1 A 92 92 LEU N N 92 128.500 130.098 -1.598 1 1 851 . 19 1 1 A 93 93 LEU H H 93 8.770 9.399 -0.629 1 1 852 . 19 1 1 A 93 93 LEU HA H 93 4.910 4.782 0.128 1 1 862 . 19 1 1 A 93 93 LEU C C 93 174.900 175.775 -0.875 1 1 863 . 19 1 1 A 93 93 LEU CA C 93 52.600 53.614 -1.014 1 1 864 . 19 1 1 A 93 93 LEU CB C 93 44.300 41.300 3.000 1 1 868 . 19 1 1 A 93 93 LEU N N 93 127.300 128.769 -1.469 1 1 869 . 19 1 1 A 94 94 VAL H H 94 8.800 9.371 -0.571 1 1 870 . 19 1 1 A 94 94 VAL HA H 94 4.880 4.935 -0.055 1 1 878 . 19 1 1 A 94 94 VAL C C 94 175.000 175.152 -0.152 1 1 879 . 19 1 1 A 94 94 VAL CA C 94 60.000 60.763 -0.763 1 1 880 . 19 1 1 A 94 94 VAL CB C 94 33.900 33.372 0.528 1 1 883 . 19 1 1 A 94 94 VAL N N 94 122.000 125.570 -3.570 1 1 884 . 19 1 1 A 95 95 GLY H H 95 9.730 9.337 0.393 1 1 885 . 19 1 1 A 95 95 GLY HA2 H 95 3.240 3.992 -0.752 1 1 886 . 19 1 1 A 95 95 GLY HA3 H 95 4.940 4.006 0.934 1 1 887 . 19 1 1 A 95 95 GLY C C 95 175.000 175.148 -0.148 1 1 888 . 19 1 1 A 95 95 GLY CA C 95 45.500 45.412 0.088 1 1 889 . 19 1 1 A 95 95 GLY N N 95 114.000 115.386 -1.386 1 1 890 . 19 1 1 A 96 96 THR H H 96 9.320 8.711 0.609 1 1 891 . 19 1 1 A 96 96 THR HA H 96 4.210 4.561 -0.351 1 1 896 . 19 1 1 A 96 96 THR C C 96 173.000 175.332 -2.332 1 1 897 . 19 1 1 A 96 96 THR CA C 96 61.800 61.411 0.389 1 1 898 . 19 1 1 A 96 96 THR CB C 96 67.600 68.660 -1.060 1 1 900 . 19 1 1 A 96 96 THR N N 96 113.800 115.946 -2.146 1 1 901 . 19 1 1 A 97 97 GLY H H 97 8.600 9.201 -0.601 1 1 902 . 19 1 1 A 97 97 GLY HA2 H 97 3.580 3.897 -0.317 1 1 903 . 19 1 1 A 97 97 GLY HA3 H 97 4.500 3.908 0.592 1 1 904 . 19 1 1 A 97 97 GLY C C 97 174.800 175.011 -0.211 1 1 905 . 19 1 1 A 97 97 GLY CA C 97 44.000 47.354 -3.354 1 1 906 . 19 1 1 A 97 97 GLY N N 97 110.900 111.804 -0.904 1 1 907 . 19 1 1 A 98 98 ARG H H 98 9.400 8.848 0.552 1 1 908 . 19 1 1 A 98 98 ARG HA H 98 4.110 4.322 -0.212 1 1 911 . 19 1 1 A 98 98 ARG C C 98 175.700 175.307 0.393 1 1 912 . 19 1 1 A 98 98 ARG CA C 98 58.800 57.416 1.384 1 1 913 . 19 1 1 A 98 98 ARG CB C 98 30.700 31.846 -1.146 1 1 914 . 19 1 1 A 98 98 ARG N N 98 125.500 126.947 -1.447 1 1 915 . 19 1 1 A 99 99 ARG H H 99 8.180 7.626 0.554 1 1 916 . 19 1 1 A 99 99 ARG HA H 99 4.640 5.054 -0.414 1 1 919 . 19 1 1 A 99 99 ARG C C 99 175.000 174.747 0.253 1 1 920 . 19 1 1 A 99 99 ARG CA C 99 53.100 54.458 -1.358 1 1 921 . 19 1 1 A 99 99 ARG CB C 99 33.200 34.904 -1.704 1 1 922 . 19 1 1 A 99 99 ARG N N 99 114.300 116.900 -2.600 1 1 923 . 19 1 1 A 100 100 GLN H H 100 8.710 8.442 0.268 1 1 924 . 19 1 1 A 100 100 GLN HA H 100 3.620 4.492 -0.872 1 1 929 . 19 1 1 A 100 100 GLN C C 100 173.900 174.580 -0.680 1 1 930 . 19 1 1 A 100 100 GLN CA C 100 56.400 56.277 0.123 1 1 931 . 19 1 1 A 100 100 GLN CB C 100 29.600 28.779 0.821 1 1 933 . 19 1 1 A 100 100 GLN N N 100 121.700 121.672 0.028 1 1 934 . 19 1 1 A 101 101 HIS H H 101 7.900 9.162 -1.262 1 1 935 . 19 1 1 A 101 101 HIS HA H 101 4.530 5.396 -0.866 1 1 939 . 19 1 1 A 101 101 HIS C C 101 173.100 174.587 -1.487 1 1 940 . 19 1 1 A 101 101 HIS CA C 101 55.100 53.841 1.259 1 1 941 . 19 1 1 A 101 101 HIS CB C 101 32.100 32.154 -0.054 1 1 942 . 19 1 1 A 101 101 HIS N N 101 130.600 127.538 3.062 1 1 943 . 19 1 1 A 102 102 LEU H H 102 8.080 8.568 -0.488 1 1 944 . 19 1 1 A 102 102 LEU HA H 102 4.060 4.121 -0.061 1 1 948 . 19 1 1 A 102 102 LEU C C 102 177.200 176.633 0.567 1 1 949 . 19 1 1 A 102 102 LEU CA C 102 54.900 55.345 -0.445 1 1 950 . 19 1 1 A 102 102 LEU CB C 102 41.600 41.869 -0.269 1 1 951 . 19 1 1 A 102 102 LEU N N 102 121.400 128.001 -6.601 1 1 952 . 19 1 1 A 103 103 LEU H H 103 8.260 8.304 -0.044 1 1 953 . 19 1 1 A 103 103 LEU HA H 103 4.490 4.710 -0.220 1 1 963 . 19 1 1 A 103 103 LEU C C 103 177.100 176.648 0.452 1 1 964 . 19 1 1 A 103 103 LEU CA C 103 53.400 53.321 0.079 1 1 965 . 19 1 1 A 103 103 LEU CB C 103 42.600 42.948 -0.348 1 1 969 . 19 1 1 A 103 103 LEU N N 103 123.000 123.068 -0.068 1 1 970 . 19 1 1 A 104 104 GLY H H 104 8.820 8.865 -0.045 1 1 971 . 19 1 1 A 104 104 GLY HA2 H 104 3.930 4.235 -0.305 1 1 972 . 19 1 1 A 104 104 GLY HA3 H 104 4.440 4.250 0.190 1 1 973 . 19 1 1 A 104 104 GLY CA C 104 44.500 43.817 0.683 1 1 974 . 19 1 1 A 104 104 GLY N N 104 110.200 108.446 1.754 1 1 975 . 19 1 1 A 105 105 PRO HA H 105 4.230 4.296 -0.066 1 1 978 . 19 1 1 A 105 105 PRO C C 105 178.900 178.168 0.732 1 1 979 . 19 1 1 A 105 105 PRO CA C 105 65.200 65.242 -0.042 1 1 980 . 19 1 1 A 105 105 PRO CB C 105 31.900 31.700 0.200 1 1 981 . 19 1 1 A 106 106 GLU H H 106 9.150 8.536 0.614 1 1 982 . 19 1 1 A 106 106 GLU HA H 106 4.080 4.167 -0.087 1 1 987 . 19 1 1 A 106 106 GLU C C 106 178.500 177.303 1.197 1 1 988 . 19 1 1 A 106 106 GLU CA C 106 58.600 57.972 0.628 1 1 989 . 19 1 1 A 106 106 GLU CB C 106 28.500 29.160 -0.660 1 1 991 . 19 1 1 A 106 106 GLU N N 106 115.400 116.645 -1.245 1 1 992 . 19 1 1 A 107 107 GLN H H 107 7.680 7.784 -0.104 1 1 993 . 19 1 1 A 107 107 GLN HA H 107 4.160 4.385 -0.225 1 1 998 . 19 1 1 A 107 107 GLN C C 107 175.200 177.598 -2.398 1 1 999 . 19 1 1 A 107 107 GLN CA C 107 58.500 57.146 1.354 1 1 1000 . 19 1 1 A 107 107 GLN CB C 107 29.400 29.727 -0.327 1 1 1002 . 19 1 1 A 107 107 GLN N N 107 116.100 117.979 -1.879 1 1 1003 . 19 1 1 A 108 108 VAL H H 108 7.080 7.425 -0.345 1 1 1004 . 19 1 1 A 108 108 VAL HA H 108 4.270 3.908 0.362 1 1 1012 . 19 1 1 A 108 108 VAL C C 108 177.500 177.912 -0.412 1 1 1013 . 19 1 1 A 108 108 VAL CA C 108 62.000 65.062 -3.062 1 1 1014 . 19 1 1 A 108 108 VAL CB C 108 33.000 31.691 1.309 1 1 1017 . 19 1 1 A 108 108 VAL N N 108 104.800 116.352 -11.552 1 1 1018 . 19 1 1 A 109 109 ARG H H 109 8.220 8.372 -0.152 1 1 1019 . 19 1 1 A 109 109 ARG HA H 109 4.060 4.090 -0.030 1 1 1024 . 19 1 1 A 109 109 ARG CA C 109 61.700 60.994 0.706 1 1 1025 . 19 1 1 A 109 109 ARG CB C 109 27.600 28.165 -0.565 1 1 1027 . 19 1 1 A 109 109 ARG N N 109 123.100 122.023 1.077 1 1 1028 . 19 1 1 A 110 110 PRO HA H 110 4.290 4.268 0.022 1 1 1035 . 19 1 1 A 110 110 PRO C C 110 173.000 179.474 -6.474 1 1 1036 . 19 1 1 A 110 110 PRO CA C 110 65.800 66.296 -0.496 1 1 1037 . 19 1 1 A 110 110 PRO CB C 110 31.400 30.659 0.741 1 1 1040 . 19 1 1 A 111 111 LEU H H 111 7.080 7.749 -0.669 1 1 1041 . 19 1 1 A 111 111 LEU HA H 111 4.050 4.027 0.023 1 1 1051 . 19 1 1 A 111 111 LEU C C 111 178.800 179.187 -0.387 1 1 1052 . 19 1 1 A 111 111 LEU CA C 111 57.400 57.467 -0.067 1 1 1053 . 19 1 1 A 111 111 LEU CB C 111 40.100 41.532 -1.432 1 1 1056 . 19 1 1 A 111 111 LEU N N 111 117.700 116.572 1.128 1 1 1057 . 19 1 1 A 112 112 LEU H H 112 7.950 8.283 -0.333 1 1 1058 . 19 1 1 A 112 112 LEU HA H 112 4.050 3.990 0.060 1 1 1068 . 19 1 1 A 112 112 LEU C C 112 169.000 179.576 -10.576 1 1 1069 . 19 1 1 A 112 112 LEU CA C 112 58.000 57.719 0.281 1 1 1070 . 19 1 1 A 112 112 LEU CB C 112 41.100 40.649 0.451 1 1 1074 . 19 1 1 A 112 112 LEU N N 112 121.700 119.374 2.326 1 1 1075 . 19 1 1 A 113 113 ALA H H 113 8.230 8.178 0.052 1 1 1076 . 19 1 1 A 113 113 ALA HA H 113 4.110 4.109 0.001 1 1 1080 . 19 1 1 A 113 113 ALA C C 113 178.700 178.743 -0.043 1 1 1081 . 19 1 1 A 113 113 ALA CA C 113 54.400 54.571 -0.171 1 1 1082 . 19 1 1 A 113 113 ALA CB C 113 18.100 18.275 -0.175 1 1 1083 . 19 1 1 A 113 113 ALA N N 113 120.900 122.207 -1.307 1 1 1084 . 19 1 1 A 114 114 MET H H 114 7.270 7.638 -0.368 1 1 1085 . 19 1 1 A 114 114 MET HA H 114 4.490 4.467 0.023 1 1 1093 . 19 1 1 A 114 114 MET C C 114 175.100 176.262 -1.162 1 1 1094 . 19 1 1 A 114 114 MET CA C 114 55.100 56.061 -0.961 1 1 1095 . 19 1 1 A 114 114 MET CB C 114 33.700 32.984 0.716 1 1 1098 . 19 1 1 A 114 114 MET N N 114 115.100 115.610 -0.510 1 1 1099 . 19 1 1 A 115 115 GLY H H 115 7.830 7.848 -0.018 1 1 1100 . 19 1 1 A 115 115 GLY HA2 H 115 3.660 4.064 -0.404 1 1 1101 . 19 1 1 A 115 115 GLY HA3 H 115 4.060 4.064 -0.004 1 1 1102 . 19 1 1 A 115 115 GLY C C 115 173.700 174.251 -0.551 1 1 1103 . 19 1 1 A 115 115 GLY CA C 115 45.600 44.894 0.706 1 1 1104 . 19 1 1 A 115 115 GLY N N 115 106.300 105.954 0.346 1 1 1105 . 19 1 1 A 116 116 VAL H H 116 7.710 8.155 -0.445 1 1 1106 . 19 1 1 A 116 116 VAL HA H 116 3.820 4.159 -0.339 1 1 1114 . 19 1 1 A 116 116 VAL C C 116 174.800 175.191 -0.391 1 1 1115 . 19 1 1 A 116 116 VAL CA C 116 61.200 61.868 -0.668 1 1 1116 . 19 1 1 A 116 116 VAL CB C 116 32.800 31.890 0.910 1 1 1119 . 19 1 1 A 116 116 VAL N N 116 123.600 122.518 1.082 1 1 1120 . 19 1 1 A 117 117 GLY H H 117 7.730 9.433 -1.703 1 1 1121 . 19 1 1 A 117 117 GLY HA2 H 117 3.570 4.073 -0.503 1 1 1122 . 19 1 1 A 117 117 GLY HA3 H 117 4.040 4.074 -0.034 1 1 1123 . 19 1 1 A 117 117 GLY C C 117 172.600 174.388 -1.788 1 1 1124 . 19 1 1 A 117 117 GLY CA C 117 45.500 44.696 0.804 1 1 1125 . 19 1 1 A 117 117 GLY N N 117 111.400 114.624 -3.224 1 1 1126 . 19 1 1 A 118 118 VAL H H 118 7.740 9.240 -1.500 1 1 1127 . 19 1 1 A 118 118 VAL HA H 118 5.100 4.547 0.553 1 1 1135 . 19 1 1 A 118 118 VAL C C 118 175.500 175.190 0.310 1 1 1136 . 19 1 1 A 118 118 VAL CA C 118 61.000 62.286 -1.286 1 1 1137 . 19 1 1 A 118 118 VAL CB C 118 34.300 32.470 1.830 1 1 1140 . 19 1 1 A 118 118 VAL N N 118 120.900 125.780 -4.880 1 1 1141 . 19 1 1 A 119 119 GLU H H 119 8.490 9.256 -0.766 1 1 1142 . 19 1 1 A 119 119 GLU HA H 119 4.630 4.806 -0.176 1 1 1147 . 19 1 1 A 119 119 GLU C C 119 173.500 175.277 -1.777 1 1 1148 . 19 1 1 A 119 119 GLU CA C 119 54.600 55.174 -0.574 1 1 1149 . 19 1 1 A 119 119 GLU CB C 119 32.300 30.462 1.838 1 1 1151 . 19 1 1 A 119 119 GLU N N 119 127.000 127.413 -0.413 1 1 1152 . 19 1 1 A 120 120 ALA H H 120 8.600 8.964 -0.364 1 1 1153 . 19 1 1 A 120 120 ALA HA H 120 5.530 4.950 0.580 1 1 1157 . 19 1 1 A 120 120 ALA C C 120 177.100 176.700 0.400 1 1 1158 . 19 1 1 A 120 120 ALA CA C 120 50.300 50.909 -0.609 1 1 1159 . 19 1 1 A 120 120 ALA CB C 120 20.800 20.214 0.586 1 1 1160 . 19 1 1 A 120 120 ALA N N 120 126.500 128.757 -2.257 1 1 1161 . 19 1 1 A 121 121 MET H H 121 9.430 9.211 0.219 1 1 1162 . 19 1 1 A 121 121 MET HA H 121 4.630 4.924 -0.294 1 1 1170 . 19 1 1 A 121 121 MET C C 121 173.300 175.022 -1.722 1 1 1171 . 19 1 1 A 121 121 MET CA C 121 54.600 54.160 0.440 1 1 1172 . 19 1 1 A 121 121 MET CB C 121 36.800 37.349 -0.549 1 1 1175 . 19 1 1 A 121 121 MET N N 121 120.400 121.365 -0.965 1 1 1176 . 19 1 1 A 122 122 ASP H H 122 8.460 8.683 -0.223 1 1 1177 . 19 1 1 A 122 122 ASP HA H 122 4.170 4.697 -0.527 1 1 1180 . 19 1 1 A 122 122 ASP C C 122 175.200 177.662 -2.462 1 1 1181 . 19 1 1 A 122 122 ASP CA C 122 55.000 54.854 0.146 1 1 1182 . 19 1 1 A 122 122 ASP CB C 122 41.000 41.400 -0.400 1 1 1183 . 19 1 1 A 122 122 ASP N N 122 116.700 120.777 -4.077 1 1 1184 . 19 1 1 A 123 123 THR H H 123 9.580 8.797 0.783 1 1 1185 . 19 1 1 A 123 123 THR HA H 123 3.670 3.865 -0.195 1 1 1191 . 19 1 1 A 123 123 THR C C 123 174.400 176.074 -1.674 1 1 1192 . 19 1 1 A 123 123 THR CA C 123 68.700 66.759 1.941 1 1 1193 . 19 1 1 A 123 123 THR CB C 123 68.800 68.831 -0.031 1 1 1195 . 19 1 1 A 123 123 THR N N 123 119.600 117.301 2.299 1 1 1196 . 19 1 1 A 124 124 GLN H H 124 8.580 8.098 0.482 1 1 1197 . 19 1 1 A 124 124 GLN HA H 124 3.240 3.747 -0.507 1 1 1202 . 19 1 1 A 124 124 GLN C C 124 177.700 177.635 0.065 1 1 1203 . 19 1 1 A 124 124 GLN CA C 124 60.100 58.448 1.652 1 1 1204 . 19 1 1 A 124 124 GLN CB C 124 27.400 28.882 -1.482 1 1 1206 . 19 1 1 A 124 124 GLN N N 124 121.500 121.867 -0.367 1 1 1207 . 19 1 1 A 125 125 ALA H H 125 8.210 8.067 0.143 1 1 1208 . 19 1 1 A 125 125 ALA HA H 125 3.960 4.134 -0.174 1 1 1212 . 19 1 1 A 125 125 ALA C C 125 167.800 180.072 -12.272 1 1 1213 . 19 1 1 A 125 125 ALA CA C 125 54.800 55.038 -0.238 1 1 1214 . 19 1 1 A 125 125 ALA CB C 125 18.700 17.961 0.739 1 1 1215 . 19 1 1 A 125 125 ALA N N 125 122.600 121.341 1.259 1 1 1216 . 19 1 1 A 126 126 ALA H H 126 8.900 8.423 0.477 1 1 1217 . 19 1 1 A 126 126 ALA HA H 126 4.110 4.007 0.103 1 1 1221 . 19 1 1 A 126 126 ALA C C 126 178.500 179.051 -0.551 1 1 1222 . 19 1 1 A 126 126 ALA CA C 126 55.300 54.934 0.366 1 1 1223 . 19 1 1 A 126 126 ALA CB C 126 18.100 18.917 -0.817 1 1 1224 . 19 1 1 A 126 126 ALA N N 126 124.600 119.824 4.776 1 1 1225 . 19 1 1 A 127 127 ALA H H 127 8.440 8.037 0.403 1 1 1226 . 19 1 1 A 127 127 ALA HA H 127 3.850 3.966 -0.116 1 1 1230 . 19 1 1 A 127 127 ALA C C 127 178.400 179.351 -0.951 1 1 1231 . 19 1 1 A 127 127 ALA CA C 127 55.500 55.113 0.387 1 1 1232 . 19 1 1 A 127 127 ALA CB C 127 18.500 17.881 0.619 1 1 1233 . 19 1 1 A 127 127 ALA N N 127 120.200 119.535 0.665 1 1 1234 . 19 1 1 A 128 128 ARG H H 128 7.790 7.992 -0.202 1 1 1235 . 19 1 1 A 128 128 ARG HA H 128 4.020 4.010 0.010 1 1 1240 . 19 1 1 A 128 128 ARG C C 128 179.400 179.051 0.349 1 1 1241 . 19 1 1 A 128 128 ARG CA C 128 59.600 59.638 -0.038 1 1 1242 . 19 1 1 A 128 128 ARG CB C 128 30.800 29.570 1.230 1 1 1244 . 19 1 1 A 128 128 ARG N N 128 115.900 119.230 -3.330 1 1 1245 . 19 1 1 A 129 129 THR H H 129 8.440 8.140 0.300 1 1 1246 . 19 1 1 A 129 129 THR HA H 129 3.770 3.942 -0.172 1 1 1251 . 19 1 1 A 129 129 THR C C 129 175.300 175.964 -0.664 1 1 1252 . 19 1 1 A 129 129 THR CA C 129 67.300 66.366 0.934 1 1 1253 . 19 1 1 A 129 129 THR CB C 129 68.300 68.575 -0.275 1 1 1255 . 19 1 1 A 129 129 THR N N 129 116.400 115.002 1.398 1 1 1256 . 19 1 1 A 130 130 TYR H H 130 8.790 8.435 0.355 1 1 1257 . 19 1 1 A 130 130 TYR HA H 130 3.600 4.139 -0.539 1 1 1262 . 19 1 1 A 130 130 TYR C C 130 175.500 177.195 -1.695 1 1 1263 . 19 1 1 A 130 130 TYR CA C 130 62.600 61.981 0.619 1 1 1264 . 19 1 1 A 130 130 TYR CB C 130 37.500 38.666 -1.166 1 1 1265 . 19 1 1 A 130 130 TYR N N 130 123.500 122.813 0.687 1 1 1266 . 19 1 1 A 131 131 ASN H H 131 7.800 8.338 -0.538 1 1 1267 . 19 1 1 A 131 131 ASN HA H 131 4.220 4.324 -0.104 1 1 1270 . 19 1 1 A 131 131 ASN C C 131 179.200 178.052 1.148 1 1 1271 . 19 1 1 A 131 131 ASN CA C 131 55.500 56.562 -1.062 1 1 1272 . 19 1 1 A 131 131 ASN CB C 131 37.100 39.382 -2.282 1 1 1273 . 19 1 1 A 131 131 ASN N N 131 117.700 117.676 0.024 1 1 1274 . 19 1 1 A 132 132 ILE H H 132 7.520 7.494 0.026 1 1 1275 . 19 1 1 A 132 132 ILE HA H 132 3.710 3.640 0.070 1 1 1285 . 19 1 1 A 132 132 ILE C C 132 178.100 178.154 -0.054 1 1 1286 . 19 1 1 A 132 132 ILE CA C 132 64.900 65.078 -0.178 1 1 1287 . 19 1 1 A 132 132 ILE CB C 132 38.500 38.101 0.399 1 1 1291 . 19 1 1 A 132 132 ILE N N 132 121.000 119.368 1.632 1 1 1292 . 19 1 1 A 133 133 LEU H H 133 8.420 8.566 -0.146 1 1 1293 . 19 1 1 A 133 133 LEU HA H 133 3.910 3.890 0.020 1 1 1303 . 19 1 1 A 133 133 LEU C C 133 179.600 178.509 1.091 1 1 1304 . 19 1 1 A 133 133 LEU CA C 133 57.900 58.046 -0.146 1 1 1305 . 19 1 1 A 133 133 LEU CB C 133 41.700 41.278 0.422 1 1 1309 . 19 1 1 A 133 133 LEU N N 133 120.500 121.302 -0.802 1 1 1310 . 19 1 1 A 134 134 MET H H 134 8.990 8.387 0.603 1 1 1311 . 19 1 1 A 134 134 MET HA H 134 3.870 3.945 -0.075 1 1 1319 . 19 1 1 A 134 134 MET C C 134 167.400 177.703 -10.303 1 1 1320 . 19 1 1 A 134 134 MET CA C 134 58.400 58.376 0.024 1 1 1321 . 19 1 1 A 134 134 MET CB C 134 30.700 31.978 -1.278 1 1 1324 . 19 1 1 A 134 134 MET N N 134 119.900 118.345 1.555 1 1 1325 . 19 1 1 A 135 135 ALA H H 135 7.490 7.625 -0.135 1 1 1326 . 19 1 1 A 135 135 ALA HA H 135 4.060 4.104 -0.044 1 1 1330 . 19 1 1 A 135 135 ALA C C 135 179.100 178.398 0.702 1 1 1331 . 19 1 1 A 135 135 ALA CA C 135 54.700 53.565 1.135 1 1 1332 . 19 1 1 A 135 135 ALA CB C 135 18.000 18.691 -0.691 1 1 1333 . 19 1 1 A 135 135 ALA N N 135 124.600 120.885 3.715 1 1 1334 . 19 1 1 A 136 136 GLU H H 136 7.540 7.731 -0.191 1 1 1335 . 19 1 1 A 136 136 GLU HA H 136 4.230 4.250 -0.020 1 1 1340 . 19 1 1 A 136 136 GLU C C 136 176.900 177.154 -0.254 1 1 1341 . 19 1 1 A 136 136 GLU CA C 136 56.400 56.822 -0.422 1 1 1342 . 19 1 1 A 136 136 GLU CB C 136 30.300 30.660 -0.360 1 1 1344 . 19 1 1 A 136 136 GLU N N 136 116.500 115.767 0.733 1 1 1345 . 19 1 1 A 137 137 GLY H H 137 7.870 7.169 0.701 1 1 1346 . 19 1 1 A 137 137 GLY HA2 H 137 3.760 3.967 -0.207 1 1 1347 . 19 1 1 A 137 137 GLY HA3 H 137 4.140 3.969 0.171 1 1 1348 . 19 1 1 A 137 137 GLY C C 137 175.100 172.703 2.397 1 1 1349 . 19 1 1 A 137 137 GLY CA C 137 45.600 45.710 -0.110 1 1 1350 . 19 1 1 A 137 137 GLY N N 137 107.100 104.439 2.661 1 1 1351 . 19 1 1 A 138 138 ARG H H 138 7.580 8.470 -0.890 1 1 1352 . 19 1 1 A 138 138 ARG HA H 138 4.270 4.309 -0.039 1 1 1357 . 19 1 1 A 138 138 ARG C C 138 176.900 175.740 1.160 1 1 1358 . 19 1 1 A 138 138 ARG CA C 138 54.500 55.603 -1.103 1 1 1359 . 19 1 1 A 138 138 ARG CB C 138 30.100 29.283 0.817 1 1 1361 . 19 1 1 A 138 138 ARG N N 138 118.100 124.999 -6.899 1 1 1362 . 19 1 1 A 139 139 ARG H H 139 9.240 8.415 0.825 1 1 1363 . 19 1 1 A 139 139 ARG HA H 139 4.470 4.560 -0.090 1 1 1370 . 19 1 1 A 139 139 ARG C C 139 174.400 174.420 -0.020 1 1 1371 . 19 1 1 A 139 139 ARG CA C 139 55.700 55.006 0.694 1 1 1372 . 19 1 1 A 139 139 ARG CB C 139 28.000 31.028 -3.028 1 1 1375 . 19 1 1 A 139 139 ARG N N 139 124.400 124.639 -0.239 1 1 1376 . 19 1 1 A 140 140 VAL H H 140 7.250 7.535 -0.285 1 1 1377 . 19 1 1 A 140 140 VAL HA H 140 5.180 5.069 0.111 1 1 1385 . 19 1 1 A 140 140 VAL C C 140 172.800 174.017 -1.217 1 1 1386 . 19 1 1 A 140 140 VAL CA C 140 57.700 59.742 -2.042 1 1 1387 . 19 1 1 A 140 140 VAL CB C 140 34.700 35.557 -0.857 1 1 1390 . 19 1 1 A 140 140 VAL N N 140 121.900 120.589 1.311 1 1 1391 . 19 1 1 A 141 141 VAL H H 141 8.180 8.683 -0.503 1 1 1392 . 19 1 1 A 141 141 VAL HA H 141 4.510 4.939 -0.429 1 1 1400 . 19 1 1 A 141 141 VAL C C 141 172.600 173.956 -1.356 1 1 1401 . 19 1 1 A 141 141 VAL CA C 141 60.300 60.684 -0.384 1 1 1402 . 19 1 1 A 141 141 VAL CB C 141 35.600 35.257 0.343 1 1 1405 . 19 1 1 A 141 141 VAL N N 141 123.900 127.655 -3.755 1 1 1406 . 19 1 1 A 142 142 VAL H H 142 8.430 8.421 0.009 1 1 1407 . 19 1 1 A 142 142 VAL HA H 142 5.220 4.852 0.368 1 1 1415 . 19 1 1 A 142 142 VAL C C 142 170.000 172.779 -2.779 1 1 1416 . 19 1 1 A 142 142 VAL CA C 142 57.600 58.706 -1.106 1 1 1417 . 19 1 1 A 142 142 VAL CB C 142 35.500 34.113 1.387 1 1 1420 . 19 1 1 A 142 142 VAL N N 142 124.600 126.598 -1.998 1 1 1421 . 19 1 1 A 143 143 ALA H H 143 8.220 9.079 -0.859 1 1 1422 . 19 1 1 A 143 143 ALA HA H 143 4.680 4.981 -0.301 1 1 1426 . 19 1 1 A 143 143 ALA C C 143 175.400 175.609 -0.209 1 1 1427 . 19 1 1 A 143 143 ALA CA C 143 49.900 50.283 -0.383 1 1 1428 . 19 1 1 A 143 143 ALA CB C 143 19.600 20.268 -0.668 1 1 1429 . 19 1 1 A 143 143 ALA N N 143 129.100 129.832 -0.732 1 1 1430 . 19 1 1 A 144 144 LEU H H 144 9.070 8.817 0.253 1 1 1431 . 19 1 1 A 144 144 LEU HA H 144 4.840 5.132 -0.292 1 1 1441 . 19 1 1 A 144 144 LEU CA C 144 53.400 53.184 0.216 1 1 1442 . 19 1 1 A 144 144 LEU CB C 144 46.500 44.736 1.764 1 1 1445 . 19 1 1 A 144 144 LEU N N 144 119.600 123.646 -4.046 1 1 1446 . 19 1 1 A 145 145 LEU HA H 145 4.830 5.058 -0.228 1 1 1456 . 19 1 1 A 145 145 LEU CA C 145 51.800 51.477 0.323 1 1 1457 . 19 1 1 A 145 145 LEU CB C 145 41.700 42.659 -0.959 1 1 1461 . 19 1 1 A 146 146 PRO HA H 146 4.330 4.627 -0.297 1 1 1466 . 19 1 1 A 146 146 PRO C C 146 175.700 175.952 -0.252 1 1 1467 . 19 1 1 A 146 146 PRO CA C 146 62.800 63.879 -1.079 1 1 1468 . 19 1 1 A 146 146 PRO CB C 146 31.500 33.087 -1.587 1 1 1470 . 19 1 1 A 147 147 ASP H H 147 8.660 7.771 0.889 1 1 1471 . 19 1 1 A 147 147 ASP HA H 147 4.510 4.274 0.236 1 1 1474 . 19 1 1 A 147 147 ASP C C 147 176.300 177.161 -0.861 1 1 1475 . 19 1 1 A 147 147 ASP CA C 147 54.300 55.949 -1.649 1 1 1476 . 19 1 1 A 147 147 ASP CB C 147 42.100 40.095 2.005 1 1 1477 . 19 1 1 A 147 147 ASP N N 147 120.700 122.080 -1.380 1 1 1478 . 19 1 1 A 148 148 GLY H H 148 8.310 8.760 -0.450 1 1 1479 . 19 1 1 A 148 148 GLY HA2 H 148 4.020 4.210 -0.190 1 1 1480 . 19 1 1 A 148 148 GLY HA3 H 148 4.050 4.234 -0.184 1 1 1481 . 19 1 1 A 148 148 GLY C C 148 173.600 175.030 -1.430 1 1 1482 . 19 1 1 A 148 148 GLY CA C 148 45.200 45.570 -0.370 1 1 1483 . 19 1 1 A 148 148 GLY N N 148 109.400 112.849 -3.449 1 1 1484 . 19 1 1 A 149 149 ASP H H 149 8.550 8.570 -0.020 1 1 1485 . 19 1 1 A 149 149 ASP HA H 149 4.650 4.416 0.234 1 1 1488 . 19 1 1 A 149 149 ASP C C 149 176.700 177.802 -1.102 1 1 1489 . 19 1 1 A 149 149 ASP CA C 149 54.500 56.829 -2.329 1 1 1490 . 19 1 1 A 149 149 ASP CB C 149 41.600 39.931 1.669 1 1 1491 . 19 1 1 A 149 149 ASP N N 149 120.800 121.168 -0.368 1 1 1492 . 19 1 1 A 150 150 SER H H 150 8.600 8.008 0.592 1 1 1493 . 19 1 1 A 150 150 SER HA H 150 4.350 4.662 -0.312 1 1 1496 . 19 1 1 A 150 150 SER C C 150 175.000 174.256 0.744 1 1 1497 . 19 1 1 A 150 150 SER CA C 150 58.900 58.313 0.587 1 1 1498 . 19 1 1 A 150 150 SER CB C 150 63.500 63.280 0.220 1 1 1499 . 19 1 1 A 150 150 SER N N 150 116.400 114.710 1.690 1 1 1500 . 19 1 1 A 151 151 LEU H H 151 8.290 7.670 0.620 1 1 1501 . 19 1 1 A 151 151 LEU CA C 151 55.500 57.425 -1.925 1 1 1502 . 19 1 1 A 151 151 LEU CB C 151 41.900 39.834 2.066 1 1 5 . 20 1 1 A 4 4 HIS C C 4 174.800 174.736 0.064 1 1 6 . 20 1 1 A 4 4 HIS CA C 4 55.900 59.124 -3.224 1 1 7 . 20 1 1 A 4 4 HIS CB C 4 30.000 30.663 -0.663 1 1 8 . 20 1 1 A 5 5 THR H H 5 7.990 8.045 -0.055 1 1 9 . 20 1 1 A 5 5 THR C C 5 173.800 173.956 -0.156 1 1 10 . 20 1 1 A 5 5 THR CA C 5 61.500 61.498 0.002 1 1 11 . 20 1 1 A 5 5 THR CB C 5 69.900 69.738 0.162 1 1 12 . 20 1 1 A 5 5 THR N N 5 115.300 111.838 3.462 1 1 13 . 20 1 1 A 6 6 ASP H H 6 8.370 8.808 -0.438 1 1 14 . 20 1 1 A 6 6 ASP HA H 6 4.860 5.022 -0.162 1 1 17 . 20 1 1 A 6 6 ASP CA C 6 52.500 52.474 0.026 1 1 18 . 20 1 1 A 6 6 ASP CB C 6 41.100 40.965 0.135 1 1 19 . 20 1 1 A 6 6 ASP N N 6 124.400 127.473 -3.073 1 1 20 . 20 1 1 A 7 7 PRO HA H 7 4.350 4.524 -0.174 1 1 26 . 20 1 1 A 7 7 PRO C C 7 176.900 175.707 1.193 1 1 27 . 20 1 1 A 7 7 PRO CA C 7 63.500 63.010 0.490 1 1 28 . 20 1 1 A 7 7 PRO CB C 7 32.100 31.121 0.979 1 1 31 . 20 1 1 A 8 8 ALA H H 8 8.420 8.038 0.382 1 1 32 . 20 1 1 A 8 8 ALA HA H 8 4.260 4.709 -0.449 1 1 36 . 20 1 1 A 8 8 ALA C C 8 178.100 175.643 2.457 1 1 37 . 20 1 1 A 8 8 ALA CA C 8 52.900 52.031 0.869 1 1 38 . 20 1 1 A 8 8 ALA CB C 8 19.200 20.473 -1.273 1 1 39 . 20 1 1 A 8 8 ALA N N 8 122.700 125.756 -3.056 1 1 40 . 20 1 1 A 9 9 THR H H 9 7.880 8.662 -0.782 1 1 41 . 20 1 1 A 9 9 THR HA H 9 4.230 5.268 -1.038 1 1 46 . 20 1 1 A 9 9 THR C C 9 173.800 174.600 -0.800 1 1 47 . 20 1 1 A 9 9 THR CA C 9 61.700 59.768 1.932 1 1 48 . 20 1 1 A 9 9 THR CB C 9 69.700 71.365 -1.665 1 1 50 . 20 1 1 A 9 9 THR N N 9 112.900 114.680 -1.780 1 1 51 . 20 1 1 A 10 10 ALA H H 10 8.160 8.578 -0.418 1 1 52 . 20 1 1 A 10 10 ALA HA H 10 4.340 4.443 -0.103 1 1 56 . 20 1 1 A 10 10 ALA C C 10 177.000 177.194 -0.194 1 1 57 . 20 1 1 A 10 10 ALA CA C 10 52.300 52.155 0.145 1 1 58 . 20 1 1 A 10 10 ALA CB C 10 19.400 19.091 0.309 1 1 59 . 20 1 1 A 10 10 ALA N N 10 127.000 124.174 2.826 1 1 60 . 20 1 1 A 11 11 LEU H H 11 8.040 8.618 -0.578 1 1 61 . 20 1 1 A 11 11 LEU HA H 11 4.640 4.552 0.088 1 1 70 . 20 1 1 A 11 11 LEU C C 11 178.300 176.057 2.243 1 1 71 . 20 1 1 A 11 11 LEU CA C 11 54.000 54.747 -0.747 1 1 72 . 20 1 1 A 11 11 LEU CB C 11 42.900 41.616 1.284 1 1 75 . 20 1 1 A 11 11 LEU N N 11 121.500 123.323 -1.823 1 1 76 . 20 1 1 A 12 12 ASN H H 12 9.700 8.932 0.768 1 1 77 . 20 1 1 A 12 12 ASN HA H 12 4.760 4.917 -0.157 1 1 80 . 20 1 1 A 12 12 ASN C C 12 174.700 173.895 0.805 1 1 81 . 20 1 1 A 12 12 ASN CA C 12 54.100 52.761 1.339 1 1 82 . 20 1 1 A 12 12 ASN CB C 12 38.100 38.470 -0.370 1 1 83 . 20 1 1 A 12 12 ASN N N 12 121.500 124.599 -3.099 1 1 84 . 20 1 1 A 13 13 THR H H 13 8.710 8.535 0.175 1 1 85 . 20 1 1 A 13 13 THR HA H 13 4.760 4.989 -0.229 1 1 90 . 20 1 1 A 13 13 THR C C 13 173.600 174.060 -0.460 1 1 91 . 20 1 1 A 13 13 THR CA C 13 61.900 61.925 -0.025 1 1 92 . 20 1 1 A 13 13 THR CB C 13 71.500 70.838 0.662 1 1 94 . 20 1 1 A 13 13 THR N N 13 121.800 120.191 1.609 1 1 95 . 20 1 1 A 14 14 VAL H H 14 9.500 9.142 0.358 1 1 96 . 20 1 1 A 14 14 VAL HA H 14 4.660 3.941 0.719 1 1 104 . 20 1 1 A 14 14 VAL C C 14 177.000 176.860 0.140 1 1 105 . 20 1 1 A 14 14 VAL CA C 14 63.800 63.533 0.267 1 1 106 . 20 1 1 A 14 14 VAL CB C 14 30.600 31.567 -0.967 1 1 109 . 20 1 1 A 14 14 VAL N N 14 126.700 126.578 0.122 1 1 110 . 20 1 1 A 15 15 THR H H 15 8.900 8.919 -0.019 1 1 111 . 20 1 1 A 15 15 THR HA H 15 4.300 4.446 -0.146 1 1 116 . 20 1 1 A 15 15 THR C C 15 174.900 174.649 0.251 1 1 117 . 20 1 1 A 15 15 THR CA C 15 62.800 62.217 0.583 1 1 118 . 20 1 1 A 15 15 THR CB C 15 68.700 69.596 -0.896 1 1 120 . 20 1 1 A 15 15 THR N N 15 122.000 118.818 3.182 1 1 121 . 20 1 1 A 16 16 ALA H H 16 7.960 7.445 0.515 1 1 122 . 20 1 1 A 16 16 ALA HA H 16 4.360 4.826 -0.466 1 1 126 . 20 1 1 A 16 16 ALA C C 16 174.400 175.693 -1.293 1 1 127 . 20 1 1 A 16 16 ALA CA C 16 52.600 49.988 2.612 1 1 128 . 20 1 1 A 16 16 ALA CB C 16 21.900 21.798 0.102 1 1 129 . 20 1 1 A 16 16 ALA N N 16 120.900 123.083 -2.183 1 1 130 . 20 1 1 A 17 17 TYR H H 17 7.790 8.955 -1.165 1 1 131 . 20 1 1 A 17 17 TYR HA H 17 4.390 5.056 -0.666 1 1 136 . 20 1 1 A 17 17 TYR C C 17 173.000 175.865 -2.865 1 1 137 . 20 1 1 A 17 17 TYR CA C 17 56.400 56.303 0.097 1 1 138 . 20 1 1 A 17 17 TYR CB C 17 39.700 41.203 -1.503 1 1 141 . 20 1 1 A 17 17 TYR N N 17 114.800 121.253 -6.453 1 1 142 . 20 1 1 A 18 18 GLY H H 18 7.030 8.364 -1.334 1 1 143 . 20 1 1 A 18 18 GLY HA2 H 18 3.210 3.662 -0.452 1 1 144 . 20 1 1 A 18 18 GLY HA3 H 18 3.900 4.163 -0.263 1 1 145 . 20 1 1 A 18 18 GLY C C 18 172.200 173.359 -1.159 1 1 146 . 20 1 1 A 18 18 GLY CA C 18 44.900 45.413 -0.513 1 1 147 . 20 1 1 A 18 18 GLY N N 18 108.600 108.718 -0.118 1 1 148 . 20 1 1 A 19 19 ASP H H 19 8.410 8.902 -0.492 1 1 149 . 20 1 1 A 19 19 ASP HA H 19 4.320 4.689 -0.369 1 1 152 . 20 1 1 A 19 19 ASP C C 19 176.500 178.283 -1.783 1 1 153 . 20 1 1 A 19 19 ASP CA C 19 55.600 56.830 -1.230 1 1 154 . 20 1 1 A 19 19 ASP CB C 19 39.500 41.256 -1.756 1 1 155 . 20 1 1 A 19 19 ASP N N 19 120.400 119.577 0.823 1 1 156 . 20 1 1 A 20 20 GLY H H 20 8.670 8.097 0.573 1 1 157 . 20 1 1 A 20 20 GLY HA2 H 20 3.670 4.052 -0.382 1 1 158 . 20 1 1 A 20 20 GLY HA3 H 20 4.210 4.082 0.128 1 1 159 . 20 1 1 A 20 20 GLY C C 20 173.900 173.572 0.328 1 1 160 . 20 1 1 A 20 20 GLY CA C 20 45.800 45.388 0.412 1 1 161 . 20 1 1 A 20 20 GLY N N 20 113.500 106.953 6.547 1 1 162 . 20 1 1 A 21 21 TYR H H 21 7.530 7.668 -0.138 1 1 163 . 20 1 1 A 21 21 TYR HA H 21 5.480 5.319 0.161 1 1 168 . 20 1 1 A 21 21 TYR C C 21 172.800 173.186 -0.386 1 1 169 . 20 1 1 A 21 21 TYR CA C 21 56.700 56.019 0.681 1 1 170 . 20 1 1 A 21 21 TYR CB C 21 41.400 42.292 -0.892 1 1 173 . 20 1 1 A 21 21 TYR N N 21 114.300 117.451 -3.151 1 1 174 . 20 1 1 A 22 22 ILE H H 22 8.780 9.564 -0.784 1 1 175 . 20 1 1 A 22 22 ILE HA H 22 4.350 4.615 -0.265 1 1 185 . 20 1 1 A 22 22 ILE C C 22 173.800 174.613 -0.813 1 1 186 . 20 1 1 A 22 22 ILE CA C 22 60.200 60.436 -0.236 1 1 187 . 20 1 1 A 22 22 ILE CB C 22 41.700 40.673 1.027 1 1 191 . 20 1 1 A 22 22 ILE N N 22 119.300 121.642 -2.342 1 1 192 . 20 1 1 A 23 23 GLU H H 23 9.010 8.883 0.127 1 1 193 . 20 1 1 A 23 23 GLU HA H 23 5.680 5.113 0.567 1 1 198 . 20 1 1 A 23 23 GLU C C 23 175.000 175.347 -0.347 1 1 199 . 20 1 1 A 23 23 GLU CA C 23 54.300 55.398 -1.098 1 1 200 . 20 1 1 A 23 23 GLU CB C 23 33.500 30.963 2.537 1 1 202 . 20 1 1 A 23 23 GLU N N 23 127.800 127.983 -0.183 1 1 203 . 20 1 1 A 24 24 VAL H H 24 8.980 8.838 0.142 1 1 204 . 20 1 1 A 24 24 VAL HA H 24 4.840 4.444 0.396 1 1 212 . 20 1 1 A 24 24 VAL C C 24 177.300 176.064 1.236 1 1 213 . 20 1 1 A 24 24 VAL CA C 24 60.600 60.889 -0.289 1 1 214 . 20 1 1 A 24 24 VAL CB C 24 33.600 33.255 0.345 1 1 217 . 20 1 1 A 24 24 VAL N N 24 125.400 128.168 -2.768 1 1 218 . 20 1 1 A 25 25 ASN H H 25 9.340 8.884 0.456 1 1 219 . 20 1 1 A 25 25 ASN HA H 25 4.340 4.349 -0.009 1 1 222 . 20 1 1 A 25 25 ASN C C 25 173.800 174.908 -1.108 1 1 223 . 20 1 1 A 25 25 ASN CA C 25 54.600 55.478 -0.878 1 1 224 . 20 1 1 A 25 25 ASN CB C 25 36.600 37.158 -0.558 1 1 225 . 20 1 1 A 25 25 ASN N N 25 127.800 121.689 6.111 1 1 226 . 20 1 1 A 26 26 GLN H H 26 7.920 8.186 -0.266 1 1 227 . 20 1 1 A 26 26 GLN HA H 26 3.670 4.411 -0.741 1 1 232 . 20 1 1 A 26 26 GLN C C 26 174.400 174.289 0.111 1 1 233 . 20 1 1 A 26 26 GLN CA C 26 58.100 55.272 2.828 1 1 234 . 20 1 1 A 26 26 GLN CB C 26 26.500 30.175 -3.675 1 1 236 . 20 1 1 A 26 26 GLN N N 26 104.100 120.334 -16.234 1 1 237 . 20 1 1 A 27 27 VAL H H 27 7.850 7.657 0.193 1 1 238 . 20 1 1 A 27 27 VAL HA H 27 3.900 4.319 -0.419 1 1 246 . 20 1 1 A 27 27 VAL C C 27 174.200 174.905 -0.705 1 1 247 . 20 1 1 A 27 27 VAL CA C 27 62.100 61.111 0.989 1 1 248 . 20 1 1 A 27 27 VAL CB C 27 32.500 33.735 -1.235 1 1 251 . 20 1 1 A 27 27 VAL N N 27 123.100 120.210 2.890 1 1 252 . 20 1 1 A 28 28 ARG H H 28 8.430 8.602 -0.172 1 1 253 . 20 1 1 A 28 28 ARG HA H 28 4.320 4.758 -0.438 1 1 256 . 20 1 1 A 28 28 ARG C C 28 175.200 175.108 0.092 1 1 257 . 20 1 1 A 28 28 ARG CA C 28 57.100 55.288 1.812 1 1 258 . 20 1 1 A 28 28 ARG CB C 28 31.300 31.023 0.277 1 1 259 . 20 1 1 A 28 28 ARG N N 28 126.200 127.290 -1.090 1 1 260 . 20 1 1 A 29 29 PHE H H 29 9.290 9.151 0.139 1 1 261 . 20 1 1 A 29 29 PHE HA H 29 4.580 4.891 -0.311 1 1 266 . 20 1 1 A 29 29 PHE C C 29 175.800 175.356 0.444 1 1 267 . 20 1 1 A 29 29 PHE CA C 29 57.700 56.375 1.325 1 1 268 . 20 1 1 A 29 29 PHE CB C 29 42.000 39.142 2.858 1 1 271 . 20 1 1 A 29 29 PHE N N 29 123.900 124.020 -0.120 1 1 272 . 20 1 1 A 30 30 SER H H 30 8.950 9.022 -0.072 1 1 273 . 20 1 1 A 30 30 SER HA H 30 5.130 5.015 0.115 1 1 276 . 20 1 1 A 30 30 SER C C 30 172.900 173.428 -0.528 1 1 277 . 20 1 1 A 30 30 SER CA C 30 57.000 58.337 -1.337 1 1 278 . 20 1 1 A 30 30 SER CB C 30 63.200 63.392 -0.192 1 1 279 . 20 1 1 A 30 30 SER N N 30 119.400 121.176 -1.776 1 1 280 . 20 1 1 A 31 31 HIS H H 31 7.170 7.838 -0.668 1 1 281 . 20 1 1 A 31 31 HIS HA H 31 4.840 5.014 -0.174 1 1 284 . 20 1 1 A 31 31 HIS C C 31 171.900 174.733 -2.833 1 1 285 . 20 1 1 A 31 31 HIS CA C 31 53.200 54.799 -1.599 1 1 286 . 20 1 1 A 31 31 HIS CB C 31 31.100 33.818 -2.718 1 1 287 . 20 1 1 A 31 31 HIS N N 31 114.600 119.991 -5.391 1 1 288 . 20 1 1 A 32 32 ALA H H 32 8.930 8.512 0.418 1 1 289 . 20 1 1 A 32 32 ALA HA H 32 5.050 4.877 0.173 1 1 293 . 20 1 1 A 32 32 ALA C C 32 179.000 177.233 1.767 1 1 294 . 20 1 1 A 32 32 ALA CA C 32 53.700 51.345 2.355 1 1 295 . 20 1 1 A 32 32 ALA CB C 32 20.700 19.828 0.872 1 1 296 . 20 1 1 A 32 32 ALA N N 32 120.200 123.302 -3.102 1 1 297 . 20 1 1 A 33 33 ILE H H 33 8.280 8.684 -0.404 1 1 298 . 20 1 1 A 33 33 ILE HA H 33 5.520 4.983 0.537 1 1 308 . 20 1 1 A 33 33 ILE C C 33 173.400 174.074 -0.674 1 1 309 . 20 1 1 A 33 33 ILE CA C 33 59.500 59.322 0.178 1 1 310 . 20 1 1 A 33 33 ILE CB C 33 44.500 40.509 3.991 1 1 313 . 20 1 1 A 33 33 ILE N N 33 115.800 119.547 -3.747 1 1 314 . 20 1 1 A 34 34 ALA H H 34 8.900 9.203 -0.303 1 1 315 . 20 1 1 A 34 34 ALA HA H 34 5.290 5.749 -0.459 1 1 319 . 20 1 1 A 34 34 ALA C C 34 176.100 176.263 -0.163 1 1 320 . 20 1 1 A 34 34 ALA CA C 34 51.100 49.841 1.259 1 1 321 . 20 1 1 A 34 34 ALA CB C 34 21.900 21.116 0.784 1 1 322 . 20 1 1 A 34 34 ALA N N 34 121.600 127.403 -5.803 1 1 323 . 20 1 1 A 35 35 PHE H H 35 8.580 8.283 0.297 1 1 324 . 20 1 1 A 35 35 PHE HA H 35 4.740 5.240 -0.500 1 1 330 . 20 1 1 A 35 35 PHE C C 35 170.000 172.641 -2.641 1 1 331 . 20 1 1 A 35 35 PHE CA C 35 57.100 55.712 1.388 1 1 332 . 20 1 1 A 35 35 PHE CB C 35 39.700 41.982 -2.282 1 1 336 . 20 1 1 A 35 35 PHE N N 35 116.600 117.871 -1.271 1 1 337 . 20 1 1 A 36 36 ALA H H 36 8.730 8.813 -0.083 1 1 338 . 20 1 1 A 36 36 ALA HA H 36 5.170 5.248 -0.078 1 1 342 . 20 1 1 A 36 36 ALA CA C 36 49.100 49.760 -0.660 1 1 343 . 20 1 1 A 36 36 ALA CB C 36 20.500 21.955 -1.455 1 1 344 . 20 1 1 A 36 36 ALA N N 36 123.400 122.205 1.195 1 1 345 . 20 1 1 A 37 37 PRO HA H 37 4.740 4.512 0.228 1 1 350 . 20 1 1 A 37 37 PRO C C 37 176.500 176.293 0.207 1 1 351 . 20 1 1 A 37 37 PRO CA C 37 66.200 64.548 1.652 1 1 352 . 20 1 1 A 37 37 PRO CB C 37 33.600 32.152 1.448 1 1 354 . 20 1 1 A 38 38 GLU H H 38 7.450 7.901 -0.451 1 1 355 . 20 1 1 A 38 38 GLU HA H 38 4.790 4.962 -0.172 1 1 360 . 20 1 1 A 38 38 GLU C C 38 177.300 175.204 2.096 1 1 361 . 20 1 1 A 38 38 GLU CA C 38 54.200 55.332 -1.132 1 1 362 . 20 1 1 A 38 38 GLU CB C 38 32.600 31.753 0.847 1 1 364 . 20 1 1 A 38 38 GLU N N 38 110.100 116.608 -6.508 1 1 365 . 20 1 1 A 39 39 GLY H H 39 8.600 8.314 0.286 1 1 366 . 20 1 1 A 39 39 GLY HA2 H 39 3.920 4.102 -0.182 1 1 367 . 20 1 1 A 39 39 GLY HA3 H 39 4.440 4.107 0.333 1 1 368 . 20 1 1 A 39 39 GLY CA C 39 44.400 44.224 0.176 1 1 369 . 20 1 1 A 39 39 GLY N N 39 109.500 112.941 -3.441 1 1 370 . 20 1 1 A 40 40 PRO HA H 40 4.550 4.652 -0.102 1 1 375 . 20 1 1 A 40 40 PRO C C 40 177.100 175.315 1.785 1 1 376 . 20 1 1 A 40 40 PRO CA C 40 62.500 62.387 0.113 1 1 377 . 20 1 1 A 40 40 PRO CB C 40 32.700 33.303 -0.603 1 1 378 . 20 1 1 A 41 41 VAL H H 41 8.530 8.390 0.140 1 1 379 . 20 1 1 A 41 41 VAL HA H 41 3.900 4.483 -0.583 1 1 387 . 20 1 1 A 41 41 VAL C C 41 175.200 174.659 0.541 1 1 388 . 20 1 1 A 41 41 VAL CA C 41 63.000 60.883 2.117 1 1 389 . 20 1 1 A 41 41 VAL CB C 41 31.100 33.502 -2.402 1 1 392 . 20 1 1 A 41 41 VAL N N 41 123.000 119.058 3.942 1 1 393 . 20 1 1 A 42 42 ALA H H 42 8.320 9.461 -1.141 1 1 394 . 20 1 1 A 42 42 ALA HA H 42 4.750 5.186 -0.436 1 1 398 . 20 1 1 A 42 42 ALA C C 42 177.400 176.137 1.263 1 1 399 . 20 1 1 A 42 42 ALA CA C 42 50.800 50.292 0.508 1 1 400 . 20 1 1 A 42 42 ALA CB C 42 21.400 20.628 0.772 1 1 401 . 20 1 1 A 42 42 ALA N N 42 131.300 130.830 0.470 1 1 402 . 20 1 1 A 43 43 SER H H 43 8.660 8.976 -0.316 1 1 403 . 20 1 1 A 43 43 SER HA H 43 4.690 5.176 -0.486 1 1 406 . 20 1 1 A 43 43 SER CA C 43 59.000 57.383 1.617 1 1 407 . 20 1 1 A 43 43 SER CB C 43 62.800 64.284 -1.484 1 1 408 . 20 1 1 A 43 43 SER N N 43 115.400 118.739 -3.339 1 1 409 . 20 1 1 A 44 44 TRP HA H 44 5.470 4.919 0.551 1 1 418 . 20 1 1 A 44 44 TRP CA C 44 52.200 55.531 -3.331 1 1 419 . 20 1 1 A 44 44 TRP CB C 44 31.000 30.528 0.472 1 1 426 . 20 1 1 A 45 45 PRO HA H 45 4.550 4.541 0.009 1 1 431 . 20 1 1 A 45 45 PRO C C 45 173.000 176.254 -3.254 1 1 432 . 20 1 1 A 45 45 PRO CA C 45 63.300 63.772 -0.472 1 1 433 . 20 1 1 A 45 45 PRO CB C 45 27.800 32.608 -4.808 1 1 435 . 20 1 1 A 46 46 VAL H H 46 8.390 7.838 0.552 1 1 436 . 20 1 1 A 46 46 VAL HA H 46 3.770 4.137 -0.367 1 1 444 . 20 1 1 A 46 46 VAL C C 46 174.100 175.825 -1.725 1 1 445 . 20 1 1 A 46 46 VAL CA C 46 61.100 61.807 -0.707 1 1 446 . 20 1 1 A 46 46 VAL CB C 46 35.200 31.575 3.625 1 1 449 . 20 1 1 A 46 46 VAL N N 46 124.300 121.073 3.227 1 1 450 . 20 1 1 A 47 47 GLN H H 47 8.970 8.782 0.188 1 1 451 . 20 1 1 A 47 47 GLN HA H 47 4.430 4.726 -0.296 1 1 456 . 20 1 1 A 47 47 GLN C C 47 175.100 175.098 0.002 1 1 457 . 20 1 1 A 47 47 GLN CA C 47 56.400 55.564 0.836 1 1 458 . 20 1 1 A 47 47 GLN CB C 47 30.900 29.366 1.534 1 1 459 . 20 1 1 A 47 47 GLN N N 47 122.000 126.083 -4.083 1 1 460 . 20 1 1 A 48 48 ARG H H 48 7.720 7.606 0.114 1 1 461 . 20 1 1 A 48 48 ARG HA H 48 4.750 4.816 -0.066 1 1 468 . 20 1 1 A 48 48 ARG CA C 48 52.800 52.192 0.608 1 1 469 . 20 1 1 A 48 48 ARG CB C 48 30.500 32.649 -2.149 1 1 471 . 20 1 1 A 48 48 ARG N N 48 116.600 119.941 -3.341 1 1 472 . 20 1 1 A 49 49 PRO HA H 49 3.750 4.454 -0.704 1 1 477 . 20 1 1 A 49 49 PRO C C 49 177.500 177.409 0.091 1 1 478 . 20 1 1 A 49 49 PRO CA C 49 65.400 64.351 1.049 1 1 479 . 20 1 1 A 49 49 PRO CB C 49 30.700 31.912 -1.212 1 1 481 . 20 1 1 A 50 50 ALA H H 50 7.960 8.287 -0.327 1 1 482 . 20 1 1 A 50 50 ALA HA H 50 4.010 4.133 -0.123 1 1 486 . 20 1 1 A 50 50 ALA C C 50 177.300 177.610 -0.310 1 1 487 . 20 1 1 A 50 50 ALA CA C 50 53.800 53.261 0.539 1 1 488 . 20 1 1 A 50 50 ALA CB C 50 18.500 18.942 -0.442 1 1 489 . 20 1 1 A 50 50 ALA N N 50 117.200 120.281 -3.081 1 1 490 . 20 1 1 A 51 51 ASP H H 51 7.570 7.839 -0.269 1 1 491 . 20 1 1 A 51 51 ASP HA H 51 4.410 4.524 -0.114 1 1 494 . 20 1 1 A 51 51 ASP C C 51 176.000 176.477 -0.477 1 1 495 . 20 1 1 A 51 51 ASP CA C 51 54.200 54.202 -0.002 1 1 496 . 20 1 1 A 51 51 ASP CB C 51 41.900 41.520 0.380 1 1 497 . 20 1 1 A 51 51 ASP N N 51 114.800 117.075 -2.275 1 1 498 . 20 1 1 A 52 52 ILE H H 52 7.290 7.132 0.158 1 1 499 . 20 1 1 A 52 52 ILE HA H 52 3.100 3.867 -0.767 1 1 509 . 20 1 1 A 52 52 ILE C C 52 174.800 175.876 -1.076 1 1 510 . 20 1 1 A 52 52 ILE CA C 52 65.100 62.548 2.552 1 1 511 . 20 1 1 A 52 52 ILE CB C 52 37.100 37.695 -0.595 1 1 515 . 20 1 1 A 52 52 ILE N N 52 117.700 121.891 -4.191 1 1 516 . 20 1 1 A 53 53 THR H H 53 6.560 8.718 -2.158 1 1 517 . 20 1 1 A 53 53 THR HA H 53 4.720 4.827 -0.107 1 1 522 . 20 1 1 A 53 53 THR C C 53 174.600 175.008 -0.408 1 1 523 . 20 1 1 A 53 53 THR CA C 53 58.500 60.912 -2.412 1 1 524 . 20 1 1 A 53 53 THR CB C 53 72.900 72.256 0.644 1 1 526 . 20 1 1 A 53 53 THR N N 53 117.300 122.499 -5.199 1 1 527 . 20 1 1 A 54 54 ALA H H 54 9.340 9.145 0.195 1 1 528 . 20 1 1 A 54 54 ALA HA H 54 4.460 4.093 0.367 1 1 532 . 20 1 1 A 54 54 ALA C C 54 167.400 179.911 -12.511 1 1 533 . 20 1 1 A 54 54 ALA CA C 54 55.800 55.907 -0.107 1 1 534 . 20 1 1 A 54 54 ALA CB C 54 18.200 18.276 -0.076 1 1 535 . 20 1 1 A 54 54 ALA N N 54 123.800 125.847 -2.047 1 1 536 . 20 1 1 A 55 55 SER H H 55 8.530 8.138 0.392 1 1 537 . 20 1 1 A 55 55 SER HA H 55 4.280 4.137 0.143 1 1 541 . 20 1 1 A 55 55 SER C C 55 177.700 176.339 1.361 1 1 542 . 20 1 1 A 55 55 SER CA C 55 61.600 62.001 -0.401 1 1 543 . 20 1 1 A 55 55 SER CB C 55 62.600 62.792 -0.192 1 1 544 . 20 1 1 A 55 55 SER N N 55 112.600 113.729 -1.129 1 1 545 . 20 1 1 A 56 56 LEU H H 56 7.810 8.125 -0.315 1 1 546 . 20 1 1 A 56 56 LEU HA H 56 4.280 3.901 0.379 1 1 556 . 20 1 1 A 56 56 LEU C C 56 168.100 179.339 -11.239 1 1 557 . 20 1 1 A 56 56 LEU CA C 56 57.900 57.891 0.009 1 1 558 . 20 1 1 A 56 56 LEU CB C 56 42.100 41.317 0.783 1 1 562 . 20 1 1 A 56 56 LEU N N 56 122.500 121.192 1.308 1 1 563 . 20 1 1 A 57 57 LEU H H 57 8.490 8.127 0.363 1 1 564 . 20 1 1 A 57 57 LEU HA H 57 4.180 4.161 0.019 1 1 574 . 20 1 1 A 57 57 LEU C C 57 178.000 179.406 -1.406 1 1 575 . 20 1 1 A 57 57 LEU CA C 57 58.300 58.165 0.135 1 1 576 . 20 1 1 A 57 57 LEU CB C 57 41.200 41.000 0.200 1 1 580 . 20 1 1 A 57 57 LEU N N 57 123.900 118.844 5.056 1 1 581 . 20 1 1 A 58 58 GLN H H 58 8.500 8.576 -0.076 1 1 582 . 20 1 1 A 58 58 GLN HA H 58 3.680 3.960 -0.280 1 1 589 . 20 1 1 A 58 58 GLN C C 58 178.200 178.365 -0.165 1 1 590 . 20 1 1 A 58 58 GLN CA C 58 60.200 59.174 1.026 1 1 591 . 20 1 1 A 58 58 GLN CB C 58 28.500 28.236 0.264 1 1 593 . 20 1 1 A 58 58 GLN N N 58 118.800 119.118 -0.318 1 1 595 . 20 1 1 A 59 59 GLN H H 59 8.300 7.763 0.537 1 1 596 . 20 1 1 A 59 59 GLN HA H 59 4.090 4.095 -0.005 1 1 601 . 20 1 1 A 59 59 GLN C C 59 179.900 178.186 1.714 1 1 602 . 20 1 1 A 59 59 GLN CA C 59 58.900 58.814 0.086 1 1 603 . 20 1 1 A 59 59 GLN CB C 59 28.800 28.436 0.364 1 1 605 . 20 1 1 A 59 59 GLN N N 59 118.600 118.317 0.283 1 1 606 . 20 1 1 A 60 60 ALA H H 60 7.850 8.073 -0.223 1 1 607 . 20 1 1 A 60 60 ALA HA H 60 3.580 4.254 -0.674 1 1 611 . 20 1 1 A 60 60 ALA C C 60 176.700 178.147 -1.447 1 1 612 . 20 1 1 A 60 60 ALA CA C 60 54.700 53.157 1.543 1 1 613 . 20 1 1 A 60 60 ALA CB C 60 17.400 18.497 -1.097 1 1 614 . 20 1 1 A 60 60 ALA N N 60 122.500 121.712 0.788 1 1 615 . 20 1 1 A 61 61 ALA H H 61 7.540 7.392 0.148 1 1 616 . 20 1 1 A 61 61 ALA HA H 61 3.970 4.309 -0.339 1 1 620 . 20 1 1 A 61 61 ALA C C 61 176.300 177.813 -1.513 1 1 621 . 20 1 1 A 61 61 ALA CA C 61 52.400 51.977 0.423 1 1 622 . 20 1 1 A 61 61 ALA CB C 61 19.100 19.282 -0.182 1 1 623 . 20 1 1 A 61 61 ALA N N 61 113.700 119.757 -6.057 1 1 624 . 20 1 1 A 62 62 GLY H H 62 7.600 7.415 0.185 1 1 625 . 20 1 1 A 62 62 GLY HA2 H 62 3.890 3.974 -0.084 1 1 626 . 20 1 1 A 62 62 GLY HA3 H 62 3.980 3.982 -0.002 1 1 627 . 20 1 1 A 62 62 GLY C C 62 175.400 175.251 0.149 1 1 628 . 20 1 1 A 62 62 GLY CA C 62 45.800 46.433 -0.633 1 1 629 . 20 1 1 A 62 62 GLY N N 62 104.800 106.686 -1.886 1 1 630 . 20 1 1 A 63 63 LEU H H 63 7.770 8.014 -0.244 1 1 631 . 20 1 1 A 63 63 LEU HA H 63 4.430 4.414 0.016 1 1 640 . 20 1 1 A 63 63 LEU C C 63 176.400 176.537 -0.137 1 1 641 . 20 1 1 A 63 63 LEU CA C 63 54.000 54.727 -0.727 1 1 642 . 20 1 1 A 63 63 LEU CB C 63 42.500 41.128 1.372 1 1 645 . 20 1 1 A 63 63 LEU N N 63 119.100 117.414 1.686 1 1 646 . 20 1 1 A 64 64 ALA H H 64 8.060 7.794 0.266 1 1 647 . 20 1 1 A 64 64 ALA HA H 64 4.160 4.406 -0.246 1 1 651 . 20 1 1 A 64 64 ALA C C 64 177.300 176.385 0.915 1 1 652 . 20 1 1 A 64 64 ALA CA C 64 52.700 51.343 1.357 1 1 653 . 20 1 1 A 64 64 ALA CB C 64 19.700 18.007 1.693 1 1 654 . 20 1 1 A 64 64 ALA N N 64 122.900 123.775 -0.875 1 1 655 . 20 1 1 A 65 65 GLU H H 65 8.260 8.720 -0.460 1 1 656 . 20 1 1 A 65 65 GLU C C 65 176.300 175.325 0.975 1 1 657 . 20 1 1 A 65 65 GLU CA C 65 56.400 56.295 0.105 1 1 658 . 20 1 1 A 65 65 GLU CB C 65 30.100 30.265 -0.165 1 1 659 . 20 1 1 A 65 65 GLU N N 65 118.900 125.240 -6.340 1 1 660 . 20 1 1 A 66 66 VAL H H 66 7.960 8.734 -0.774 1 1 661 . 20 1 1 A 66 66 VAL HA H 66 4.020 4.967 -0.947 1 1 663 . 20 1 1 A 66 66 VAL C C 66 175.900 174.839 1.061 1 1 664 . 20 1 1 A 66 66 VAL CA C 66 62.300 59.759 2.541 1 1 665 . 20 1 1 A 66 66 VAL CB C 66 32.800 35.182 -2.382 1 1 666 . 20 1 1 A 66 66 VAL N N 66 121.500 126.834 -5.334 1 1 667 . 20 1 1 A 67 67 VAL H H 67 8.210 8.787 -0.577 1 1 668 . 20 1 1 A 67 67 VAL C C 67 175.800 176.416 -0.616 1 1 669 . 20 1 1 A 67 67 VAL CA C 67 62.200 63.258 -1.058 1 1 670 . 20 1 1 A 67 67 VAL CB C 67 32.600 32.176 0.424 1 1 671 . 20 1 1 A 67 67 VAL N N 67 124.900 127.460 -2.560 1 1 672 . 20 1 1 A 68 68 ARG H H 68 8.380 8.968 -0.588 1 1 673 . 20 1 1 A 68 68 ARG HA H 68 4.270 4.407 -0.137 1 1 674 . 20 1 1 A 68 68 ARG C C 68 175.400 175.156 0.244 1 1 675 . 20 1 1 A 68 68 ARG CA C 68 55.700 55.743 -0.043 1 1 676 . 20 1 1 A 68 68 ARG CB C 68 31.100 29.813 1.287 1 1 677 . 20 1 1 A 68 68 ARG N N 68 125.900 124.109 1.791 1 1 678 . 20 1 1 A 69 69 ASP H H 69 8.390 8.189 0.201 1 1 679 . 20 1 1 A 69 69 ASP HA H 69 4.800 4.324 0.476 1 1 682 . 20 1 1 A 69 69 ASP CA C 69 51.700 54.883 -3.183 1 1 683 . 20 1 1 A 69 69 ASP CB C 69 41.700 39.278 2.422 1 1 684 . 20 1 1 A 69 69 ASP N N 69 123.600 118.562 5.038 1 1 685 . 20 1 1 A 70 70 PRO HA H 70 4.290 4.694 -0.404 1 1 688 . 20 1 1 A 70 70 PRO C C 70 177.500 176.528 0.972 1 1 689 . 20 1 1 A 70 70 PRO CA C 70 64.100 62.248 1.852 1 1 690 . 20 1 1 A 70 70 PRO CB C 70 32.300 29.476 2.824 1 1 691 . 20 1 1 A 71 71 LEU H H 71 8.280 8.374 -0.094 1 1 692 . 20 1 1 A 71 71 LEU HA H 71 4.260 4.326 -0.066 1 1 698 . 20 1 1 A 71 71 LEU C C 71 177.600 177.923 -0.323 1 1 699 . 20 1 1 A 71 71 LEU CA C 71 55.100 55.579 -0.479 1 1 700 . 20 1 1 A 71 71 LEU CB C 71 41.200 42.245 -1.045 1 1 702 . 20 1 1 A 71 71 LEU N N 71 118.400 122.091 -3.691 1 1 703 . 20 1 1 A 72 72 ALA H H 72 7.660 7.893 -0.233 1 1 704 . 20 1 1 A 72 72 ALA HA H 72 4.170 3.823 0.347 1 1 708 . 20 1 1 A 72 72 ALA C C 72 177.400 178.511 -1.111 1 1 709 . 20 1 1 A 72 72 ALA CA C 72 52.600 54.992 -2.392 1 1 710 . 20 1 1 A 72 72 ALA CB C 72 19.200 18.585 0.615 1 1 711 . 20 1 1 A 72 72 ALA N N 72 122.900 122.421 0.479 1 1 712 . 20 1 1 A 73 73 PHE H H 73 7.940 7.895 0.045 1 1 713 . 20 1 1 A 73 73 PHE HA H 73 4.510 4.635 -0.125 1 1 717 . 20 1 1 A 73 73 PHE C C 73 175.600 175.423 0.177 1 1 718 . 20 1 1 A 73 73 PHE CA C 73 57.800 59.141 -1.341 1 1 719 . 20 1 1 A 73 73 PHE CB C 73 39.100 40.671 -1.571 1 1 720 . 20 1 1 A 73 73 PHE N N 73 118.200 112.576 5.624 1 1 721 . 20 1 1 A 74 74 LEU H H 74 7.890 7.750 0.140 1 1 722 . 20 1 1 A 74 74 LEU CA C 74 55.200 54.820 0.380 1 1 723 . 20 1 1 A 74 74 LEU CB C 74 42.400 45.135 -2.735 1 1 724 . 20 1 1 A 74 74 LEU N N 74 122.600 117.897 4.703 1 1 725 . 20 1 1 A 78 78 GLU C C 78 176.600 177.865 -1.265 1 1 726 . 20 1 1 A 78 78 GLU CA C 78 57.500 59.888 -2.388 1 1 727 . 20 1 1 A 78 78 GLU CB C 78 30.100 29.436 0.664 1 1 728 . 20 1 1 A 79 79 ALA H H 79 8.460 7.872 0.588 1 1 729 . 20 1 1 A 79 79 ALA C C 79 178.300 177.944 0.356 1 1 730 . 20 1 1 A 79 79 ALA CA C 79 52.900 51.437 1.463 1 1 731 . 20 1 1 A 79 79 ALA CB C 79 19.200 17.777 1.423 1 1 732 . 20 1 1 A 79 79 ALA N N 79 124.700 121.475 3.225 1 1 733 . 20 1 1 A 80 80 GLY H H 80 8.330 8.511 -0.181 1 1 734 . 20 1 1 A 80 80 GLY C C 80 174.100 173.687 0.413 1 1 735 . 20 1 1 A 80 80 GLY CA C 80 45.100 45.885 -0.785 1 1 736 . 20 1 1 A 80 80 GLY N N 80 108.200 110.751 -2.551 1 1 737 . 20 1 1 A 81 81 ALA H H 81 8.140 7.576 0.564 1 1 738 . 20 1 1 A 81 81 ALA HA H 81 4.170 4.106 0.064 1 1 739 . 20 1 1 A 81 81 ALA C C 81 178.400 178.022 0.378 1 1 740 . 20 1 1 A 81 81 ALA CA C 81 52.800 53.736 -0.936 1 1 741 . 20 1 1 A 81 81 ALA CB C 81 19.200 18.502 0.698 1 1 742 . 20 1 1 A 81 81 ALA N N 81 123.600 122.656 0.944 1 1 743 . 20 1 1 A 82 82 GLY H H 82 8.400 8.826 -0.426 1 1 744 . 20 1 1 A 82 82 GLY HA2 H 82 3.860 4.016 -0.156 1 1 745 . 20 1 1 A 82 82 GLY HA3 H 82 2.880 4.016 -1.136 1 1 746 . 20 1 1 A 82 82 GLY C C 82 173.600 173.662 -0.062 1 1 747 . 20 1 1 A 82 82 GLY CA C 82 45.200 45.147 0.053 1 1 748 . 20 1 1 A 82 82 GLY N N 82 108.000 111.456 -3.456 1 1 749 . 20 1 1 A 83 83 ALA H H 83 7.980 7.513 0.467 1 1 750 . 20 1 1 A 83 83 ALA HA H 83 4.280 4.492 -0.212 1 1 754 . 20 1 1 A 83 83 ALA C C 83 177.200 175.742 1.458 1 1 755 . 20 1 1 A 83 83 ALA CA C 83 52.100 50.612 1.488 1 1 756 . 20 1 1 A 83 83 ALA CB C 83 19.500 20.954 -1.454 1 1 757 . 20 1 1 A 83 83 ALA N N 83 123.300 122.960 0.340 1 1 758 . 20 1 1 A 84 84 ARG H H 84 8.240 8.692 -0.452 1 1 759 . 20 1 1 A 84 84 ARG HA H 84 4.610 4.788 -0.178 1 1 762 . 20 1 1 A 84 84 ARG CA C 84 54.000 52.710 1.290 1 1 763 . 20 1 1 A 84 84 ARG CB C 84 30.500 31.455 -0.955 1 1 764 . 20 1 1 A 84 84 ARG N N 84 121.700 122.797 -1.097 1 1 765 . 20 1 1 A 85 85 PRO HA H 85 4.390 4.354 0.036 1 1 770 . 20 1 1 A 85 85 PRO C C 85 177.000 177.743 -0.743 1 1 771 . 20 1 1 A 85 85 PRO CA C 85 62.900 64.898 -1.998 1 1 772 . 20 1 1 A 85 85 PRO CB C 85 32.200 31.973 0.227 1 1 773 . 20 1 1 A 86 86 ALA H H 86 8.600 8.230 0.370 1 1 774 . 20 1 1 A 86 86 ALA HA H 86 4.150 4.508 -0.358 1 1 778 . 20 1 1 A 86 86 ALA C C 86 177.800 177.674 0.126 1 1 779 . 20 1 1 A 86 86 ALA CA C 86 53.400 52.068 1.332 1 1 780 . 20 1 1 A 86 86 ALA CB C 86 18.900 18.694 0.206 1 1 781 . 20 1 1 A 86 86 ALA N N 86 124.900 119.730 5.170 1 1 782 . 20 1 1 A 87 87 ASN H H 87 8.380 7.973 0.407 1 1 783 . 20 1 1 A 87 87 ASN HA H 87 4.590 4.451 0.139 1 1 786 . 20 1 1 A 87 87 ASN C C 87 174.400 175.006 -0.606 1 1 787 . 20 1 1 A 87 87 ASN CA C 87 52.600 56.098 -3.498 1 1 788 . 20 1 1 A 87 87 ASN CB C 87 38.300 38.431 -0.131 1 1 789 . 20 1 1 A 87 87 ASN N N 87 114.900 117.019 -2.119 1 1 790 . 20 1 1 A 88 88 ALA H H 88 7.800 7.821 -0.021 1 1 791 . 20 1 1 A 88 88 ALA HA H 88 4.400 4.271 0.129 1 1 795 . 20 1 1 A 88 88 ALA CA C 88 50.400 54.030 -3.630 1 1 796 . 20 1 1 A 88 88 ALA CB C 88 17.900 18.185 -0.285 1 1 797 . 20 1 1 A 88 88 ALA N N 88 123.600 120.463 3.137 1 1 798 . 20 1 1 A 89 89 PRO HA H 89 4.390 4.571 -0.181 1 1 805 . 20 1 1 A 89 89 PRO C C 89 175.000 176.504 -1.504 1 1 806 . 20 1 1 A 89 89 PRO CA C 89 62.400 62.734 -0.334 1 1 807 . 20 1 1 A 89 89 PRO CB C 89 31.700 32.550 -0.850 1 1 810 . 20 1 1 A 90 90 GLU H H 90 9.000 9.460 -0.460 1 1 811 . 20 1 1 A 90 90 GLU HA H 90 4.310 4.356 -0.046 1 1 814 . 20 1 1 A 90 90 GLU C C 90 177.300 176.477 0.823 1 1 815 . 20 1 1 A 90 90 GLU CA C 90 58.000 58.557 -0.557 1 1 816 . 20 1 1 A 90 90 GLU CB C 90 31.400 31.661 -0.261 1 1 817 . 20 1 1 A 90 90 GLU N N 90 117.700 119.172 -1.472 1 1 818 . 20 1 1 A 91 91 VAL H H 91 7.310 7.384 -0.074 1 1 819 . 20 1 1 A 91 91 VAL HA H 91 4.570 4.832 -0.262 1 1 827 . 20 1 1 A 91 91 VAL C C 91 171.000 173.140 -2.140 1 1 828 . 20 1 1 A 91 91 VAL CA C 91 59.700 60.031 -0.331 1 1 829 . 20 1 1 A 91 91 VAL CB C 91 35.600 35.384 0.216 1 1 832 . 20 1 1 A 91 91 VAL N N 91 115.900 116.480 -0.580 1 1 833 . 20 1 1 A 92 92 LEU H H 92 8.700 9.625 -0.925 1 1 834 . 20 1 1 A 92 92 LEU HA H 92 4.950 5.372 -0.422 1 1 844 . 20 1 1 A 92 92 LEU C C 92 174.300 174.609 -0.309 1 1 845 . 20 1 1 A 92 92 LEU CA C 92 52.700 53.293 -0.593 1 1 846 . 20 1 1 A 92 92 LEU CB C 92 44.100 44.924 -0.824 1 1 850 . 20 1 1 A 92 92 LEU N N 92 128.500 129.805 -1.305 1 1 851 . 20 1 1 A 93 93 LEU H H 93 8.770 9.627 -0.857 1 1 852 . 20 1 1 A 93 93 LEU HA H 93 4.910 5.238 -0.328 1 1 862 . 20 1 1 A 93 93 LEU C C 93 174.900 175.522 -0.622 1 1 863 . 20 1 1 A 93 93 LEU CA C 93 52.600 53.338 -0.738 1 1 864 . 20 1 1 A 93 93 LEU CB C 93 44.300 42.355 1.945 1 1 868 . 20 1 1 A 93 93 LEU N N 93 127.300 128.588 -1.288 1 1 869 . 20 1 1 A 94 94 VAL H H 94 8.800 9.450 -0.650 1 1 870 . 20 1 1 A 94 94 VAL HA H 94 4.880 4.573 0.307 1 1 878 . 20 1 1 A 94 94 VAL C C 94 175.000 175.115 -0.115 1 1 879 . 20 1 1 A 94 94 VAL CA C 94 60.000 60.915 -0.915 1 1 880 . 20 1 1 A 94 94 VAL CB C 94 33.900 33.082 0.818 1 1 883 . 20 1 1 A 94 94 VAL N N 94 122.000 126.003 -4.003 1 1 884 . 20 1 1 A 95 95 GLY H H 95 9.730 9.492 0.238 1 1 885 . 20 1 1 A 95 95 GLY HA2 H 95 3.240 3.961 -0.721 1 1 886 . 20 1 1 A 95 95 GLY HA3 H 95 4.940 3.980 0.960 1 1 887 . 20 1 1 A 95 95 GLY C C 95 175.000 174.197 0.803 1 1 888 . 20 1 1 A 95 95 GLY CA C 95 45.500 46.270 -0.770 1 1 889 . 20 1 1 A 95 95 GLY N N 95 114.000 115.918 -1.918 1 1 890 . 20 1 1 A 96 96 THR H H 96 9.320 9.269 0.051 1 1 891 . 20 1 1 A 96 96 THR HA H 96 4.210 4.629 -0.419 1 1 896 . 20 1 1 A 96 96 THR C C 96 173.000 174.787 -1.787 1 1 897 . 20 1 1 A 96 96 THR CA C 96 61.800 61.960 -0.160 1 1 898 . 20 1 1 A 96 96 THR CB C 96 67.600 68.644 -1.044 1 1 900 . 20 1 1 A 96 96 THR N N 96 113.800 120.731 -6.931 1 1 901 . 20 1 1 A 97 97 GLY H H 97 8.600 8.059 0.541 1 1 902 . 20 1 1 A 97 97 GLY HA2 H 97 3.580 3.882 -0.302 1 1 903 . 20 1 1 A 97 97 GLY HA3 H 97 4.500 3.887 0.613 1 1 904 . 20 1 1 A 97 97 GLY C C 97 174.800 174.273 0.527 1 1 905 . 20 1 1 A 97 97 GLY CA C 97 44.000 47.148 -3.148 1 1 906 . 20 1 1 A 97 97 GLY N N 97 110.900 110.638 0.262 1 1 907 . 20 1 1 A 98 98 ARG H H 98 9.400 8.639 0.761 1 1 908 . 20 1 1 A 98 98 ARG HA H 98 4.110 4.629 -0.519 1 1 911 . 20 1 1 A 98 98 ARG C C 98 175.700 175.390 0.310 1 1 912 . 20 1 1 A 98 98 ARG CA C 98 58.800 57.375 1.425 1 1 913 . 20 1 1 A 98 98 ARG CB C 98 30.700 32.880 -2.180 1 1 914 . 20 1 1 A 98 98 ARG N N 98 125.500 123.226 2.274 1 1 915 . 20 1 1 A 99 99 ARG H H 99 8.180 7.882 0.298 1 1 916 . 20 1 1 A 99 99 ARG HA H 99 4.640 4.679 -0.039 1 1 919 . 20 1 1 A 99 99 ARG C C 99 175.000 174.606 0.394 1 1 920 . 20 1 1 A 99 99 ARG CA C 99 53.100 55.353 -2.253 1 1 921 . 20 1 1 A 99 99 ARG CB C 99 33.200 31.523 1.677 1 1 922 . 20 1 1 A 99 99 ARG N N 99 114.300 118.495 -4.195 1 1 923 . 20 1 1 A 100 100 GLN H H 100 8.710 8.969 -0.259 1 1 924 . 20 1 1 A 100 100 GLN HA H 100 3.620 4.572 -0.952 1 1 929 . 20 1 1 A 100 100 GLN C C 100 173.900 175.027 -1.127 1 1 930 . 20 1 1 A 100 100 GLN CA C 100 56.400 55.432 0.968 1 1 931 . 20 1 1 A 100 100 GLN CB C 100 29.600 28.530 1.070 1 1 933 . 20 1 1 A 100 100 GLN N N 100 121.700 127.705 -6.005 1 1 934 . 20 1 1 A 101 101 HIS H H 101 7.900 8.697 -0.797 1 1 935 . 20 1 1 A 101 101 HIS HA H 101 4.530 4.752 -0.222 1 1 939 . 20 1 1 A 101 101 HIS C C 101 173.100 174.715 -1.615 1 1 940 . 20 1 1 A 101 101 HIS CA C 101 55.100 54.984 0.116 1 1 941 . 20 1 1 A 101 101 HIS CB C 101 32.100 29.880 2.220 1 1 942 . 20 1 1 A 101 101 HIS N N 101 130.600 128.021 2.579 1 1 943 . 20 1 1 A 102 102 LEU H H 102 8.080 8.386 -0.306 1 1 944 . 20 1 1 A 102 102 LEU HA H 102 4.060 4.080 -0.020 1 1 948 . 20 1 1 A 102 102 LEU C C 102 177.200 176.926 0.274 1 1 949 . 20 1 1 A 102 102 LEU CA C 102 54.900 55.695 -0.795 1 1 950 . 20 1 1 A 102 102 LEU CB C 102 41.600 41.537 0.063 1 1 951 . 20 1 1 A 102 102 LEU N N 102 121.400 128.827 -7.427 1 1 952 . 20 1 1 A 103 103 LEU H H 103 8.260 8.599 -0.339 1 1 953 . 20 1 1 A 103 103 LEU HA H 103 4.490 4.689 -0.199 1 1 963 . 20 1 1 A 103 103 LEU C C 103 177.100 176.972 0.128 1 1 964 . 20 1 1 A 103 103 LEU CA C 103 53.400 53.792 -0.392 1 1 965 . 20 1 1 A 103 103 LEU CB C 103 42.600 42.726 -0.126 1 1 969 . 20 1 1 A 103 103 LEU N N 103 123.000 125.758 -2.758 1 1 970 . 20 1 1 A 104 104 GLY H H 104 8.820 8.710 0.110 1 1 971 . 20 1 1 A 104 104 GLY HA2 H 104 3.930 4.227 -0.297 1 1 972 . 20 1 1 A 104 104 GLY HA3 H 104 4.440 4.243 0.197 1 1 973 . 20 1 1 A 104 104 GLY CA C 104 44.500 43.718 0.782 1 1 974 . 20 1 1 A 104 104 GLY N N 104 110.200 107.780 2.420 1 1 975 . 20 1 1 A 105 105 PRO HA H 105 4.230 4.236 -0.006 1 1 978 . 20 1 1 A 105 105 PRO C C 105 178.900 178.566 0.334 1 1 979 . 20 1 1 A 105 105 PRO CA C 105 65.200 65.129 0.071 1 1 980 . 20 1 1 A 105 105 PRO CB C 105 31.900 31.823 0.077 1 1 981 . 20 1 1 A 106 106 GLU H H 106 9.150 8.521 0.629 1 1 982 . 20 1 1 A 106 106 GLU HA H 106 4.080 4.080 0.000 1 1 987 . 20 1 1 A 106 106 GLU C C 106 178.500 178.346 0.154 1 1 988 . 20 1 1 A 106 106 GLU CA C 106 58.600 58.964 -0.364 1 1 989 . 20 1 1 A 106 106 GLU CB C 106 28.500 28.974 -0.474 1 1 991 . 20 1 1 A 106 106 GLU N N 106 115.400 117.059 -1.659 1 1 992 . 20 1 1 A 107 107 GLN H H 107 7.680 7.872 -0.192 1 1 993 . 20 1 1 A 107 107 GLN HA H 107 4.160 4.293 -0.133 1 1 998 . 20 1 1 A 107 107 GLN C C 107 175.200 177.619 -2.419 1 1 999 . 20 1 1 A 107 107 GLN CA C 107 58.500 58.066 0.434 1 1 1000 . 20 1 1 A 107 107 GLN CB C 107 29.400 29.587 -0.187 1 1 1002 . 20 1 1 A 107 107 GLN N N 107 116.100 118.328 -2.228 1 1 1003 . 20 1 1 A 108 108 VAL H H 108 7.080 7.335 -0.255 1 1 1004 . 20 1 1 A 108 108 VAL HA H 108 4.270 3.955 0.315 1 1 1012 . 20 1 1 A 108 108 VAL C C 108 177.500 177.839 -0.339 1 1 1013 . 20 1 1 A 108 108 VAL CA C 108 62.000 64.909 -2.909 1 1 1014 . 20 1 1 A 108 108 VAL CB C 108 33.000 31.886 1.114 1 1 1017 . 20 1 1 A 108 108 VAL N N 108 104.800 115.985 -11.185 1 1 1018 . 20 1 1 A 109 109 ARG H H 109 8.220 7.888 0.332 1 1 1019 . 20 1 1 A 109 109 ARG HA H 109 4.060 4.128 -0.068 1 1 1024 . 20 1 1 A 109 109 ARG CA C 109 61.700 61.233 0.467 1 1 1025 . 20 1 1 A 109 109 ARG CB C 109 27.600 27.901 -0.301 1 1 1027 . 20 1 1 A 109 109 ARG N N 109 123.100 122.162 0.938 1 1 1028 . 20 1 1 A 110 110 PRO HA H 110 4.290 4.292 -0.002 1 1 1035 . 20 1 1 A 110 110 PRO C C 110 173.000 179.635 -6.635 1 1 1036 . 20 1 1 A 110 110 PRO CA C 110 65.800 66.167 -0.367 1 1 1037 . 20 1 1 A 110 110 PRO CB C 110 31.400 30.841 0.559 1 1 1040 . 20 1 1 A 111 111 LEU H H 111 7.080 7.731 -0.651 1 1 1041 . 20 1 1 A 111 111 LEU HA H 111 4.050 4.039 0.011 1 1 1051 . 20 1 1 A 111 111 LEU C C 111 178.800 179.111 -0.311 1 1 1052 . 20 1 1 A 111 111 LEU CA C 111 57.400 57.487 -0.087 1 1 1053 . 20 1 1 A 111 111 LEU CB C 111 40.100 41.552 -1.452 1 1 1056 . 20 1 1 A 111 111 LEU N N 111 117.700 116.824 0.876 1 1 1057 . 20 1 1 A 112 112 LEU H H 112 7.950 8.203 -0.253 1 1 1058 . 20 1 1 A 112 112 LEU HA H 112 4.050 4.023 0.027 1 1 1068 . 20 1 1 A 112 112 LEU C C 112 169.000 179.716 -10.716 1 1 1069 . 20 1 1 A 112 112 LEU CA C 112 58.000 57.880 0.120 1 1 1070 . 20 1 1 A 112 112 LEU CB C 112 41.100 39.947 1.153 1 1 1074 . 20 1 1 A 112 112 LEU N N 112 121.700 119.336 2.364 1 1 1075 . 20 1 1 A 113 113 ALA H H 113 8.230 8.650 -0.420 1 1 1076 . 20 1 1 A 113 113 ALA HA H 113 4.110 4.072 0.038 1 1 1080 . 20 1 1 A 113 113 ALA C C 113 178.700 180.222 -1.522 1 1 1081 . 20 1 1 A 113 113 ALA CA C 113 54.400 55.022 -0.622 1 1 1082 . 20 1 1 A 113 113 ALA CB C 113 18.100 18.151 -0.051 1 1 1083 . 20 1 1 A 113 113 ALA N N 113 120.900 122.597 -1.697 1 1 1084 . 20 1 1 A 114 114 MET H H 114 7.270 7.530 -0.260 1 1 1085 . 20 1 1 A 114 114 MET HA H 114 4.490 4.374 0.116 1 1 1093 . 20 1 1 A 114 114 MET C C 114 175.100 176.187 -1.087 1 1 1094 . 20 1 1 A 114 114 MET CA C 114 55.100 56.431 -1.331 1 1 1095 . 20 1 1 A 114 114 MET CB C 114 33.700 32.702 0.998 1 1 1098 . 20 1 1 A 114 114 MET N N 114 115.100 115.943 -0.843 1 1 1099 . 20 1 1 A 115 115 GLY H H 115 7.830 7.950 -0.120 1 1 1100 . 20 1 1 A 115 115 GLY HA2 H 115 3.660 4.025 -0.365 1 1 1101 . 20 1 1 A 115 115 GLY HA3 H 115 4.060 4.026 0.034 1 1 1102 . 20 1 1 A 115 115 GLY C C 115 173.700 174.536 -0.836 1 1 1103 . 20 1 1 A 115 115 GLY CA C 115 45.600 45.123 0.477 1 1 1104 . 20 1 1 A 115 115 GLY N N 115 106.300 106.174 0.126 1 1 1105 . 20 1 1 A 116 116 VAL H H 116 7.710 7.355 0.355 1 1 1106 . 20 1 1 A 116 116 VAL HA H 116 3.820 3.946 -0.126 1 1 1114 . 20 1 1 A 116 116 VAL C C 116 174.800 175.511 -0.711 1 1 1115 . 20 1 1 A 116 116 VAL CA C 116 61.200 62.897 -1.697 1 1 1116 . 20 1 1 A 116 116 VAL CB C 116 32.800 31.536 1.264 1 1 1119 . 20 1 1 A 116 116 VAL N N 116 123.600 121.854 1.746 1 1 1120 . 20 1 1 A 117 117 GLY H H 117 7.730 8.968 -1.238 1 1 1121 . 20 1 1 A 117 117 GLY HA2 H 117 3.570 4.014 -0.444 1 1 1122 . 20 1 1 A 117 117 GLY HA3 H 117 4.040 4.016 0.024 1 1 1123 . 20 1 1 A 117 117 GLY C C 117 172.600 173.310 -0.710 1 1 1124 . 20 1 1 A 117 117 GLY CA C 117 45.500 45.590 -0.090 1 1 1125 . 20 1 1 A 117 117 GLY N N 117 111.400 115.009 -3.609 1 1 1126 . 20 1 1 A 118 118 VAL H H 118 7.740 8.980 -1.240 1 1 1127 . 20 1 1 A 118 118 VAL HA H 118 5.100 4.556 0.544 1 1 1135 . 20 1 1 A 118 118 VAL C C 118 175.500 175.471 0.029 1 1 1136 . 20 1 1 A 118 118 VAL CA C 118 61.000 62.683 -1.683 1 1 1137 . 20 1 1 A 118 118 VAL CB C 118 34.300 31.943 2.357 1 1 1140 . 20 1 1 A 118 118 VAL N N 118 120.900 125.875 -4.975 1 1 1141 . 20 1 1 A 119 119 GLU H H 119 8.490 9.195 -0.705 1 1 1142 . 20 1 1 A 119 119 GLU HA H 119 4.630 5.037 -0.407 1 1 1147 . 20 1 1 A 119 119 GLU C C 119 173.500 175.383 -1.883 1 1 1148 . 20 1 1 A 119 119 GLU CA C 119 54.600 54.567 0.033 1 1 1149 . 20 1 1 A 119 119 GLU CB C 119 32.300 32.267 0.033 1 1 1151 . 20 1 1 A 119 119 GLU N N 119 127.000 126.873 0.127 1 1 1152 . 20 1 1 A 120 120 ALA H H 120 8.600 9.046 -0.446 1 1 1153 . 20 1 1 A 120 120 ALA HA H 120 5.530 5.477 0.053 1 1 1157 . 20 1 1 A 120 120 ALA C C 120 177.100 176.553 0.547 1 1 1158 . 20 1 1 A 120 120 ALA CA C 120 50.300 50.390 -0.090 1 1 1159 . 20 1 1 A 120 120 ALA CB C 120 20.800 20.818 -0.018 1 1 1160 . 20 1 1 A 120 120 ALA N N 120 126.500 128.508 -2.008 1 1 1161 . 20 1 1 A 121 121 MET H H 121 9.430 9.164 0.266 1 1 1162 . 20 1 1 A 121 121 MET HA H 121 4.630 4.969 -0.339 1 1 1170 . 20 1 1 A 121 121 MET C C 121 173.300 175.137 -1.837 1 1 1171 . 20 1 1 A 121 121 MET CA C 121 54.600 54.185 0.415 1 1 1172 . 20 1 1 A 121 121 MET CB C 121 36.800 37.284 -0.484 1 1 1175 . 20 1 1 A 121 121 MET N N 121 120.400 120.701 -0.301 1 1 1176 . 20 1 1 A 122 122 ASP H H 122 8.460 8.782 -0.322 1 1 1177 . 20 1 1 A 122 122 ASP HA H 122 4.170 4.690 -0.520 1 1 1180 . 20 1 1 A 122 122 ASP C C 122 175.200 177.588 -2.388 1 1 1181 . 20 1 1 A 122 122 ASP CA C 122 55.000 54.777 0.223 1 1 1182 . 20 1 1 A 122 122 ASP CB C 122 41.000 41.476 -0.476 1 1 1183 . 20 1 1 A 122 122 ASP N N 122 116.700 120.558 -3.858 1 1 1184 . 20 1 1 A 123 123 THR H H 123 9.580 8.735 0.845 1 1 1185 . 20 1 1 A 123 123 THR HA H 123 3.670 3.856 -0.186 1 1 1191 . 20 1 1 A 123 123 THR C C 123 174.400 176.189 -1.789 1 1 1192 . 20 1 1 A 123 123 THR CA C 123 68.700 66.503 2.197 1 1 1193 . 20 1 1 A 123 123 THR CB C 123 68.800 68.769 0.031 1 1 1195 . 20 1 1 A 123 123 THR N N 123 119.600 117.070 2.530 1 1 1196 . 20 1 1 A 124 124 GLN H H 124 8.580 7.826 0.754 1 1 1197 . 20 1 1 A 124 124 GLN HA H 124 3.240 4.013 -0.773 1 1 1202 . 20 1 1 A 124 124 GLN C C 124 177.700 177.881 -0.181 1 1 1203 . 20 1 1 A 124 124 GLN CA C 124 60.100 58.317 1.783 1 1 1204 . 20 1 1 A 124 124 GLN CB C 124 27.400 28.625 -1.225 1 1 1206 . 20 1 1 A 124 124 GLN N N 124 121.500 121.151 0.349 1 1 1207 . 20 1 1 A 125 125 ALA H H 125 8.210 7.920 0.290 1 1 1208 . 20 1 1 A 125 125 ALA HA H 125 3.960 4.137 -0.177 1 1 1212 . 20 1 1 A 125 125 ALA C C 125 167.800 179.619 -11.819 1 1 1213 . 20 1 1 A 125 125 ALA CA C 125 54.800 55.003 -0.203 1 1 1214 . 20 1 1 A 125 125 ALA CB C 125 18.700 18.477 0.223 1 1 1215 . 20 1 1 A 125 125 ALA N N 125 122.600 121.485 1.115 1 1 1216 . 20 1 1 A 126 126 ALA H H 126 8.900 8.450 0.450 1 1 1217 . 20 1 1 A 126 126 ALA HA H 126 4.110 4.004 0.106 1 1 1221 . 20 1 1 A 126 126 ALA C C 126 178.500 179.469 -0.969 1 1 1222 . 20 1 1 A 126 126 ALA CA C 126 55.300 54.974 0.326 1 1 1223 . 20 1 1 A 126 126 ALA CB C 126 18.100 18.272 -0.172 1 1 1224 . 20 1 1 A 126 126 ALA N N 126 124.600 119.847 4.753 1 1 1225 . 20 1 1 A 127 127 ALA H H 127 8.440 7.817 0.623 1 1 1226 . 20 1 1 A 127 127 ALA HA H 127 3.850 4.085 -0.235 1 1 1230 . 20 1 1 A 127 127 ALA C C 127 178.400 180.219 -1.819 1 1 1231 . 20 1 1 A 127 127 ALA CA C 127 55.500 55.295 0.205 1 1 1232 . 20 1 1 A 127 127 ALA CB C 127 18.500 18.392 0.108 1 1 1233 . 20 1 1 A 127 127 ALA N N 127 120.200 120.625 -0.425 1 1 1234 . 20 1 1 A 128 128 ARG H H 128 7.790 7.728 0.062 1 1 1235 . 20 1 1 A 128 128 ARG HA H 128 4.020 4.099 -0.079 1 1 1240 . 20 1 1 A 128 128 ARG C C 128 179.400 178.793 0.607 1 1 1241 . 20 1 1 A 128 128 ARG CA C 128 59.600 59.692 -0.092 1 1 1242 . 20 1 1 A 128 128 ARG CB C 128 30.800 30.174 0.626 1 1 1244 . 20 1 1 A 128 128 ARG N N 128 115.900 118.123 -2.223 1 1 1245 . 20 1 1 A 129 129 THR H H 129 8.440 8.057 0.383 1 1 1246 . 20 1 1 A 129 129 THR HA H 129 3.770 3.965 -0.195 1 1 1251 . 20 1 1 A 129 129 THR C C 129 175.300 176.300 -1.000 1 1 1252 . 20 1 1 A 129 129 THR CA C 129 67.300 66.204 1.096 1 1 1253 . 20 1 1 A 129 129 THR CB C 129 68.300 68.363 -0.063 1 1 1255 . 20 1 1 A 129 129 THR N N 129 116.400 116.213 0.187 1 1 1256 . 20 1 1 A 130 130 TYR H H 130 8.790 8.448 0.342 1 1 1257 . 20 1 1 A 130 130 TYR HA H 130 3.600 4.050 -0.450 1 1 1262 . 20 1 1 A 130 130 TYR C C 130 175.500 177.339 -1.839 1 1 1263 . 20 1 1 A 130 130 TYR CA C 130 62.600 62.190 0.410 1 1 1264 . 20 1 1 A 130 130 TYR CB C 130 37.500 38.686 -1.186 1 1 1265 . 20 1 1 A 130 130 TYR N N 130 123.500 122.416 1.084 1 1 1266 . 20 1 1 A 131 131 ASN H H 131 7.800 8.133 -0.333 1 1 1267 . 20 1 1 A 131 131 ASN HA H 131 4.220 4.260 -0.040 1 1 1270 . 20 1 1 A 131 131 ASN C C 131 179.200 177.957 1.243 1 1 1271 . 20 1 1 A 131 131 ASN CA C 131 55.500 56.401 -0.901 1 1 1272 . 20 1 1 A 131 131 ASN CB C 131 37.100 39.986 -2.886 1 1 1273 . 20 1 1 A 131 131 ASN N N 131 117.700 117.732 -0.032 1 1 1274 . 20 1 1 A 132 132 ILE H H 132 7.520 7.814 -0.294 1 1 1275 . 20 1 1 A 132 132 ILE HA H 132 3.710 3.610 0.100 1 1 1285 . 20 1 1 A 132 132 ILE C C 132 178.100 178.072 0.028 1 1 1286 . 20 1 1 A 132 132 ILE CA C 132 64.900 65.803 -0.903 1 1 1287 . 20 1 1 A 132 132 ILE CB C 132 38.500 38.268 0.232 1 1 1291 . 20 1 1 A 132 132 ILE N N 132 121.000 119.929 1.071 1 1 1292 . 20 1 1 A 133 133 LEU H H 133 8.420 8.465 -0.045 1 1 1293 . 20 1 1 A 133 133 LEU HA H 133 3.910 4.026 -0.116 1 1 1303 . 20 1 1 A 133 133 LEU C C 133 179.600 179.493 0.107 1 1 1304 . 20 1 1 A 133 133 LEU CA C 133 57.900 57.847 0.053 1 1 1305 . 20 1 1 A 133 133 LEU CB C 133 41.700 41.080 0.620 1 1 1309 . 20 1 1 A 133 133 LEU N N 133 120.500 118.250 2.250 1 1 1310 . 20 1 1 A 134 134 MET H H 134 8.990 8.409 0.581 1 1 1311 . 20 1 1 A 134 134 MET HA H 134 3.870 4.015 -0.145 1 1 1319 . 20 1 1 A 134 134 MET C C 134 167.400 177.933 -10.533 1 1 1320 . 20 1 1 A 134 134 MET CA C 134 58.400 58.416 -0.016 1 1 1321 . 20 1 1 A 134 134 MET CB C 134 30.700 32.128 -1.428 1 1 1324 . 20 1 1 A 134 134 MET N N 134 119.900 118.723 1.177 1 1 1325 . 20 1 1 A 135 135 ALA H H 135 7.490 7.727 -0.237 1 1 1326 . 20 1 1 A 135 135 ALA HA H 135 4.060 4.036 0.024 1 1 1330 . 20 1 1 A 135 135 ALA C C 135 179.100 180.525 -1.425 1 1 1331 . 20 1 1 A 135 135 ALA CA C 135 54.700 54.679 0.021 1 1 1332 . 20 1 1 A 135 135 ALA CB C 135 18.000 18.326 -0.326 1 1 1333 . 20 1 1 A 135 135 ALA N N 135 124.600 121.410 3.190 1 1 1334 . 20 1 1 A 136 136 GLU H H 136 7.540 7.537 0.003 1 1 1335 . 20 1 1 A 136 136 GLU HA H 136 4.230 4.370 -0.140 1 1 1340 . 20 1 1 A 136 136 GLU C C 136 176.900 176.689 0.211 1 1 1341 . 20 1 1 A 136 136 GLU CA C 136 56.400 57.328 -0.928 1 1 1342 . 20 1 1 A 136 136 GLU CB C 136 30.300 30.252 0.048 1 1 1344 . 20 1 1 A 136 136 GLU N N 136 116.500 117.335 -0.835 1 1 1345 . 20 1 1 A 137 137 GLY H H 137 7.870 7.927 -0.057 1 1 1346 . 20 1 1 A 137 137 GLY HA2 H 137 3.760 3.871 -0.111 1 1 1347 . 20 1 1 A 137 137 GLY HA3 H 137 4.140 3.879 0.261 1 1 1348 . 20 1 1 A 137 137 GLY C C 137 175.100 174.269 0.831 1 1 1349 . 20 1 1 A 137 137 GLY CA C 137 45.600 46.004 -0.404 1 1 1350 . 20 1 1 A 137 137 GLY N N 137 107.100 108.719 -1.619 1 1 1351 . 20 1 1 A 138 138 ARG H H 138 7.580 7.774 -0.194 1 1 1352 . 20 1 1 A 138 138 ARG HA H 138 4.270 4.644 -0.374 1 1 1357 . 20 1 1 A 138 138 ARG C C 138 176.900 175.345 1.555 1 1 1358 . 20 1 1 A 138 138 ARG CA C 138 54.500 54.414 0.086 1 1 1359 . 20 1 1 A 138 138 ARG CB C 138 30.100 32.585 -2.485 1 1 1361 . 20 1 1 A 138 138 ARG N N 138 118.100 120.877 -2.777 1 1 1362 . 20 1 1 A 139 139 ARG H H 139 9.240 9.003 0.237 1 1 1363 . 20 1 1 A 139 139 ARG HA H 139 4.470 4.504 -0.034 1 1 1370 . 20 1 1 A 139 139 ARG C C 139 174.400 175.064 -0.664 1 1 1371 . 20 1 1 A 139 139 ARG CA C 139 55.700 56.010 -0.310 1 1 1372 . 20 1 1 A 139 139 ARG CB C 139 28.000 29.482 -1.482 1 1 1375 . 20 1 1 A 139 139 ARG N N 139 124.400 125.014 -0.614 1 1 1376 . 20 1 1 A 140 140 VAL H H 140 7.250 8.324 -1.074 1 1 1377 . 20 1 1 A 140 140 VAL HA H 140 5.180 5.219 -0.039 1 1 1385 . 20 1 1 A 140 140 VAL C C 140 172.800 174.063 -1.263 1 1 1386 . 20 1 1 A 140 140 VAL CA C 140 57.700 59.831 -2.131 1 1 1387 . 20 1 1 A 140 140 VAL CB C 140 34.700 34.658 0.042 1 1 1390 . 20 1 1 A 140 140 VAL N N 140 121.900 124.695 -2.795 1 1 1391 . 20 1 1 A 141 141 VAL H H 141 8.180 8.828 -0.648 1 1 1392 . 20 1 1 A 141 141 VAL HA H 141 4.510 5.043 -0.533 1 1 1400 . 20 1 1 A 141 141 VAL C C 141 172.600 174.337 -1.737 1 1 1401 . 20 1 1 A 141 141 VAL CA C 141 60.300 60.814 -0.514 1 1 1402 . 20 1 1 A 141 141 VAL CB C 141 35.600 34.836 0.764 1 1 1405 . 20 1 1 A 141 141 VAL N N 141 123.900 127.901 -4.001 1 1 1406 . 20 1 1 A 142 142 VAL H H 142 8.430 8.410 0.020 1 1 1407 . 20 1 1 A 142 142 VAL HA H 142 5.220 5.025 0.195 1 1 1415 . 20 1 1 A 142 142 VAL C C 142 170.000 172.824 -2.824 1 1 1416 . 20 1 1 A 142 142 VAL CA C 142 57.600 58.890 -1.290 1 1 1417 . 20 1 1 A 142 142 VAL CB C 142 35.500 34.331 1.169 1 1 1420 . 20 1 1 A 142 142 VAL N N 142 124.600 126.929 -2.329 1 1 1421 . 20 1 1 A 143 143 ALA H H 143 8.220 9.004 -0.784 1 1 1422 . 20 1 1 A 143 143 ALA HA H 143 4.680 4.750 -0.070 1 1 1426 . 20 1 1 A 143 143 ALA C C 143 175.400 175.121 0.279 1 1 1427 . 20 1 1 A 143 143 ALA CA C 143 49.900 50.005 -0.105 1 1 1428 . 20 1 1 A 143 143 ALA CB C 143 19.600 19.812 -0.212 1 1 1429 . 20 1 1 A 143 143 ALA N N 143 129.100 130.055 -0.955 1 1 1430 . 20 1 1 A 144 144 LEU H H 144 9.070 9.085 -0.015 1 1 1431 . 20 1 1 A 144 144 LEU HA H 144 4.840 5.000 -0.160 1 1 1441 . 20 1 1 A 144 144 LEU CA C 144 53.400 53.588 -0.188 1 1 1442 . 20 1 1 A 144 144 LEU CB C 144 46.500 42.859 3.641 1 1 1445 . 20 1 1 A 144 144 LEU N N 144 119.600 123.916 -4.316 1 1 1446 . 20 1 1 A 145 145 LEU HA H 145 4.830 5.016 -0.186 1 1 1456 . 20 1 1 A 145 145 LEU CA C 145 51.800 51.230 0.570 1 1 1457 . 20 1 1 A 145 145 LEU CB C 145 41.700 43.909 -2.209 1 1 1461 . 20 1 1 A 146 146 PRO HA H 146 4.330 4.701 -0.371 1 1 1466 . 20 1 1 A 146 146 PRO C C 146 175.700 176.490 -0.790 1 1 1467 . 20 1 1 A 146 146 PRO CA C 146 62.800 62.183 0.617 1 1 1468 . 20 1 1 A 146 146 PRO CB C 146 31.500 33.405 -1.905 1 1 1470 . 20 1 1 A 147 147 ASP H H 147 8.660 8.279 0.381 1 1 1471 . 20 1 1 A 147 147 ASP HA H 147 4.510 4.578 -0.068 1 1 1474 . 20 1 1 A 147 147 ASP C C 147 176.300 176.567 -0.267 1 1 1475 . 20 1 1 A 147 147 ASP CA C 147 54.300 56.119 -1.819 1 1 1476 . 20 1 1 A 147 147 ASP CB C 147 42.100 40.901 1.199 1 1 1477 . 20 1 1 A 147 147 ASP N N 147 120.700 120.331 0.369 1 1 1478 . 20 1 1 A 148 148 GLY H H 148 8.310 7.752 0.558 1 1 1479 . 20 1 1 A 148 148 GLY HA2 H 148 4.020 4.076 -0.056 1 1 1480 . 20 1 1 A 148 148 GLY HA3 H 148 4.050 4.093 -0.043 1 1 1481 . 20 1 1 A 148 148 GLY C C 148 173.600 174.290 -0.690 1 1 1482 . 20 1 1 A 148 148 GLY CA C 148 45.200 45.458 -0.258 1 1 1483 . 20 1 1 A 148 148 GLY N N 148 109.400 107.675 1.725 1 1 1484 . 20 1 1 A 149 149 ASP H H 149 8.550 8.466 0.084 1 1 1485 . 20 1 1 A 149 149 ASP HA H 149 4.650 4.370 0.280 1 1 1488 . 20 1 1 A 149 149 ASP C C 149 176.700 175.022 1.678 1 1 1489 . 20 1 1 A 149 149 ASP CA C 149 54.500 55.013 -0.513 1 1 1490 . 20 1 1 A 149 149 ASP CB C 149 41.600 39.347 2.253 1 1 1491 . 20 1 1 A 149 149 ASP N N 149 120.800 120.033 0.767 1 1 1492 . 20 1 1 A 150 150 SER H H 150 8.600 7.942 0.658 1 1 1493 . 20 1 1 A 150 150 SER HA H 150 4.350 4.749 -0.399 1 1 1496 . 20 1 1 A 150 150 SER C C 150 175.000 173.759 1.241 1 1 1497 . 20 1 1 A 150 150 SER CA C 150 58.900 58.167 0.733 1 1 1498 . 20 1 1 A 150 150 SER CB C 150 63.500 63.782 -0.282 1 1 1499 . 20 1 1 A 150 150 SER N N 150 116.400 114.741 1.659 1 1 1500 . 20 1 1 A 151 151 LEU H H 151 8.290 8.900 -0.610 1 1 1501 . 20 1 1 A 151 151 LEU CA C 151 55.500 54.607 0.893 1 1 1502 . 20 1 1 A 151 151 LEU CB C 151 41.900 42.352 -0.452 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 130 2.633 1 2 1 1 1 "RMS(OBS, PRED)" CA 145 1.300 1 3 1 1 1 "RMS(OBS, PRED)" CB 132 1.345 1 4 1 1 1 "RMS(OBS, PRED)" H 130 0.555 1 5 1 1 1 "RMS(OBS, PRED)" HA 148 0.373 1 6 1 1 1 "RMS(OBS, PRED)" N 129 3.084 1 7 1 2 1 "RMS(OBS, PRED)" C 130 2.624 1 8 1 2 1 "RMS(OBS, PRED)" CA 145 1.134 1 9 1 2 1 "RMS(OBS, PRED)" CB 132 1.285 1 10 1 2 1 "RMS(OBS, PRED)" H 130 0.547 1 11 1 2 1 "RMS(OBS, PRED)" HA 148 0.346 1 12 1 2 1 "RMS(OBS, PRED)" N 129 2.889 1 13 1 3 1 "RMS(OBS, PRED)" C 130 2.656 1 14 1 3 1 "RMS(OBS, PRED)" CA 145 1.377 1 15 1 3 1 "RMS(OBS, PRED)" CB 132 1.366 1 16 1 3 1 "RMS(OBS, PRED)" H 130 0.526 1 17 1 3 1 "RMS(OBS, PRED)" HA 148 0.364 1 18 1 3 1 "RMS(OBS, PRED)" N 129 3.434 1 19 1 4 1 "RMS(OBS, PRED)" C 130 2.622 1 20 1 4 1 "RMS(OBS, PRED)" CA 145 1.088 1 21 1 4 1 "RMS(OBS, PRED)" CB 132 1.228 1 22 1 4 1 "RMS(OBS, PRED)" H 130 0.527 1 23 1 4 1 "RMS(OBS, PRED)" HA 148 0.348 1 24 1 4 1 "RMS(OBS, PRED)" N 129 3.204 1 25 1 5 1 "RMS(OBS, PRED)" C 130 2.544 1 26 1 5 1 "RMS(OBS, PRED)" CA 145 1.115 1 27 1 5 1 "RMS(OBS, PRED)" CB 132 1.371 1 28 1 5 1 "RMS(OBS, PRED)" H 130 0.538 1 29 1 5 1 "RMS(OBS, PRED)" HA 148 0.361 1 30 1 5 1 "RMS(OBS, PRED)" N 129 3.061 1 31 1 6 1 "RMS(OBS, PRED)" C 130 2.584 1 32 1 6 1 "RMS(OBS, PRED)" CA 145 1.179 1 33 1 6 1 "RMS(OBS, PRED)" CB 132 1.439 1 34 1 6 1 "RMS(OBS, PRED)" H 130 0.577 1 35 1 6 1 "RMS(OBS, PRED)" HA 148 0.373 1 36 1 6 1 "RMS(OBS, PRED)" N 129 3.104 1 37 1 7 1 "RMS(OBS, PRED)" C 130 2.587 1 38 1 7 1 "RMS(OBS, PRED)" CA 145 1.008 1 39 1 7 1 "RMS(OBS, PRED)" CB 132 1.278 1 40 1 7 1 "RMS(OBS, PRED)" H 130 0.527 1 41 1 7 1 "RMS(OBS, PRED)" HA 148 0.347 1 42 1 7 1 "RMS(OBS, PRED)" N 129 3.114 1 43 1 8 1 "RMS(OBS, PRED)" C 130 2.620 1 44 1 8 1 "RMS(OBS, PRED)" CA 145 1.367 1 45 1 8 1 "RMS(OBS, PRED)" CB 132 1.241 1 46 1 8 1 "RMS(OBS, PRED)" H 130 0.586 1 47 1 8 1 "RMS(OBS, PRED)" HA 148 0.363 1 48 1 8 1 "RMS(OBS, PRED)" N 129 3.041 1 49 1 9 1 "RMS(OBS, PRED)" C 130 2.624 1 50 1 9 1 "RMS(OBS, PRED)" CA 145 1.160 1 51 1 9 1 "RMS(OBS, PRED)" CB 132 1.366 1 52 1 9 1 "RMS(OBS, PRED)" H 130 0.528 1 53 1 9 1 "RMS(OBS, PRED)" HA 148 0.350 1 54 1 9 1 "RMS(OBS, PRED)" N 129 3.150 1 55 1 10 1 "RMS(OBS, PRED)" C 130 2.554 1 56 1 10 1 "RMS(OBS, PRED)" CA 145 1.218 1 57 1 10 1 "RMS(OBS, PRED)" CB 132 1.148 1 58 1 10 1 "RMS(OBS, PRED)" H 130 0.543 1 59 1 10 1 "RMS(OBS, PRED)" HA 148 0.348 1 60 1 10 1 "RMS(OBS, PRED)" N 129 3.455 1 61 1 11 1 "RMS(OBS, PRED)" C 130 2.573 1 62 1 11 1 "RMS(OBS, PRED)" CA 145 1.274 1 63 1 11 1 "RMS(OBS, PRED)" CB 132 1.286 1 64 1 11 1 "RMS(OBS, PRED)" H 130 0.587 1 65 1 11 1 "RMS(OBS, PRED)" HA 148 0.359 1 66 1 11 1 "RMS(OBS, PRED)" N 129 3.101 1 67 1 12 1 "RMS(OBS, PRED)" C 130 2.617 1 68 1 12 1 "RMS(OBS, PRED)" CA 145 1.244 1 69 1 12 1 "RMS(OBS, PRED)" CB 132 1.222 1 70 1 12 1 "RMS(OBS, PRED)" H 130 0.534 1 71 1 12 1 "RMS(OBS, PRED)" HA 148 0.330 1 72 1 12 1 "RMS(OBS, PRED)" N 129 3.033 1 73 1 13 1 "RMS(OBS, PRED)" C 130 2.588 1 74 1 13 1 "RMS(OBS, PRED)" CA 145 1.312 1 75 1 13 1 "RMS(OBS, PRED)" CB 132 1.432 1 76 1 13 1 "RMS(OBS, PRED)" H 130 0.542 1 77 1 13 1 "RMS(OBS, PRED)" HA 148 0.346 1 78 1 13 1 "RMS(OBS, PRED)" N 129 3.601 1 79 1 14 1 "RMS(OBS, PRED)" C 130 2.608 1 80 1 14 1 "RMS(OBS, PRED)" CA 145 1.179 1 81 1 14 1 "RMS(OBS, PRED)" CB 132 1.450 1 82 1 14 1 "RMS(OBS, PRED)" H 130 0.554 1 83 1 14 1 "RMS(OBS, PRED)" HA 148 0.368 1 84 1 14 1 "RMS(OBS, PRED)" N 129 3.231 1 85 1 15 1 "RMS(OBS, PRED)" C 130 2.606 1 86 1 15 1 "RMS(OBS, PRED)" CA 145 1.365 1 87 1 15 1 "RMS(OBS, PRED)" CB 132 1.277 1 88 1 15 1 "RMS(OBS, PRED)" H 130 0.566 1 89 1 15 1 "RMS(OBS, PRED)" HA 148 0.349 1 90 1 15 1 "RMS(OBS, PRED)" N 129 3.512 1 91 1 16 1 "RMS(OBS, PRED)" C 130 2.597 1 92 1 16 1 "RMS(OBS, PRED)" CA 145 1.347 1 93 1 16 1 "RMS(OBS, PRED)" CB 132 1.359 1 94 1 16 1 "RMS(OBS, PRED)" H 130 0.547 1 95 1 16 1 "RMS(OBS, PRED)" HA 148 0.340 1 96 1 16 1 "RMS(OBS, PRED)" N 129 2.946 1 97 1 17 1 "RMS(OBS, PRED)" C 130 2.595 1 98 1 17 1 "RMS(OBS, PRED)" CA 145 1.198 1 99 1 17 1 "RMS(OBS, PRED)" CB 132 1.320 1 100 1 17 1 "RMS(OBS, PRED)" H 130 0.533 1 101 1 17 1 "RMS(OBS, PRED)" HA 148 0.366 1 102 1 17 1 "RMS(OBS, PRED)" N 129 3.254 1 103 1 18 1 "RMS(OBS, PRED)" C 130 2.563 1 104 1 18 1 "RMS(OBS, PRED)" CA 145 1.119 1 105 1 18 1 "RMS(OBS, PRED)" CB 132 1.348 1 106 1 18 1 "RMS(OBS, PRED)" H 130 0.579 1 107 1 18 1 "RMS(OBS, PRED)" HA 148 0.357 1 108 1 18 1 "RMS(OBS, PRED)" N 129 3.037 1 109 1 19 1 "RMS(OBS, PRED)" C 130 2.643 1 110 1 19 1 "RMS(OBS, PRED)" CA 145 1.256 1 111 1 19 1 "RMS(OBS, PRED)" CB 132 1.397 1 112 1 19 1 "RMS(OBS, PRED)" H 130 0.542 1 113 1 19 1 "RMS(OBS, PRED)" HA 148 0.357 1 114 1 19 1 "RMS(OBS, PRED)" N 129 3.254 1 115 1 20 1 "RMS(OBS, PRED)" C 130 2.596 1 116 1 20 1 "RMS(OBS, PRED)" CA 145 1.290 1 117 1 20 1 "RMS(OBS, PRED)" CB 132 1.438 1 118 1 20 1 "RMS(OBS, PRED)" H 130 0.523 1 119 1 20 1 "RMS(OBS, PRED)" HA 148 0.365 1 120 1 20 1 "RMS(OBS, PRED)" N 129 3.553 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 5 . 1 1 A 4 4 HIS C C 4 174.800 174.990 -0.190 2 1 6 . 1 1 A 4 4 HIS CA C 4 55.900 56.552 -0.652 2 1 7 . 1 1 A 4 4 HIS CB C 4 30.000 30.500 -0.500 2 1 8 . 1 1 A 5 5 THR H H 5 7.990 8.130 -0.140 2 1 9 . 1 1 A 5 5 THR C C 5 173.800 173.664 0.136 2 1 10 . 1 1 A 5 5 THR CA C 5 61.500 62.073 -0.573 2 1 11 . 1 1 A 5 5 THR CB C 5 69.900 69.687 0.213 2 1 12 . 1 1 A 5 5 THR N N 5 115.300 114.533 0.767 2 1 13 . 1 1 A 6 6 ASP H H 6 8.370 8.598 -0.228 2 1 14 . 1 1 A 6 6 ASP HA H 6 4.860 4.866 -0.006 2 1 17 . 1 1 A 6 6 ASP CA C 6 52.500 52.241 0.259 2 1 18 . 1 1 A 6 6 ASP CB C 6 41.100 41.027 0.073 2 1 19 . 1 1 A 6 6 ASP N N 6 124.400 124.296 0.104 2 1 20 . 1 1 A 7 7 PRO HA H 7 4.350 4.541 -0.191 2 1 26 . 1 1 A 7 7 PRO C C 7 176.900 176.431 0.469 2 1 27 . 1 1 A 7 7 PRO CA C 7 63.500 63.285 0.215 2 1 28 . 1 1 A 7 7 PRO CB C 7 32.100 31.832 0.268 2 1 31 . 1 1 A 8 8 ALA H H 8 8.420 8.126 0.294 2 1 32 . 1 1 A 8 8 ALA HA H 8 4.260 4.370 -0.110 2 1 36 . 1 1 A 8 8 ALA C C 8 178.100 177.235 0.865 2 1 37 . 1 1 A 8 8 ALA CA C 8 52.900 52.424 0.476 2 1 38 . 1 1 A 8 8 ALA CB C 8 19.200 19.661 -0.461 2 1 39 . 1 1 A 8 8 ALA N N 8 122.700 122.621 0.079 2 1 40 . 1 1 A 9 9 THR H H 9 7.880 8.425 -0.545 2 1 41 . 1 1 A 9 9 THR HA H 9 4.230 4.493 -0.263 2 1 46 . 1 1 A 9 9 THR C C 9 173.800 174.706 -0.906 2 1 47 . 1 1 A 9 9 THR CA C 9 61.700 62.291 -0.591 2 1 48 . 1 1 A 9 9 THR CB C 9 69.700 69.727 -0.027 2 1 50 . 1 1 A 9 9 THR N N 9 112.900 114.304 -1.404 2 1 51 . 1 1 A 10 10 ALA H H 10 8.160 8.432 -0.272 2 1 52 . 1 1 A 10 10 ALA HA H 10 4.340 4.393 -0.053 2 1 56 . 1 1 A 10 10 ALA C C 10 177.000 176.831 0.169 2 1 57 . 1 1 A 10 10 ALA CA C 10 52.300 52.563 -0.263 2 1 58 . 1 1 A 10 10 ALA CB C 10 19.400 19.259 0.141 2 1 59 . 1 1 A 10 10 ALA N N 10 127.000 125.020 1.980 2 1 60 . 1 1 A 11 11 LEU H H 11 8.040 8.222 -0.182 2 1 61 . 1 1 A 11 11 LEU HA H 11 4.640 4.529 0.111 2 1 70 . 1 1 A 11 11 LEU C C 11 178.300 175.857 2.443 2 1 71 . 1 1 A 11 11 LEU CA C 11 54.000 54.568 -0.568 2 1 72 . 1 1 A 11 11 LEU CB C 11 42.900 42.309 0.591 2 1 75 . 1 1 A 11 11 LEU N N 11 121.500 121.094 0.406 2 1 76 . 1 1 A 12 12 ASN H H 12 9.700 8.621 1.079 2 1 77 . 1 1 A 12 12 ASN HA H 12 4.760 5.004 -0.244 2 1 80 . 1 1 A 12 12 ASN C C 12 174.700 174.487 0.213 2 1 81 . 1 1 A 12 12 ASN CA C 12 54.100 53.235 0.865 2 1 82 . 1 1 A 12 12 ASN CB C 12 38.100 38.937 -0.837 2 1 83 . 1 1 A 12 12 ASN N N 12 121.500 122.785 -1.285 2 1 84 . 1 1 A 13 13 THR H H 13 8.710 8.708 0.002 2 1 85 . 1 1 A 13 13 THR HA H 13 4.760 4.944 -0.184 2 1 90 . 1 1 A 13 13 THR C C 13 173.600 173.947 -0.347 2 1 91 . 1 1 A 13 13 THR CA C 13 61.900 61.913 -0.014 2 1 92 . 1 1 A 13 13 THR CB C 13 71.500 71.215 0.285 2 1 94 . 1 1 A 13 13 THR N N 13 121.800 120.350 1.450 2 1 95 . 1 1 A 14 14 VAL H H 14 9.500 9.086 0.414 2 1 96 . 1 1 A 14 14 VAL HA H 14 4.660 4.053 0.607 2 1 104 . 1 1 A 14 14 VAL C C 14 177.000 176.788 0.212 2 1 105 . 1 1 A 14 14 VAL CA C 14 63.800 63.520 0.280 2 1 106 . 1 1 A 14 14 VAL CB C 14 30.600 31.367 -0.767 2 1 109 . 1 1 A 14 14 VAL N N 14 126.700 126.537 0.163 2 1 110 . 1 1 A 15 15 THR H H 15 8.900 8.895 0.005 2 1 111 . 1 1 A 15 15 THR HA H 15 4.300 4.372 -0.072 2 1 116 . 1 1 A 15 15 THR C C 15 174.900 174.868 0.032 2 1 117 . 1 1 A 15 15 THR CA C 15 62.800 63.322 -0.522 2 1 118 . 1 1 A 15 15 THR CB C 15 68.700 69.233 -0.533 2 1 120 . 1 1 A 15 15 THR N N 15 122.000 120.454 1.546 2 1 121 . 1 1 A 16 16 ALA H H 16 7.960 7.508 0.452 2 1 122 . 1 1 A 16 16 ALA HA H 16 4.360 4.679 -0.319 2 1 126 . 1 1 A 16 16 ALA C C 16 174.400 175.457 -1.057 2 1 127 . 1 1 A 16 16 ALA CA C 16 52.600 51.192 1.408 2 1 128 . 1 1 A 16 16 ALA CB C 16 21.900 21.777 0.123 2 1 129 . 1 1 A 16 16 ALA N N 16 120.900 121.384 -0.484 2 1 130 . 1 1 A 17 17 TYR H H 17 7.790 8.980 -1.190 2 1 131 . 1 1 A 17 17 TYR HA H 17 4.390 4.908 -0.518 2 1 136 . 1 1 A 17 17 TYR C C 17 173.000 175.348 -2.348 2 1 137 . 1 1 A 17 17 TYR CA C 17 56.400 57.378 -0.978 2 1 138 . 1 1 A 17 17 TYR CB C 17 39.700 40.192 -0.492 2 1 141 . 1 1 A 17 17 TYR N N 17 114.800 123.170 -8.370 2 1 142 . 1 1 A 18 18 GLY H H 18 7.030 8.043 -1.013 2 1 143 . 1 1 A 18 18 GLY HA2 H 18 3.210 3.414 -0.204 2 1 144 . 1 1 A 18 18 GLY HA3 H 18 3.900 3.911 -0.011 2 1 145 . 1 1 A 18 18 GLY C C 18 172.200 173.171 -0.970 2 1 146 . 1 1 A 18 18 GLY CA C 18 44.900 44.618 0.282 2 1 147 . 1 1 A 18 18 GLY N N 18 108.600 110.919 -2.319 2 1 148 . 1 1 A 19 19 ASP H H 19 8.410 8.207 0.203 2 1 149 . 1 1 A 19 19 ASP HA H 19 4.320 4.543 -0.223 2 1 152 . 1 1 A 19 19 ASP C C 19 176.500 176.648 -0.148 2 1 153 . 1 1 A 19 19 ASP CA C 19 55.600 54.659 0.941 2 1 154 . 1 1 A 19 19 ASP CB C 19 39.500 41.377 -1.877 2 1 155 . 1 1 A 19 19 ASP N N 19 120.400 120.371 0.030 2 1 156 . 1 1 A 20 20 GLY H H 20 8.670 8.156 0.514 2 1 157 . 1 1 A 20 20 GLY HA2 H 20 3.670 3.974 -0.304 2 1 158 . 1 1 A 20 20 GLY HA3 H 20 4.210 4.022 0.188 2 1 159 . 1 1 A 20 20 GLY C C 20 173.900 173.461 0.439 2 1 160 . 1 1 A 20 20 GLY CA C 20 45.800 45.545 0.255 2 1 161 . 1 1 A 20 20 GLY N N 20 113.500 109.644 3.856 2 1 162 . 1 1 A 21 21 TYR H H 21 7.530 7.313 0.217 2 1 163 . 1 1 A 21 21 TYR HA H 21 5.480 5.176 0.304 2 1 168 . 1 1 A 21 21 TYR C C 21 172.800 173.173 -0.373 2 1 169 . 1 1 A 21 21 TYR CA C 21 56.700 56.030 0.670 2 1 170 . 1 1 A 21 21 TYR CB C 21 41.400 41.094 0.306 2 1 173 . 1 1 A 21 21 TYR N N 21 114.300 116.280 -1.980 2 1 174 . 1 1 A 22 22 ILE H H 22 8.780 9.033 -0.253 2 1 175 . 1 1 A 22 22 ILE HA H 22 4.350 4.779 -0.429 2 1 185 . 1 1 A 22 22 ILE C C 22 173.800 174.593 -0.793 2 1 186 . 1 1 A 22 22 ILE CA C 22 60.200 60.439 -0.239 2 1 187 . 1 1 A 22 22 ILE CB C 22 41.700 40.268 1.432 2 1 191 . 1 1 A 22 22 ILE N N 22 119.300 121.157 -1.857 2 1 192 . 1 1 A 23 23 GLU H H 23 9.010 9.204 -0.194 2 1 193 . 1 1 A 23 23 GLU HA H 23 5.680 5.162 0.518 2 1 198 . 1 1 A 23 23 GLU C C 23 175.000 175.383 -0.383 2 1 199 . 1 1 A 23 23 GLU CA C 23 54.300 55.329 -1.029 2 1 200 . 1 1 A 23 23 GLU CB C 23 33.500 31.464 2.036 2 1 202 . 1 1 A 23 23 GLU N N 23 127.800 128.458 -0.658 2 1 203 . 1 1 A 24 24 VAL H H 24 8.980 8.984 -0.004 2 1 204 . 1 1 A 24 24 VAL HA H 24 4.840 4.504 0.336 2 1 212 . 1 1 A 24 24 VAL C C 24 177.300 176.103 1.197 2 1 213 . 1 1 A 24 24 VAL CA C 24 60.600 61.086 -0.486 2 1 214 . 1 1 A 24 24 VAL CB C 24 33.600 33.376 0.224 2 1 217 . 1 1 A 24 24 VAL N N 24 125.400 127.489 -2.089 2 1 218 . 1 1 A 25 25 ASN H H 25 9.340 9.204 0.136 2 1 219 . 1 1 A 25 25 ASN HA H 25 4.340 4.371 -0.031 2 1 222 . 1 1 A 25 25 ASN C C 25 173.800 174.568 -0.768 2 1 223 . 1 1 A 25 25 ASN CA C 25 54.600 54.802 -0.202 2 1 224 . 1 1 A 25 25 ASN CB C 25 36.600 37.203 -0.603 2 1 225 . 1 1 A 25 25 ASN N N 25 127.800 125.382 2.418 2 1 226 . 1 1 A 26 26 GLN H H 26 7.920 8.444 -0.524 2 1 227 . 1 1 A 26 26 GLN HA H 26 3.670 4.099 -0.429 2 1 232 . 1 1 A 26 26 GLN C C 26 174.400 174.561 -0.161 2 1 233 . 1 1 A 26 26 GLN CA C 26 58.100 56.822 1.278 2 1 234 . 1 1 A 26 26 GLN CB C 26 26.500 28.196 -1.696 2 1 236 . 1 1 A 26 26 GLN N N 26 104.100 112.576 -8.476 2 1 237 . 1 1 A 27 27 VAL H H 27 7.850 7.552 0.298 2 1 238 . 1 1 A 27 27 VAL HA H 27 3.900 4.066 -0.167 2 1 246 . 1 1 A 27 27 VAL C C 27 174.200 174.663 -0.463 2 1 247 . 1 1 A 27 27 VAL CA C 27 62.100 61.597 0.503 2 1 248 . 1 1 A 27 27 VAL CB C 27 32.500 32.687 -0.187 2 1 251 . 1 1 A 27 27 VAL N N 27 123.100 119.989 3.111 2 1 252 . 1 1 A 28 28 ARG H H 28 8.430 8.544 -0.114 2 1 253 . 1 1 A 28 28 ARG HA H 28 4.320 4.693 -0.373 2 1 256 . 1 1 A 28 28 ARG C C 28 175.200 174.849 0.351 2 1 257 . 1 1 A 28 28 ARG CA C 28 57.100 55.279 1.821 2 1 258 . 1 1 A 28 28 ARG CB C 28 31.300 30.651 0.649 2 1 259 . 1 1 A 28 28 ARG N N 28 126.200 127.450 -1.250 2 1 260 . 1 1 A 29 29 PHE H H 29 9.290 9.447 -0.157 2 1 261 . 1 1 A 29 29 PHE HA H 29 4.580 4.811 -0.231 2 1 266 . 1 1 A 29 29 PHE C C 29 175.800 175.720 0.080 2 1 267 . 1 1 A 29 29 PHE CA C 29 57.700 57.003 0.697 2 1 268 . 1 1 A 29 29 PHE CB C 29 42.000 39.871 2.129 2 1 271 . 1 1 A 29 29 PHE N N 29 123.900 124.935 -1.035 2 1 272 . 1 1 A 30 30 SER H H 30 8.950 8.878 0.072 2 1 273 . 1 1 A 30 30 SER HA H 30 5.130 4.764 0.366 2 1 276 . 1 1 A 30 30 SER C C 30 172.900 173.639 -0.739 2 1 277 . 1 1 A 30 30 SER CA C 30 57.000 58.432 -1.432 2 1 278 . 1 1 A 30 30 SER CB C 30 63.200 63.448 -0.248 2 1 279 . 1 1 A 30 30 SER N N 30 119.400 118.714 0.686 2 1 280 . 1 1 A 31 31 HIS H H 31 7.170 7.444 -0.273 2 1 281 . 1 1 A 31 31 HIS HA H 31 4.840 5.137 -0.297 2 1 284 . 1 1 A 31 31 HIS C C 31 171.900 173.383 -1.483 2 1 285 . 1 1 A 31 31 HIS CA C 31 53.200 54.065 -0.865 2 1 286 . 1 1 A 31 31 HIS CB C 31 31.100 32.329 -1.229 2 1 287 . 1 1 A 31 31 HIS N N 31 114.600 117.319 -2.719 2 1 288 . 1 1 A 32 32 ALA H H 32 8.930 8.470 0.460 2 1 289 . 1 1 A 32 32 ALA HA H 32 5.050 4.649 0.401 2 1 293 . 1 1 A 32 32 ALA C C 32 179.000 177.692 1.308 2 1 294 . 1 1 A 32 32 ALA CA C 32 53.700 52.644 1.056 2 1 295 . 1 1 A 32 32 ALA CB C 32 20.700 19.491 1.209 2 1 296 . 1 1 A 32 32 ALA N N 32 120.200 122.656 -2.456 2 1 297 . 1 1 A 33 33 ILE H H 33 8.280 8.667 -0.387 2 1 298 . 1 1 A 33 33 ILE HA H 33 5.520 5.106 0.413 2 1 308 . 1 1 A 33 33 ILE C C 33 173.400 174.411 -1.011 2 1 309 . 1 1 A 33 33 ILE CA C 33 59.500 59.306 0.194 2 1 310 . 1 1 A 33 33 ILE CB C 33 44.500 41.993 2.507 2 1 313 . 1 1 A 33 33 ILE N N 33 115.800 117.639 -1.839 2 1 314 . 1 1 A 34 34 ALA H H 34 8.900 9.063 -0.163 2 1 315 . 1 1 A 34 34 ALA HA H 34 5.290 5.410 -0.120 2 1 319 . 1 1 A 34 34 ALA C C 34 176.100 175.946 0.154 2 1 320 . 1 1 A 34 34 ALA CA C 34 51.100 50.403 0.697 2 1 321 . 1 1 A 34 34 ALA CB C 34 21.900 21.337 0.563 2 1 322 . 1 1 A 34 34 ALA N N 34 121.600 125.309 -3.709 2 1 323 . 1 1 A 35 35 PHE H H 35 8.580 8.330 0.250 2 1 324 . 1 1 A 35 35 PHE HA H 35 4.740 5.381 -0.641 2 1 330 . 1 1 A 35 35 PHE C C 35 170.000 172.630 -2.630 2 1 331 . 1 1 A 35 35 PHE CA C 35 57.100 55.540 1.560 2 1 332 . 1 1 A 35 35 PHE CB C 35 39.700 41.940 -2.240 2 1 336 . 1 1 A 35 35 PHE N N 35 116.600 117.847 -1.247 2 1 337 . 1 1 A 36 36 ALA H H 36 8.730 8.590 0.140 2 1 338 . 1 1 A 36 36 ALA HA H 36 5.170 5.035 0.135 2 1 342 . 1 1 A 36 36 ALA CA C 36 49.100 49.736 -0.636 2 1 343 . 1 1 A 36 36 ALA CB C 36 20.500 21.690 -1.190 2 1 344 . 1 1 A 36 36 ALA N N 36 123.400 121.712 1.688 2 1 345 . 1 1 A 37 37 PRO HA H 37 4.740 4.591 0.149 2 1 350 . 1 1 A 37 37 PRO C C 37 176.500 176.962 -0.462 2 1 351 . 1 1 A 37 37 PRO CA C 37 66.200 64.922 1.278 2 1 352 . 1 1 A 37 37 PRO CB C 37 33.600 31.827 1.773 2 1 354 . 1 1 A 38 38 GLU H H 38 7.450 8.284 -0.834 2 1 355 . 1 1 A 38 38 GLU HA H 38 4.790 4.628 0.162 2 1 360 . 1 1 A 38 38 GLU C C 38 177.300 175.808 1.492 2 1 361 . 1 1 A 38 38 GLU CA C 38 54.200 55.851 -1.651 2 1 362 . 1 1 A 38 38 GLU CB C 38 32.600 30.494 2.106 2 1 364 . 1 1 A 38 38 GLU N N 38 110.100 116.748 -6.648 2 1 365 . 1 1 A 39 39 GLY H H 39 8.600 8.067 0.533 2 1 366 . 1 1 A 39 39 GLY HA2 H 39 3.920 4.172 -0.252 2 1 367 . 1 1 A 39 39 GLY HA3 H 39 4.440 4.178 0.262 2 1 368 . 1 1 A 39 39 GLY CA C 39 44.400 44.810 -0.410 2 1 369 . 1 1 A 39 39 GLY N N 39 109.500 110.330 -0.830 2 1 370 . 1 1 A 40 40 PRO HA H 40 4.550 4.687 -0.137 2 1 375 . 1 1 A 40 40 PRO C C 40 177.100 175.619 1.481 2 1 376 . 1 1 A 40 40 PRO CA C 40 62.500 62.537 -0.037 2 1 377 . 1 1 A 40 40 PRO CB C 40 32.700 32.799 -0.099 2 1 378 . 1 1 A 41 41 VAL H H 41 8.530 8.509 0.021 2 1 379 . 1 1 A 41 41 VAL HA H 41 3.900 4.439 -0.539 2 1 387 . 1 1 A 41 41 VAL C C 41 175.200 175.212 -0.012 2 1 388 . 1 1 A 41 41 VAL CA C 41 63.000 61.346 1.654 2 1 389 . 1 1 A 41 41 VAL CB C 41 31.100 32.385 -1.285 2 1 392 . 1 1 A 41 41 VAL N N 41 123.000 120.635 2.365 2 1 393 . 1 1 A 42 42 ALA H H 42 8.320 9.259 -0.939 2 1 394 . 1 1 A 42 42 ALA HA H 42 4.750 5.052 -0.302 2 1 398 . 1 1 A 42 42 ALA C C 42 177.400 176.475 0.925 2 1 399 . 1 1 A 42 42 ALA CA C 42 50.800 50.704 0.096 2 1 400 . 1 1 A 42 42 ALA CB C 42 21.400 20.971 0.429 2 1 401 . 1 1 A 42 42 ALA N N 42 131.300 131.167 0.133 2 1 402 . 1 1 A 43 43 SER H H 43 8.660 8.724 -0.064 2 1 403 . 1 1 A 43 43 SER HA H 43 4.690 4.971 -0.281 2 1 406 . 1 1 A 43 43 SER CA C 43 59.000 58.008 0.992 2 1 407 . 1 1 A 43 43 SER CB C 43 62.800 64.258 -1.458 2 1 408 . 1 1 A 43 43 SER N N 43 115.400 117.420 -2.020 2 1 409 . 1 1 A 44 44 TRP HA H 44 5.470 5.026 0.444 2 1 418 . 1 1 A 44 44 TRP CA C 44 52.200 55.385 -3.185 2 1 419 . 1 1 A 44 44 TRP CB C 44 31.000 31.097 -0.097 2 1 426 . 1 1 A 45 45 PRO HA H 45 4.550 4.470 0.080 2 1 431 . 1 1 A 45 45 PRO C C 45 173.000 176.061 -3.061 2 1 432 . 1 1 A 45 45 PRO CA C 45 63.300 63.604 -0.304 2 1 433 . 1 1 A 45 45 PRO CB C 45 27.800 31.508 -3.708 2 1 435 . 1 1 A 46 46 VAL H H 46 8.390 7.633 0.757 2 1 436 . 1 1 A 46 46 VAL HA H 46 3.770 4.033 -0.263 2 1 444 . 1 1 A 46 46 VAL C C 46 174.100 175.629 -1.529 2 1 445 . 1 1 A 46 46 VAL CA C 46 61.100 61.573 -0.473 2 1 446 . 1 1 A 46 46 VAL CB C 46 35.200 32.032 3.168 2 1 449 . 1 1 A 46 46 VAL N N 46 124.300 120.759 3.541 2 1 450 . 1 1 A 47 47 GLN H H 47 8.970 8.750 0.220 2 1 451 . 1 1 A 47 47 GLN HA H 47 4.430 4.618 -0.188 2 1 456 . 1 1 A 47 47 GLN C C 47 175.100 175.485 -0.385 2 1 457 . 1 1 A 47 47 GLN CA C 47 56.400 56.424 -0.024 2 1 458 . 1 1 A 47 47 GLN CB C 47 30.900 30.512 0.388 2 1 459 . 1 1 A 47 47 GLN N N 47 122.000 126.175 -4.175 2 1 460 . 1 1 A 48 48 ARG H H 48 7.720 7.597 0.123 2 1 461 . 1 1 A 48 48 ARG HA H 48 4.750 4.745 0.004 2 1 468 . 1 1 A 48 48 ARG CA C 48 52.800 52.878 -0.078 2 1 469 . 1 1 A 48 48 ARG CB C 48 30.500 31.745 -1.245 2 1 471 . 1 1 A 48 48 ARG N N 48 116.600 117.998 -1.398 2 1 472 . 1 1 A 49 49 PRO HA H 49 3.750 4.439 -0.689 2 1 477 . 1 1 A 49 49 PRO C C 49 177.500 177.081 0.419 2 1 478 . 1 1 A 49 49 PRO CA C 49 65.400 64.230 1.170 2 1 479 . 1 1 A 49 49 PRO CB C 49 30.700 31.739 -1.039 2 1 481 . 1 1 A 50 50 ALA H H 50 7.960 8.235 -0.275 2 1 482 . 1 1 A 50 50 ALA HA H 50 4.010 4.132 -0.122 2 1 486 . 1 1 A 50 50 ALA C C 50 177.300 177.889 -0.589 2 1 487 . 1 1 A 50 50 ALA CA C 50 53.800 53.387 0.413 2 1 488 . 1 1 A 50 50 ALA CB C 50 18.500 18.960 -0.460 2 1 489 . 1 1 A 50 50 ALA N N 50 117.200 120.801 -3.601 2 1 490 . 1 1 A 51 51 ASP H H 51 7.570 7.783 -0.213 2 1 491 . 1 1 A 51 51 ASP HA H 51 4.410 4.610 -0.200 2 1 494 . 1 1 A 51 51 ASP C C 51 176.000 176.258 -0.258 2 1 495 . 1 1 A 51 51 ASP CA C 51 54.200 54.710 -0.510 2 1 496 . 1 1 A 51 51 ASP CB C 51 41.900 41.407 0.493 2 1 497 . 1 1 A 51 51 ASP N N 51 114.800 116.503 -1.703 2 1 498 . 1 1 A 52 52 ILE H H 52 7.290 7.332 -0.042 2 1 499 . 1 1 A 52 52 ILE HA H 52 3.100 3.914 -0.814 2 1 509 . 1 1 A 52 52 ILE C C 52 174.800 175.411 -0.611 2 1 510 . 1 1 A 52 52 ILE CA C 52 65.100 61.948 3.152 2 1 511 . 1 1 A 52 52 ILE CB C 52 37.100 37.843 -0.743 2 1 515 . 1 1 A 52 52 ILE N N 52 117.700 121.920 -4.220 2 1 516 . 1 1 A 53 53 THR H H 53 6.560 8.334 -1.774 2 1 517 . 1 1 A 53 53 THR HA H 53 4.720 4.874 -0.154 2 1 522 . 1 1 A 53 53 THR C C 53 174.600 175.544 -0.944 2 1 523 . 1 1 A 53 53 THR CA C 53 58.500 60.001 -1.501 2 1 524 . 1 1 A 53 53 THR CB C 53 72.900 71.995 0.905 2 1 526 . 1 1 A 53 53 THR N N 53 117.300 119.337 -2.037 2 1 527 . 1 1 A 54 54 ALA H H 54 9.340 9.111 0.229 2 1 528 . 1 1 A 54 54 ALA HA H 54 4.460 4.081 0.379 2 1 532 . 1 1 A 54 54 ALA C C 54 167.400 179.847 -12.447 2 1 533 . 1 1 A 54 54 ALA CA C 54 55.800 55.583 0.217 2 1 534 . 1 1 A 54 54 ALA CB C 54 18.200 18.183 0.017 2 1 535 . 1 1 A 54 54 ALA N N 54 123.800 125.497 -1.697 2 1 536 . 1 1 A 55 55 SER H H 55 8.530 8.129 0.401 2 1 537 . 1 1 A 55 55 SER HA H 55 4.280 4.162 0.118 2 1 541 . 1 1 A 55 55 SER C C 55 177.700 176.520 1.180 2 1 542 . 1 1 A 55 55 SER CA C 55 61.600 62.022 -0.422 2 1 543 . 1 1 A 55 55 SER CB C 55 62.600 62.919 -0.319 2 1 544 . 1 1 A 55 55 SER N N 55 112.600 113.717 -1.117 2 1 545 . 1 1 A 56 56 LEU H H 56 7.810 8.083 -0.273 2 1 546 . 1 1 A 56 56 LEU HA H 56 4.280 4.104 0.176 2 1 556 . 1 1 A 56 56 LEU C C 56 168.100 179.826 -11.726 2 1 557 . 1 1 A 56 56 LEU CA C 56 57.900 57.770 0.130 2 1 558 . 1 1 A 56 56 LEU CB C 56 42.100 41.177 0.923 2 1 562 . 1 1 A 56 56 LEU N N 56 122.500 121.131 1.369 2 1 563 . 1 1 A 57 57 LEU H H 57 8.490 8.141 0.349 2 1 564 . 1 1 A 57 57 LEU HA H 57 4.180 4.110 0.070 2 1 574 . 1 1 A 57 57 LEU C C 57 178.000 179.353 -1.353 2 1 575 . 1 1 A 57 57 LEU CA C 57 58.300 58.134 0.166 2 1 576 . 1 1 A 57 57 LEU CB C 57 41.200 40.996 0.204 2 1 580 . 1 1 A 57 57 LEU N N 57 123.900 119.961 3.939 2 1 581 . 1 1 A 58 58 GLN H H 58 8.500 8.347 0.153 2 1 582 . 1 1 A 58 58 GLN HA H 58 3.680 4.025 -0.345 2 1 589 . 1 1 A 58 58 GLN C C 58 178.200 179.009 -0.809 2 1 590 . 1 1 A 58 58 GLN CA C 58 60.200 59.280 0.920 2 1 591 . 1 1 A 58 58 GLN CB C 58 28.500 28.216 0.284 2 1 593 . 1 1 A 58 58 GLN N N 58 118.800 118.912 -0.112 2 1 595 . 1 1 A 59 59 GLN H H 59 8.300 7.828 0.472 2 1 596 . 1 1 A 59 59 GLN HA H 59 4.090 4.078 0.012 2 1 601 . 1 1 A 59 59 GLN C C 59 179.900 178.636 1.264 2 1 602 . 1 1 A 59 59 GLN CA C 59 58.900 58.775 0.125 2 1 603 . 1 1 A 59 59 GLN CB C 59 28.800 28.521 0.279 2 1 605 . 1 1 A 59 59 GLN N N 59 118.600 119.239 -0.639 2 1 606 . 1 1 A 60 60 ALA H H 60 7.850 8.170 -0.320 2 1 607 . 1 1 A 60 60 ALA HA H 60 3.580 3.975 -0.395 2 1 611 . 1 1 A 60 60 ALA C C 60 176.700 179.426 -2.726 2 1 612 . 1 1 A 60 60 ALA CA C 60 54.700 54.122 0.578 2 1 613 . 1 1 A 60 60 ALA CB C 60 17.400 17.973 -0.573 2 1 614 . 1 1 A 60 60 ALA N N 60 122.500 121.940 0.560 2 1 615 . 1 1 A 61 61 ALA H H 61 7.540 7.425 0.115 2 1 616 . 1 1 A 61 61 ALA HA H 61 3.970 4.272 -0.302 2 1 620 . 1 1 A 61 61 ALA C C 61 176.300 177.844 -1.544 2 1 621 . 1 1 A 61 61 ALA CA C 61 52.400 52.033 0.367 2 1 622 . 1 1 A 61 61 ALA CB C 61 19.100 19.333 -0.233 2 1 623 . 1 1 A 61 61 ALA N N 61 113.700 118.079 -4.379 2 1 624 . 1 1 A 62 62 GLY H H 62 7.600 7.754 -0.154 2 1 625 . 1 1 A 62 62 GLY HA2 H 62 3.890 3.936 -0.046 2 1 626 . 1 1 A 62 62 GLY HA3 H 62 3.980 3.943 0.037 2 1 627 . 1 1 A 62 62 GLY C C 62 175.400 175.254 0.146 2 1 628 . 1 1 A 62 62 GLY CA C 62 45.800 46.029 -0.229 2 1 629 . 1 1 A 62 62 GLY N N 62 104.800 106.524 -1.724 2 1 630 . 1 1 A 63 63 LEU H H 63 7.770 7.865 -0.095 2 1 631 . 1 1 A 63 63 LEU HA H 63 4.430 4.328 0.102 2 1 640 . 1 1 A 63 63 LEU C C 63 176.400 176.994 -0.594 2 1 641 . 1 1 A 63 63 LEU CA C 63 54.000 55.383 -1.383 2 1 642 . 1 1 A 63 63 LEU CB C 63 42.500 41.348 1.152 2 1 645 . 1 1 A 63 63 LEU N N 63 119.100 119.788 -0.688 2 1 646 . 1 1 A 64 64 ALA H H 64 8.060 7.734 0.326 2 1 647 . 1 1 A 64 64 ALA HA H 64 4.160 4.442 -0.282 2 1 651 . 1 1 A 64 64 ALA C C 64 177.300 176.999 0.301 2 1 652 . 1 1 A 64 64 ALA CA C 64 52.700 52.074 0.626 2 1 653 . 1 1 A 64 64 ALA CB C 64 19.700 19.567 0.133 2 1 654 . 1 1 A 64 64 ALA N N 64 122.900 121.878 1.022 2 1 655 . 1 1 A 65 65 GLU H H 65 8.260 8.222 0.038 2 1 656 . 1 1 A 65 65 GLU C C 65 176.300 176.012 0.288 2 1 657 . 1 1 A 65 65 GLU CA C 65 56.400 56.384 0.016 2 1 658 . 1 1 A 65 65 GLU CB C 65 30.100 30.672 -0.573 2 1 659 . 1 1 A 65 65 GLU N N 65 118.900 120.348 -1.448 2 1 660 . 1 1 A 66 66 VAL H H 66 7.960 8.388 -0.428 2 1 661 . 1 1 A 66 66 VAL HA H 66 4.020 4.325 -0.305 2 1 663 . 1 1 A 66 66 VAL C C 66 175.900 175.635 0.265 2 1 664 . 1 1 A 66 66 VAL CA C 66 62.300 62.197 0.103 2 1 665 . 1 1 A 66 66 VAL CB C 66 32.800 32.788 0.012 2 1 666 . 1 1 A 66 66 VAL N N 66 121.500 123.242 -1.742 2 1 667 . 1 1 A 67 67 VAL H H 67 8.210 8.564 -0.354 2 1 668 . 1 1 A 67 67 VAL C C 67 175.800 175.889 -0.089 2 1 669 . 1 1 A 67 67 VAL CA C 67 62.200 62.640 -0.440 2 1 670 . 1 1 A 67 67 VAL CB C 67 32.600 32.176 0.424 2 1 671 . 1 1 A 67 67 VAL N N 67 124.900 125.419 -0.519 2 1 672 . 1 1 A 68 68 ARG H H 68 8.380 8.572 -0.192 2 1 673 . 1 1 A 68 68 ARG HA H 68 4.270 4.425 -0.155 2 1 674 . 1 1 A 68 68 ARG C C 68 175.400 175.526 -0.126 2 1 675 . 1 1 A 68 68 ARG CA C 68 55.700 56.420 -0.720 2 1 676 . 1 1 A 68 68 ARG CB C 68 31.100 30.552 0.548 2 1 677 . 1 1 A 68 68 ARG N N 68 125.900 124.267 1.633 2 1 678 . 1 1 A 69 69 ASP H H 69 8.390 8.183 0.207 2 1 679 . 1 1 A 69 69 ASP HA H 69 4.800 4.813 -0.013 2 1 682 . 1 1 A 69 69 ASP CA C 69 51.700 52.788 -1.088 2 1 683 . 1 1 A 69 69 ASP CB C 69 41.700 41.282 0.418 2 1 684 . 1 1 A 69 69 ASP N N 69 123.600 120.841 2.759 2 1 685 . 1 1 A 70 70 PRO HA H 70 4.290 4.545 -0.255 2 1 688 . 1 1 A 70 70 PRO C C 70 177.500 177.096 0.404 2 1 689 . 1 1 A 70 70 PRO CA C 70 64.100 63.121 0.979 2 1 690 . 1 1 A 70 70 PRO CB C 70 32.300 31.900 0.400 2 1 691 . 1 1 A 71 71 LEU H H 71 8.280 8.269 0.011 2 1 692 . 1 1 A 71 71 LEU HA H 71 4.260 4.133 0.127 2 1 698 . 1 1 A 71 71 LEU C C 71 177.600 177.030 0.570 2 1 699 . 1 1 A 71 71 LEU CA C 71 55.100 56.386 -1.286 2 1 700 . 1 1 A 71 71 LEU CB C 71 41.200 42.107 -0.907 2 1 702 . 1 1 A 71 71 LEU N N 71 118.400 120.477 -2.077 2 1 703 . 1 1 A 72 72 ALA H H 72 7.660 7.612 0.048 2 1 704 . 1 1 A 72 72 ALA HA H 72 4.170 4.307 -0.137 2 1 708 . 1 1 A 72 72 ALA C C 72 177.400 176.660 0.740 2 1 709 . 1 1 A 72 72 ALA CA C 72 52.600 51.587 1.013 2 1 710 . 1 1 A 72 72 ALA CB C 72 19.200 19.558 -0.358 2 1 711 . 1 1 A 72 72 ALA N N 72 122.900 120.403 2.497 2 1 712 . 1 1 A 73 73 PHE H H 73 7.940 8.363 -0.423 2 1 713 . 1 1 A 73 73 PHE HA H 73 4.510 4.678 -0.168 2 1 717 . 1 1 A 73 73 PHE C C 73 175.600 175.607 -0.007 2 1 718 . 1 1 A 73 73 PHE CA C 73 57.800 58.191 -0.391 2 1 719 . 1 1 A 73 73 PHE CB C 73 39.100 40.051 -0.951 2 1 720 . 1 1 A 73 73 PHE N N 73 118.200 119.462 -1.262 2 1 721 . 1 1 A 74 74 LEU H H 74 7.890 8.361 -0.471 2 1 722 . 1 1 A 74 74 LEU CA C 74 55.200 55.051 0.149 2 1 723 . 1 1 A 74 74 LEU CB C 74 42.400 43.175 -0.775 2 1 724 . 1 1 A 74 74 LEU N N 74 122.600 122.443 0.157 2 1 725 . 1 1 A 78 78 GLU C C 78 176.600 176.430 0.170 2 1 726 . 1 1 A 78 78 GLU CA C 78 57.500 56.958 0.542 2 1 727 . 1 1 A 78 78 GLU CB C 78 30.100 30.600 -0.500 2 1 728 . 1 1 A 79 79 ALA H H 79 8.460 8.340 0.120 2 1 729 . 1 1 A 79 79 ALA C C 79 178.300 177.958 0.342 2 1 730 . 1 1 A 79 79 ALA CA C 79 52.900 52.121 0.779 2 1 731 . 1 1 A 79 79 ALA CB C 79 19.200 19.559 -0.359 2 1 732 . 1 1 A 79 79 ALA N N 79 124.700 124.291 0.409 2 1 733 . 1 1 A 80 80 GLY H H 80 8.330 8.379 -0.049 2 1 734 . 1 1 A 80 80 GLY C C 80 174.100 174.196 -0.096 2 1 735 . 1 1 A 80 80 GLY CA C 80 45.100 46.159 -1.059 2 1 736 . 1 1 A 80 80 GLY N N 80 108.200 108.198 0.002 2 1 737 . 1 1 A 81 81 ALA H H 81 8.140 8.087 0.053 2 1 738 . 1 1 A 81 81 ALA HA H 81 4.170 4.444 -0.274 2 1 739 . 1 1 A 81 81 ALA C C 81 178.400 177.513 0.887 2 1 740 . 1 1 A 81 81 ALA CA C 81 52.800 52.352 0.448 2 1 741 . 1 1 A 81 81 ALA CB C 81 19.200 19.838 -0.638 2 1 742 . 1 1 A 81 81 ALA N N 81 123.600 123.906 -0.306 2 1 743 . 1 1 A 82 82 GLY H H 82 8.400 8.418 -0.018 2 1 744 . 1 1 A 82 82 GLY HA2 H 82 3.860 4.004 -0.144 2 1 745 . 1 1 A 82 82 GLY HA3 H 82 2.880 4.005 -1.125 2 1 746 . 1 1 A 82 82 GLY C C 82 173.600 174.244 -0.644 2 1 747 . 1 1 A 82 82 GLY CA C 82 45.200 45.568 -0.368 2 1 748 . 1 1 A 82 82 GLY N N 82 108.000 108.285 -0.285 2 1 749 . 1 1 A 83 83 ALA H H 83 7.980 8.188 -0.209 2 1 750 . 1 1 A 83 83 ALA HA H 83 4.280 4.348 -0.068 2 1 754 . 1 1 A 83 83 ALA C C 83 177.200 176.647 0.553 2 1 755 . 1 1 A 83 83 ALA CA C 83 52.100 52.604 -0.504 2 1 756 . 1 1 A 83 83 ALA CB C 83 19.500 19.554 -0.054 2 1 757 . 1 1 A 83 83 ALA N N 83 123.300 122.553 0.747 2 1 758 . 1 1 A 84 84 ARG H H 84 8.240 8.123 0.117 2 1 759 . 1 1 A 84 84 ARG HA H 84 4.610 4.750 -0.140 2 1 762 . 1 1 A 84 84 ARG CA C 84 54.000 53.221 0.779 2 1 763 . 1 1 A 84 84 ARG CB C 84 30.500 31.399 -0.899 2 1 764 . 1 1 A 84 84 ARG N N 84 121.700 118.897 2.802 2 1 765 . 1 1 A 85 85 PRO HA H 85 4.390 4.462 -0.072 2 1 770 . 1 1 A 85 85 PRO C C 85 177.000 176.973 0.027 2 1 771 . 1 1 A 85 85 PRO CA C 85 62.900 63.985 -1.085 2 1 772 . 1 1 A 85 85 PRO CB C 85 32.200 31.747 0.453 2 1 773 . 1 1 A 86 86 ALA H H 86 8.600 8.307 0.293 2 1 774 . 1 1 A 86 86 ALA HA H 86 4.150 4.235 -0.085 2 1 778 . 1 1 A 86 86 ALA C C 86 177.800 177.554 0.246 2 1 779 . 1 1 A 86 86 ALA CA C 86 53.400 52.997 0.403 2 1 780 . 1 1 A 86 86 ALA CB C 86 18.900 18.598 0.302 2 1 781 . 1 1 A 86 86 ALA N N 86 124.900 121.469 3.432 2 1 782 . 1 1 A 87 87 ASN H H 87 8.380 8.150 0.230 2 1 783 . 1 1 A 87 87 ASN HA H 87 4.590 4.625 -0.035 2 1 786 . 1 1 A 87 87 ASN C C 87 174.400 174.971 -0.571 2 1 787 . 1 1 A 87 87 ASN CA C 87 52.600 54.130 -1.530 2 1 788 . 1 1 A 87 87 ASN CB C 87 38.300 38.133 0.167 2 1 789 . 1 1 A 87 87 ASN N N 87 114.900 115.495 -0.595 2 1 790 . 1 1 A 88 88 ALA H H 88 7.800 7.633 0.167 2 1 791 . 1 1 A 88 88 ALA HA H 88 4.400 4.489 -0.089 2 1 795 . 1 1 A 88 88 ALA CA C 88 50.400 50.726 -0.326 2 1 796 . 1 1 A 88 88 ALA CB C 88 17.900 19.150 -1.250 2 1 797 . 1 1 A 88 88 ALA N N 88 123.600 121.831 1.769 2 1 798 . 1 1 A 89 89 PRO HA H 89 4.390 4.538 -0.148 2 1 805 . 1 1 A 89 89 PRO C C 89 175.000 177.402 -2.402 2 1 806 . 1 1 A 89 89 PRO CA C 89 62.400 63.004 -0.604 2 1 807 . 1 1 A 89 89 PRO CB C 89 31.700 32.390 -0.690 2 1 810 . 1 1 A 90 90 GLU H H 90 9.000 8.871 0.129 2 1 811 . 1 1 A 90 90 GLU HA H 90 4.310 4.236 0.074 2 1 814 . 1 1 A 90 90 GLU C C 90 177.300 176.149 1.151 2 1 815 . 1 1 A 90 90 GLU CA C 90 58.000 59.146 -1.146 2 1 816 . 1 1 A 90 90 GLU CB C 90 31.400 31.070 0.330 2 1 817 . 1 1 A 90 90 GLU N N 90 117.700 121.224 -3.524 2 1 818 . 1 1 A 91 91 VAL H H 91 7.310 7.477 -0.167 2 1 819 . 1 1 A 91 91 VAL HA H 91 4.570 4.874 -0.304 2 1 827 . 1 1 A 91 91 VAL C C 91 171.000 173.229 -2.229 2 1 828 . 1 1 A 91 91 VAL CA C 91 59.700 59.917 -0.217 2 1 829 . 1 1 A 91 91 VAL CB C 91 35.600 35.509 0.091 2 1 832 . 1 1 A 91 91 VAL N N 91 115.900 117.161 -1.261 2 1 833 . 1 1 A 92 92 LEU H H 92 8.700 9.410 -0.710 2 1 834 . 1 1 A 92 92 LEU HA H 92 4.950 5.309 -0.359 2 1 844 . 1 1 A 92 92 LEU C C 92 174.300 174.554 -0.254 2 1 845 . 1 1 A 92 92 LEU CA C 92 52.700 53.314 -0.614 2 1 846 . 1 1 A 92 92 LEU CB C 92 44.100 45.055 -0.955 2 1 850 . 1 1 A 92 92 LEU N N 92 128.500 129.433 -0.933 2 1 851 . 1 1 A 93 93 LEU H H 93 8.770 9.533 -0.763 2 1 852 . 1 1 A 93 93 LEU HA H 93 4.910 5.098 -0.188 2 1 862 . 1 1 A 93 93 LEU C C 93 174.900 175.442 -0.542 2 1 863 . 1 1 A 93 93 LEU CA C 93 52.600 53.406 -0.806 2 1 864 . 1 1 A 93 93 LEU CB C 93 44.300 42.393 1.907 2 1 868 . 1 1 A 93 93 LEU N N 93 127.300 128.472 -1.172 2 1 869 . 1 1 A 94 94 VAL H H 94 8.800 9.301 -0.501 2 1 870 . 1 1 A 94 94 VAL HA H 94 4.880 4.575 0.305 2 1 878 . 1 1 A 94 94 VAL C C 94 175.000 175.302 -0.302 2 1 879 . 1 1 A 94 94 VAL CA C 94 60.000 61.062 -1.062 2 1 880 . 1 1 A 94 94 VAL CB C 94 33.900 32.850 1.050 2 1 883 . 1 1 A 94 94 VAL N N 94 122.000 126.064 -4.064 2 1 884 . 1 1 A 95 95 GLY H H 95 9.730 9.398 0.332 2 1 885 . 1 1 A 95 95 GLY HA2 H 95 3.240 4.043 -0.803 2 1 886 . 1 1 A 95 95 GLY HA3 H 95 4.940 4.056 0.884 2 1 887 . 1 1 A 95 95 GLY C C 95 175.000 174.899 0.101 2 1 888 . 1 1 A 95 95 GLY CA C 95 45.500 45.651 -0.151 2 1 889 . 1 1 A 95 95 GLY N N 95 114.000 115.821 -1.821 2 1 890 . 1 1 A 96 96 THR H H 96 9.320 8.836 0.484 2 1 891 . 1 1 A 96 96 THR HA H 96 4.210 4.459 -0.249 2 1 896 . 1 1 A 96 96 THR C C 96 173.000 175.442 -2.442 2 1 897 . 1 1 A 96 96 THR CA C 96 61.800 62.708 -0.908 2 1 898 . 1 1 A 96 96 THR CB C 96 67.600 69.514 -1.914 2 1 900 . 1 1 A 96 96 THR N N 96 113.800 117.418 -3.618 2 1 901 . 1 1 A 97 97 GLY H H 97 8.600 8.165 0.435 2 1 902 . 1 1 A 97 97 GLY HA2 H 97 3.580 3.931 -0.351 2 1 903 . 1 1 A 97 97 GLY HA3 H 97 4.500 3.941 0.559 2 1 904 . 1 1 A 97 97 GLY C C 97 174.800 175.130 -0.330 2 1 905 . 1 1 A 97 97 GLY CA C 97 44.000 46.840 -2.840 2 1 906 . 1 1 A 97 97 GLY N N 97 110.900 111.230 -0.330 2 1 907 . 1 1 A 98 98 ARG H H 98 9.400 8.360 1.040 2 1 908 . 1 1 A 98 98 ARG HA H 98 4.110 4.245 -0.135 2 1 911 . 1 1 A 98 98 ARG C C 98 175.700 176.034 -0.334 2 1 912 . 1 1 A 98 98 ARG CA C 98 58.800 57.898 0.902 2 1 913 . 1 1 A 98 98 ARG CB C 98 30.700 30.945 -0.245 2 1 914 . 1 1 A 98 98 ARG N N 98 125.500 123.352 2.148 2 1 915 . 1 1 A 99 99 ARG H H 99 8.180 7.754 0.426 2 1 916 . 1 1 A 99 99 ARG HA H 99 4.640 4.657 -0.018 2 1 919 . 1 1 A 99 99 ARG C C 99 175.000 174.677 0.323 2 1 920 . 1 1 A 99 99 ARG CA C 99 53.100 55.319 -2.219 2 1 921 . 1 1 A 99 99 ARG CB C 99 33.200 32.698 0.502 2 1 922 . 1 1 A 99 99 ARG N N 99 114.300 117.862 -3.561 2 1 923 . 1 1 A 100 100 GLN H H 100 8.710 8.554 0.156 2 1 924 . 1 1 A 100 100 GLN HA H 100 3.620 4.714 -1.094 2 1 929 . 1 1 A 100 100 GLN C C 100 173.900 174.965 -1.065 2 1 930 . 1 1 A 100 100 GLN CA C 100 56.400 55.829 0.571 2 1 931 . 1 1 A 100 100 GLN CB C 100 29.600 28.949 0.651 2 1 933 . 1 1 A 100 100 GLN N N 100 121.700 123.687 -1.987 2 1 934 . 1 1 A 101 101 HIS H H 101 7.900 8.881 -0.981 2 1 935 . 1 1 A 101 101 HIS HA H 101 4.530 5.016 -0.486 2 1 939 . 1 1 A 101 101 HIS C C 101 173.100 174.184 -1.084 2 1 940 . 1 1 A 101 101 HIS CA C 101 55.100 54.542 0.558 2 1 941 . 1 1 A 101 101 HIS CB C 101 32.100 31.575 0.525 2 1 942 . 1 1 A 101 101 HIS N N 101 130.600 126.008 4.592 2 1 943 . 1 1 A 102 102 LEU H H 102 8.080 8.553 -0.473 2 1 944 . 1 1 A 102 102 LEU HA H 102 4.060 4.387 -0.327 2 1 948 . 1 1 A 102 102 LEU C C 102 177.200 176.410 0.790 2 1 949 . 1 1 A 102 102 LEU CA C 102 54.900 54.925 -0.025 2 1 950 . 1 1 A 102 102 LEU CB C 102 41.600 42.306 -0.706 2 1 951 . 1 1 A 102 102 LEU N N 102 121.400 127.712 -6.312 2 1 952 . 1 1 A 103 103 LEU H H 103 8.260 8.596 -0.336 2 1 953 . 1 1 A 103 103 LEU HA H 103 4.490 4.562 -0.072 2 1 963 . 1 1 A 103 103 LEU C C 103 177.100 176.972 0.128 2 1 964 . 1 1 A 103 103 LEU CA C 103 53.400 54.357 -0.957 2 1 965 . 1 1 A 103 103 LEU CB C 103 42.600 42.554 0.046 2 1 969 . 1 1 A 103 103 LEU N N 103 123.000 126.308 -3.308 2 1 970 . 1 1 A 104 104 GLY H H 104 8.820 8.646 0.174 2 1 971 . 1 1 A 104 104 GLY HA2 H 104 3.930 4.215 -0.285 2 1 972 . 1 1 A 104 104 GLY HA3 H 104 4.440 4.224 0.216 2 1 973 . 1 1 A 104 104 GLY CA C 104 44.500 43.735 0.765 2 1 974 . 1 1 A 104 104 GLY N N 104 110.200 109.107 1.093 2 1 975 . 1 1 A 105 105 PRO HA H 105 4.230 4.279 -0.049 2 1 978 . 1 1 A 105 105 PRO C C 105 178.900 178.155 0.745 2 1 979 . 1 1 A 105 105 PRO CA C 105 65.200 65.104 0.096 2 1 980 . 1 1 A 105 105 PRO CB C 105 31.900 31.803 0.097 2 1 981 . 1 1 A 106 106 GLU H H 106 9.150 8.444 0.706 2 1 982 . 1 1 A 106 106 GLU HA H 106 4.080 4.116 -0.036 2 1 987 . 1 1 A 106 106 GLU C C 106 178.500 178.563 -0.063 2 1 988 . 1 1 A 106 106 GLU CA C 106 58.600 58.991 -0.391 2 1 989 . 1 1 A 106 106 GLU CB C 106 28.500 29.213 -0.713 2 1 991 . 1 1 A 106 106 GLU N N 106 115.400 117.490 -2.090 2 1 992 . 1 1 A 107 107 GLN H H 107 7.680 7.889 -0.209 2 1 993 . 1 1 A 107 107 GLN HA H 107 4.160 4.261 -0.101 2 1 998 . 1 1 A 107 107 GLN C C 107 175.200 177.652 -2.452 2 1 999 . 1 1 A 107 107 GLN CA C 107 58.500 57.834 0.666 2 1 1000 . 1 1 A 107 107 GLN CB C 107 29.400 29.271 0.129 2 1 1002 . 1 1 A 107 107 GLN N N 107 116.100 118.202 -2.102 2 1 1003 . 1 1 A 108 108 VAL H H 108 7.080 7.506 -0.426 2 1 1004 . 1 1 A 108 108 VAL HA H 108 4.270 4.131 0.139 2 1 1012 . 1 1 A 108 108 VAL C C 108 177.500 177.407 0.093 2 1 1013 . 1 1 A 108 108 VAL CA C 108 62.000 63.018 -1.018 2 1 1014 . 1 1 A 108 108 VAL CB C 108 33.000 31.889 1.111 2 1 1017 . 1 1 A 108 108 VAL N N 108 104.800 115.115 -10.315 2 1 1018 . 1 1 A 109 109 ARG H H 109 8.220 7.857 0.363 2 1 1019 . 1 1 A 109 109 ARG HA H 109 4.060 4.113 -0.053 2 1 1024 . 1 1 A 109 109 ARG CA C 109 61.700 61.181 0.520 2 1 1025 . 1 1 A 109 109 ARG CB C 109 27.600 28.327 -0.727 2 1 1027 . 1 1 A 109 109 ARG N N 109 123.100 122.834 0.266 2 1 1028 . 1 1 A 110 110 PRO HA H 110 4.290 4.366 -0.076 2 1 1035 . 1 1 A 110 110 PRO C C 110 173.000 179.113 -6.113 2 1 1036 . 1 1 A 110 110 PRO CA C 110 65.800 65.594 0.206 2 1 1037 . 1 1 A 110 110 PRO CB C 110 31.400 30.943 0.457 2 1 1040 . 1 1 A 111 111 LEU H H 111 7.080 7.572 -0.491 2 1 1041 . 1 1 A 111 111 LEU HA H 111 4.050 4.052 -0.002 2 1 1051 . 1 1 A 111 111 LEU C C 111 178.800 179.119 -0.319 2 1 1052 . 1 1 A 111 111 LEU CA C 111 57.400 57.491 -0.091 2 1 1053 . 1 1 A 111 111 LEU CB C 111 40.100 41.619 -1.519 2 1 1056 . 1 1 A 111 111 LEU N N 111 117.700 117.149 0.551 2 1 1057 . 1 1 A 112 112 LEU H H 112 7.950 8.408 -0.458 2 1 1058 . 1 1 A 112 112 LEU HA H 112 4.050 4.000 0.050 2 1 1068 . 1 1 A 112 112 LEU C C 112 169.000 179.363 -10.363 2 1 1069 . 1 1 A 112 112 LEU CA C 112 58.000 57.787 0.213 2 1 1070 . 1 1 A 112 112 LEU CB C 112 41.100 40.658 0.442 2 1 1074 . 1 1 A 112 112 LEU N N 112 121.700 119.313 2.387 2 1 1075 . 1 1 A 113 113 ALA H H 113 8.230 8.113 0.117 2 1 1076 . 1 1 A 113 113 ALA HA H 113 4.110 4.107 0.003 2 1 1080 . 1 1 A 113 113 ALA C C 113 178.700 179.172 -0.472 2 1 1081 . 1 1 A 113 113 ALA CA C 113 54.400 54.646 -0.246 2 1 1082 . 1 1 A 113 113 ALA CB C 113 18.100 18.205 -0.105 2 1 1083 . 1 1 A 113 113 ALA N N 113 120.900 122.314 -1.414 2 1 1084 . 1 1 A 114 114 MET H H 114 7.270 7.668 -0.398 2 1 1085 . 1 1 A 114 114 MET HA H 114 4.490 4.446 0.044 2 1 1093 . 1 1 A 114 114 MET C C 114 175.100 176.427 -1.327 2 1 1094 . 1 1 A 114 114 MET CA C 114 55.100 56.032 -0.933 2 1 1095 . 1 1 A 114 114 MET CB C 114 33.700 33.192 0.508 2 1 1098 . 1 1 A 114 114 MET N N 114 115.100 115.548 -0.448 2 1 1099 . 1 1 A 115 115 GLY H H 115 7.830 7.903 -0.073 2 1 1100 . 1 1 A 115 115 GLY HA2 H 115 3.660 4.013 -0.353 2 1 1101 . 1 1 A 115 115 GLY HA3 H 115 4.060 4.014 0.046 2 1 1102 . 1 1 A 115 115 GLY C C 115 173.700 174.377 -0.677 2 1 1103 . 1 1 A 115 115 GLY CA C 115 45.600 45.024 0.576 2 1 1104 . 1 1 A 115 115 GLY N N 115 106.300 106.381 -0.081 2 1 1105 . 1 1 A 116 116 VAL H H 116 7.710 7.822 -0.112 2 1 1106 . 1 1 A 116 116 VAL HA H 116 3.820 4.095 -0.275 2 1 1114 . 1 1 A 116 116 VAL C C 116 174.800 175.520 -0.720 2 1 1115 . 1 1 A 116 116 VAL CA C 116 61.200 62.536 -1.336 2 1 1116 . 1 1 A 116 116 VAL CB C 116 32.800 31.759 1.041 2 1 1119 . 1 1 A 116 116 VAL N N 116 123.600 122.264 1.336 2 1 1120 . 1 1 A 117 117 GLY H H 117 7.730 9.056 -1.326 2 1 1121 . 1 1 A 117 117 GLY HA2 H 117 3.570 4.010 -0.440 2 1 1122 . 1 1 A 117 117 GLY HA3 H 117 4.040 4.012 0.028 2 1 1123 . 1 1 A 117 117 GLY C C 117 172.600 173.132 -0.532 2 1 1124 . 1 1 A 117 117 GLY CA C 117 45.500 45.483 0.017 2 1 1125 . 1 1 A 117 117 GLY N N 117 111.400 115.025 -3.625 2 1 1126 . 1 1 A 118 118 VAL H H 118 7.740 8.885 -1.145 2 1 1127 . 1 1 A 118 118 VAL HA H 118 5.100 4.676 0.424 2 1 1135 . 1 1 A 118 118 VAL C C 118 175.500 175.209 0.291 2 1 1136 . 1 1 A 118 118 VAL CA C 118 61.000 62.045 -1.045 2 1 1137 . 1 1 A 118 118 VAL CB C 118 34.300 32.478 1.822 2 1 1140 . 1 1 A 118 118 VAL N N 118 120.900 126.297 -5.397 2 1 1141 . 1 1 A 119 119 GLU H H 119 8.490 9.298 -0.808 2 1 1142 . 1 1 A 119 119 GLU HA H 119 4.630 4.965 -0.335 2 1 1147 . 1 1 A 119 119 GLU C C 119 173.500 175.116 -1.616 2 1 1148 . 1 1 A 119 119 GLU CA C 119 54.600 54.811 -0.211 2 1 1149 . 1 1 A 119 119 GLU CB C 119 32.300 32.416 -0.116 2 1 1151 . 1 1 A 119 119 GLU N N 119 127.000 127.079 -0.079 2 1 1152 . 1 1 A 120 120 ALA H H 120 8.600 8.942 -0.342 2 1 1153 . 1 1 A 120 120 ALA HA H 120 5.530 5.245 0.285 2 1 1157 . 1 1 A 120 120 ALA C C 120 177.100 176.561 0.539 2 1 1158 . 1 1 A 120 120 ALA CA C 120 50.300 50.623 -0.323 2 1 1159 . 1 1 A 120 120 ALA CB C 120 20.800 20.635 0.165 2 1 1160 . 1 1 A 120 120 ALA N N 120 126.500 127.202 -0.702 2 1 1161 . 1 1 A 121 121 MET H H 121 9.430 9.081 0.349 2 1 1162 . 1 1 A 121 121 MET HA H 121 4.630 5.012 -0.382 2 1 1170 . 1 1 A 121 121 MET C C 121 173.300 174.689 -1.389 2 1 1171 . 1 1 A 121 121 MET CA C 121 54.600 54.176 0.424 2 1 1172 . 1 1 A 121 121 MET CB C 121 36.800 37.092 -0.292 2 1 1175 . 1 1 A 121 121 MET N N 121 120.400 121.321 -0.921 2 1 1176 . 1 1 A 122 122 ASP H H 122 8.460 8.768 -0.308 2 1 1177 . 1 1 A 122 122 ASP HA H 122 4.170 4.760 -0.590 2 1 1180 . 1 1 A 122 122 ASP C C 122 175.200 177.565 -2.365 2 1 1181 . 1 1 A 122 122 ASP CA C 122 55.000 54.271 0.729 2 1 1182 . 1 1 A 122 122 ASP CB C 122 41.000 41.954 -0.954 2 1 1183 . 1 1 A 122 122 ASP N N 122 116.700 121.009 -4.309 2 1 1184 . 1 1 A 123 123 THR H H 123 9.580 8.797 0.783 2 1 1185 . 1 1 A 123 123 THR HA H 123 3.670 3.898 -0.228 2 1 1191 . 1 1 A 123 123 THR C C 123 174.400 176.236 -1.836 2 1 1192 . 1 1 A 123 123 THR CA C 123 68.700 66.485 2.215 2 1 1193 . 1 1 A 123 123 THR CB C 123 68.800 68.857 -0.057 2 1 1195 . 1 1 A 123 123 THR N N 123 119.600 117.540 2.060 2 1 1196 . 1 1 A 124 124 GLN H H 124 8.580 7.975 0.605 2 1 1197 . 1 1 A 124 124 GLN HA H 124 3.240 3.813 -0.573 2 1 1202 . 1 1 A 124 124 GLN C C 124 177.700 177.780 -0.080 2 1 1203 . 1 1 A 124 124 GLN CA C 124 60.100 58.426 1.674 2 1 1204 . 1 1 A 124 124 GLN CB C 124 27.400 28.601 -1.201 2 1 1206 . 1 1 A 124 124 GLN N N 124 121.500 120.714 0.786 2 1 1207 . 1 1 A 125 125 ALA H H 125 8.210 8.066 0.144 2 1 1208 . 1 1 A 125 125 ALA HA H 125 3.960 4.133 -0.173 2 1 1212 . 1 1 A 125 125 ALA C C 125 167.800 180.038 -12.238 2 1 1213 . 1 1 A 125 125 ALA CA C 125 54.800 54.961 -0.161 2 1 1214 . 1 1 A 125 125 ALA CB C 125 18.700 18.092 0.608 2 1 1215 . 1 1 A 125 125 ALA N N 125 122.600 121.568 1.032 2 1 1216 . 1 1 A 126 126 ALA H H 126 8.900 8.401 0.499 2 1 1217 . 1 1 A 126 126 ALA HA H 126 4.110 4.057 0.053 2 1 1221 . 1 1 A 126 126 ALA C C 126 178.500 179.279 -0.779 2 1 1222 . 1 1 A 126 126 ALA CA C 126 55.300 54.992 0.308 2 1 1223 . 1 1 A 126 126 ALA CB C 126 18.100 18.610 -0.510 2 1 1224 . 1 1 A 126 126 ALA N N 126 124.600 120.076 4.524 2 1 1225 . 1 1 A 127 127 ALA H H 127 8.440 8.052 0.388 2 1 1226 . 1 1 A 127 127 ALA HA H 127 3.850 4.051 -0.201 2 1 1230 . 1 1 A 127 127 ALA C C 127 178.400 179.759 -1.359 2 1 1231 . 1 1 A 127 127 ALA CA C 127 55.500 55.241 0.259 2 1 1232 . 1 1 A 127 127 ALA CB C 127 18.500 18.136 0.364 2 1 1233 . 1 1 A 127 127 ALA N N 127 120.200 120.003 0.197 2 1 1234 . 1 1 A 128 128 ARG H H 128 7.790 7.883 -0.093 2 1 1235 . 1 1 A 128 128 ARG HA H 128 4.020 4.070 -0.050 2 1 1240 . 1 1 A 128 128 ARG C C 128 179.400 178.988 0.412 2 1 1241 . 1 1 A 128 128 ARG CA C 128 59.600 59.510 0.090 2 1 1242 . 1 1 A 128 128 ARG CB C 128 30.800 29.856 0.944 2 1 1244 . 1 1 A 128 128 ARG N N 128 115.900 118.904 -3.004 2 1 1245 . 1 1 A 129 129 THR H H 129 8.440 8.102 0.338 2 1 1246 . 1 1 A 129 129 THR HA H 129 3.770 3.970 -0.200 2 1 1251 . 1 1 A 129 129 THR C C 129 175.300 176.025 -0.725 2 1 1252 . 1 1 A 129 129 THR CA C 129 67.300 66.361 0.939 2 1 1253 . 1 1 A 129 129 THR CB C 129 68.300 68.479 -0.179 2 1 1255 . 1 1 A 129 129 THR N N 129 116.400 115.785 0.615 2 1 1256 . 1 1 A 130 130 TYR H H 130 8.790 8.469 0.321 2 1 1257 . 1 1 A 130 130 TYR HA H 130 3.600 4.114 -0.514 2 1 1262 . 1 1 A 130 130 TYR C C 130 175.500 177.497 -1.997 2 1 1263 . 1 1 A 130 130 TYR CA C 130 62.600 62.113 0.487 2 1 1264 . 1 1 A 130 130 TYR CB C 130 37.500 38.605 -1.105 2 1 1265 . 1 1 A 130 130 TYR N N 130 123.500 122.787 0.713 2 1 1266 . 1 1 A 131 131 ASN H H 131 7.800 8.240 -0.440 2 1 1267 . 1 1 A 131 131 ASN HA H 131 4.220 4.239 -0.019 2 1 1270 . 1 1 A 131 131 ASN C C 131 179.200 178.057 1.143 2 1 1271 . 1 1 A 131 131 ASN CA C 131 55.500 56.353 -0.853 2 1 1272 . 1 1 A 131 131 ASN CB C 131 37.100 38.608 -1.508 2 1 1273 . 1 1 A 131 131 ASN N N 131 117.700 117.717 -0.017 2 1 1274 . 1 1 A 132 132 ILE H H 132 7.520 7.695 -0.175 2 1 1275 . 1 1 A 132 132 ILE HA H 132 3.710 3.612 0.098 2 1 1285 . 1 1 A 132 132 ILE C C 132 178.100 178.242 -0.142 2 1 1286 . 1 1 A 132 132 ILE CA C 132 64.900 65.547 -0.647 2 1 1287 . 1 1 A 132 132 ILE CB C 132 38.500 38.178 0.322 2 1 1291 . 1 1 A 132 132 ILE N N 132 121.000 119.814 1.186 2 1 1292 . 1 1 A 133 133 LEU H H 133 8.420 8.444 -0.024 2 1 1293 . 1 1 A 133 133 LEU HA H 133 3.910 3.976 -0.066 2 1 1303 . 1 1 A 133 133 LEU C C 133 179.600 179.332 0.268 2 1 1304 . 1 1 A 133 133 LEU CA C 133 57.900 57.814 0.086 2 1 1305 . 1 1 A 133 133 LEU CB C 133 41.700 40.887 0.813 2 1 1309 . 1 1 A 133 133 LEU N N 133 120.500 118.671 1.829 2 1 1310 . 1 1 A 134 134 MET H H 134 8.990 8.315 0.675 2 1 1311 . 1 1 A 134 134 MET HA H 134 3.870 4.061 -0.191 2 1 1319 . 1 1 A 134 134 MET C C 134 167.400 177.868 -10.468 2 1 1320 . 1 1 A 134 134 MET CA C 134 58.400 58.285 0.115 2 1 1321 . 1 1 A 134 134 MET CB C 134 30.700 32.009 -1.309 2 1 1324 . 1 1 A 134 134 MET N N 134 119.900 118.611 1.289 2 1 1325 . 1 1 A 135 135 ALA H H 135 7.490 7.851 -0.361 2 1 1326 . 1 1 A 135 135 ALA HA H 135 4.060 3.969 0.091 2 1 1330 . 1 1 A 135 135 ALA C C 135 179.100 179.483 -0.383 2 1 1331 . 1 1 A 135 135 ALA CA C 135 54.700 54.943 -0.243 2 1 1332 . 1 1 A 135 135 ALA CB C 135 18.000 18.137 -0.137 2 1 1333 . 1 1 A 135 135 ALA N N 135 124.600 121.359 3.241 2 1 1334 . 1 1 A 136 136 GLU H H 136 7.540 7.778 -0.238 2 1 1335 . 1 1 A 136 136 GLU HA H 136 4.230 4.266 -0.036 2 1 1340 . 1 1 A 136 136 GLU C C 136 176.900 176.899 0.001 2 1 1341 . 1 1 A 136 136 GLU CA C 136 56.400 56.993 -0.593 2 1 1342 . 1 1 A 136 136 GLU CB C 136 30.300 30.034 0.266 2 1 1344 . 1 1 A 136 136 GLU N N 136 116.500 116.387 0.113 2 1 1345 . 1 1 A 137 137 GLY H H 137 7.870 7.890 -0.020 2 1 1346 . 1 1 A 137 137 GLY HA2 H 137 3.760 3.900 -0.140 2 1 1347 . 1 1 A 137 137 GLY HA3 H 137 4.140 3.909 0.231 2 1 1348 . 1 1 A 137 137 GLY C C 137 175.100 174.268 0.832 2 1 1349 . 1 1 A 137 137 GLY CA C 137 45.600 45.935 -0.335 2 1 1350 . 1 1 A 137 137 GLY N N 137 107.100 108.519 -1.420 2 1 1351 . 1 1 A 138 138 ARG H H 138 7.580 7.681 -0.101 2 1 1352 . 1 1 A 138 138 ARG HA H 138 4.270 4.538 -0.268 2 1 1357 . 1 1 A 138 138 ARG C C 138 176.900 175.546 1.354 2 1 1358 . 1 1 A 138 138 ARG CA C 138 54.500 54.828 -0.328 2 1 1359 . 1 1 A 138 138 ARG CB C 138 30.100 31.972 -1.872 2 1 1361 . 1 1 A 138 138 ARG N N 138 118.100 120.699 -2.599 2 1 1362 . 1 1 A 139 139 ARG H H 139 9.240 8.598 0.642 2 1 1363 . 1 1 A 139 139 ARG HA H 139 4.470 4.502 -0.032 2 1 1370 . 1 1 A 139 139 ARG C C 139 174.400 175.120 -0.720 2 1 1371 . 1 1 A 139 139 ARG CA C 139 55.700 55.921 -0.221 2 1 1372 . 1 1 A 139 139 ARG CB C 139 28.000 29.784 -1.784 2 1 1375 . 1 1 A 139 139 ARG N N 139 124.400 123.776 0.624 2 1 1376 . 1 1 A 140 140 VAL H H 140 7.250 8.434 -1.184 2 1 1377 . 1 1 A 140 140 VAL HA H 140 5.180 5.209 -0.029 2 1 1385 . 1 1 A 140 140 VAL C C 140 172.800 173.972 -1.172 2 1 1386 . 1 1 A 140 140 VAL CA C 140 57.700 60.032 -2.332 2 1 1387 . 1 1 A 140 140 VAL CB C 140 34.700 34.822 -0.121 2 1 1390 . 1 1 A 140 140 VAL N N 140 121.900 123.852 -1.952 2 1 1391 . 1 1 A 141 141 VAL H H 141 8.180 8.759 -0.579 2 1 1392 . 1 1 A 141 141 VAL HA H 141 4.510 4.851 -0.341 2 1 1400 . 1 1 A 141 141 VAL C C 141 172.600 174.068 -1.468 2 1 1401 . 1 1 A 141 141 VAL CA C 141 60.300 60.742 -0.442 2 1 1402 . 1 1 A 141 141 VAL CB C 141 35.600 34.453 1.147 2 1 1405 . 1 1 A 141 141 VAL N N 141 123.900 128.171 -4.271 2 1 1406 . 1 1 A 142 142 VAL H H 142 8.430 8.540 -0.110 2 1 1407 . 1 1 A 142 142 VAL HA H 142 5.220 4.899 0.321 2 1 1415 . 1 1 A 142 142 VAL C C 142 170.000 172.766 -2.766 2 1 1416 . 1 1 A 142 142 VAL CA C 142 57.600 58.963 -1.363 2 1 1417 . 1 1 A 142 142 VAL CB C 142 35.500 33.958 1.542 2 1 1420 . 1 1 A 142 142 VAL N N 142 124.600 127.367 -2.767 2 1 1421 . 1 1 A 143 143 ALA H H 143 8.220 9.003 -0.783 2 1 1422 . 1 1 A 143 143 ALA HA H 143 4.680 5.004 -0.324 2 1 1426 . 1 1 A 143 143 ALA C C 143 175.400 175.405 -0.005 2 1 1427 . 1 1 A 143 143 ALA CA C 143 49.900 49.970 -0.070 2 1 1428 . 1 1 A 143 143 ALA CB C 143 19.600 20.354 -0.754 2 1 1429 . 1 1 A 143 143 ALA N N 143 129.100 130.240 -1.140 2 1 1430 . 1 1 A 144 144 LEU H H 144 9.070 9.160 -0.090 2 1 1431 . 1 1 A 144 144 LEU HA H 144 4.840 5.093 -0.253 2 1 1441 . 1 1 A 144 144 LEU CA C 144 53.400 53.461 -0.061 2 1 1442 . 1 1 A 144 144 LEU CB C 144 46.500 43.593 2.907 2 1 1445 . 1 1 A 144 144 LEU N N 144 119.600 123.864 -4.264 2 1 1446 . 1 1 A 145 145 LEU HA H 145 4.830 4.958 -0.128 2 1 1456 . 1 1 A 145 145 LEU CA C 145 51.800 51.431 0.369 2 1 1457 . 1 1 A 145 145 LEU CB C 145 41.700 42.908 -1.208 2 1 1461 . 1 1 A 146 146 PRO HA H 146 4.330 4.737 -0.407 2 1 1466 . 1 1 A 146 146 PRO C C 146 175.700 176.186 -0.486 2 1 1467 . 1 1 A 146 146 PRO CA C 146 62.800 62.532 0.268 2 1 1468 . 1 1 A 146 146 PRO CB C 146 31.500 32.518 -1.018 2 1 1470 . 1 1 A 147 147 ASP H H 147 8.660 8.575 0.085 2 1 1471 . 1 1 A 147 147 ASP HA H 147 4.510 4.700 -0.190 2 1 1474 . 1 1 A 147 147 ASP C C 147 176.300 176.166 0.134 2 1 1475 . 1 1 A 147 147 ASP CA C 147 54.300 54.331 -0.031 2 1 1476 . 1 1 A 147 147 ASP CB C 147 42.100 41.620 0.480 2 1 1477 . 1 1 A 147 147 ASP N N 147 120.700 121.506 -0.806 2 1 1478 . 1 1 A 148 148 GLY H H 148 8.310 8.297 0.013 2 1 1479 . 1 1 A 148 148 GLY HA2 H 148 4.020 4.078 -0.058 2 1 1480 . 1 1 A 148 148 GLY HA3 H 148 4.050 4.092 -0.042 2 1 1481 . 1 1 A 148 148 GLY C C 148 173.600 174.608 -1.008 2 1 1482 . 1 1 A 148 148 GLY CA C 148 45.200 45.518 -0.318 2 1 1483 . 1 1 A 148 148 GLY N N 148 109.400 109.989 -0.589 2 1 1484 . 1 1 A 149 149 ASP H H 149 8.550 8.218 0.332 2 1 1485 . 1 1 A 149 149 ASP HA H 149 4.650 4.627 0.023 2 1 1488 . 1 1 A 149 149 ASP C C 149 176.700 176.328 0.372 2 1 1489 . 1 1 A 149 149 ASP CA C 149 54.500 54.990 -0.490 2 1 1490 . 1 1 A 149 149 ASP CB C 149 41.600 41.194 0.406 2 1 1491 . 1 1 A 149 149 ASP N N 149 120.800 120.934 -0.134 2 1 1492 . 1 1 A 150 150 SER H H 150 8.600 8.294 0.306 2 1 1493 . 1 1 A 150 150 SER HA H 150 4.350 4.634 -0.284 2 1 1496 . 1 1 A 150 150 SER C C 150 175.000 174.488 0.512 2 1 1497 . 1 1 A 150 150 SER CA C 150 58.900 58.803 0.097 2 1 1498 . 1 1 A 150 150 SER CB C 150 63.500 64.223 -0.723 2 1 1499 . 1 1 A 150 150 SER N N 150 116.400 115.722 0.678 2 1 1500 . 1 1 A 151 151 LEU H H 151 8.290 8.271 0.019 2 1 1501 . 1 1 A 151 151 LEU CA C 151 55.500 55.719 -0.219 2 1 1502 . 1 1 A 151 151 LEU CB C 151 41.900 42.080 -0.180 2 stop_ save_