1 MET 1 999.9900 1.0862 999.9900 .9587 -.1136 .6437 .0889 .5668 .3496 .5174 2 THR 2 -.5830 999.9900 .2916 999.9900 .5490 .0859 -.5900 .6034 .1061 .0542 3 GLU 3 -.4325 -.6022 999.9900 -1.0323 -.5746 -.6604 -1.4085 .3645 -.3743 -.6143 4 VAL 4 .0429 999.9900 -.0276 999.9900 .6959 .2371 -.3351 .5499 .1812 .1852 5 TYR 5 .5758 -1.1984 999.9900 999.9900 -1.0119 -.5449 -.0132 .5622 .3225 -.2171 6 ASP 6 -.3819 -2.0001 999.9900 999.9900 .9215 -.4869 .4261 .3442 .3783 -.1381 7 LEU 7 -.7230 .8847 999.9900 999.9900 -2.5031 -.7805 -.1796 -.2967 -.2479 -.5635 8 GLU 8 -1.1136 .7809 999.9900 -1.0323 -.7952 -.5401 -.6896 .2924 -.1167 -.4262 9 ILE 9 .0813 -3.0500 999.9900 999.9900 .2717 -.8990 -.3507 .5275 .1616 -.5040 10 THR 10 .5049 999.9900 -.8810 999.9900 .2056 -.0568 -1.4275 .5757 -.2590 -.2045 11 THR 11 -.8088 999.9900 -.8810 999.9900 .6695 -.3401 -3.2974 -.1164 -1.4419 -.8868 12 ASN 12 -.1320 -.2320 999.9900 999.9900 -.1777 -.1806 .3742 .5970 .5041 .0859 13 ALA 13 -.3032 999.9900 999.9900 999.9900 .2908 -.0062 .3346 .6358 .5103 .2395 14 THR 14 -.1094 999.9900 -.8810 999.9900 .8957 -.0316 -.4039 .5002 .1235 .0003 15 ASP 15 -2.5838 -.2599 999.9900 999.9900 .4469 -.7989 .4149 .6307 .5408 -.2703 16 PHE 16 -.4296 .7639 999.9900 999.9900 -.4285 -.0314 .4854 .6043 .5548 .1991 17 PRO 17 -.5949 999.9900 999.9900 999.9900 -1.0436 -.8193 -.1806 .4671 .1972 -.3380 18 MET 18 -.2651 -.1452 999.9900 .9587 .3104 .2147 .3957 .6156 .5240 .3117 19 GLU 19 -.4615 -1.7714 999.9900 1.1588 .6899 -.0960 -.3018 .3598 .0841 -.0544 20 LYS 20 -.5771 .7568 999.9900 .1140 .6805 .2176 .0791 .5048 .3274 .2389 21 LYS 21 -.3350 .8340 999.9900 .1731 .2547 .2200 .3418 .5213 .4465 .2804 22 TYR 22 .1219 .8492 999.9900 999.9900 .1301 .3671 .5271 .3587 .4288 .3974 23 PRO 23 -.7236 999.9900 999.9900 999.9900 .7944 .0354 .6083 .3852 .4782 .2661 24 ALA 24 .2107 999.9900 999.9900 999.9900 .2428 .2267 .0528 .6456 .3986 .2880 25 GLY 25 -.0858 999.9900 999.9900 999.9900 .6890 .3016 .4471 .6857 .5796 .4340 26 MET 26 -.7385 .5321 999.9900 .9587 -.3043 .1120 .4490 .5087 .4838 .2343 27 SER 27 -.1428 999.9900 .3727 999.9900 -.6377 -.1359 -.2794 .6275 .2497 -.0119 28 LEU 28 .8475 .5315 999.9900 999.9900 .2381 .5390 -1.3544 .6049 -.2115 .1735 29 ASN 29 1.1678 1.2520 999.9900 999.9900 -.3577 .6874 .2659 .3775 .3310 .5411 30 ASP 30 .6354 -1.1062 999.9900 999.9900 .5431 .0241 .5887 .4612 .5144 .2245 31 LEU 31 1.1349 -2.3037 999.9900 999.9900 -1.0998 -.7562 .1405 -.0805 .0116 -.4417 32 LYS 32 .9451 -.3555 999.9900 .1731 -.1497 .1572 -.7265 .2631 -.1492 .0461 33 LYS 33 .9480 -1.2879 999.9900 .3240 -.3378 -.0059 .4131 .5310 .4819 .1306 34 LYS 34 .8536 -1.5020 999.9900 .4996 -.3378 .0026 .0486 .0474 .0479 .0156 35 LEU 35 .9913 .8847 999.9900 999.9900 .4774 .7845 .5537 .4096 .4696 .6633 36 GLU 36 .6116 1.0351 999.9900 .3501 .6424 .6598 .1271 .0844 .1022 .4751 37 LEU 37 .8442 .5315 999.9900 999.9900 .3346 .5701 .4464 .6619 .5721 .5637 38 VAL 38 -.1540 999.9900 .4980 999.9900 -.0858 .0861 .4013 .6516 .5473 .2622 39 VAL 39 -1.2342 999.9900 -.0276 999.9900 .8960 -.1219 .4232 .5068 .4719 .1128 40 GLY 40 1.1139 999.9900 999.9900 999.9900 .4303 .7721 .1987 .6747 .4631 .6044 41 THR 41 -.7170 999.9900 -.8810 999.9900 .1092 -.4963 .0669 .4432 .2864 -.1957 42 THR 42 -2.6731 999.9900 -.8810 999.9900 -1.0006 -1.5183 .2766 .0831 .1637 -.8390 43 VAL 43 -.4049 999.9900 .1416 999.9900 -1.0415 -.4349 .1166 .6081 .4033 -.1160 44 ASP 44 .3915 -.2599 999.9900 999.9900 .6587 .2634 .5862 .5936 .5905 .3940 45 SER 45 .4533 999.9900 1.2119 999.9900 .0290 .5647 -.6126 .5319 .0550 .3227 46 MET 46 -.5881 .2176 999.9900 .9587 -.8385 -.0626 -1.3920 .3317 -.3865 -.2184 47 ARG 47 -.4945 -2.8571 999.9900 .9503 -.4506 -.3803 -.2396 .3391 .0980 -.2574 48 ILE 48 .5210 -.0414 999.9900 999.9900 .7362 .4053 .1593 .6159 .4257 .3982 49 GLN 49 -.1803 1.1250 999.9900 1.3059 .6605 .7278 .1061 .6802 .4410 .6162 50 LEU 50 -.0536 -1.4036 999.9900 999.9900 -.8739 -.7770 -1.1351 .5085 -.1763 -.5915 51 PHE 51 .0966 .8396 999.9900 999.9900 -1.2178 -.0939 -.8330 .2942 -.1755 -.1641 52 ASP 52 -3.3417 -1.4992 999.9900 999.9900 -.6624 -1.8344 .2019 .3545 .2909 -.9894 53 GLY 53 .0328 999.9900 999.9900 999.9900 -.6865 -.3268 .4264 .2620 .3351 .0087 54 ASP 54 -.6712 -1.6521 999.9900 999.9900 -.4783 -.9338 .2948 .3067 .3017 -.4400 55 ASP 55 .6201 -.4551 999.9900 999.9900 .8104 .3251 .5491 .5641 .5579 .4177 56 GLN 56 -.4076 1.2376 999.9900 1.3059 .7055 .7103 .2386 .2435 .2415 .5539 57 LEU 57 -.1836 .5563 999.9900 999.9900 .1315 .1681 .2562 .3907 .3347 .2302 58 LYS 58 -.4760 -.3256 999.9900 1.3578 .8827 .5593 -.1678 .6610 .3157 .4700 59 GLY 59 -.2363 999.9900 999.9900 999.9900 -.3452 -.2907 -1.1533 .6525 -.1501 -.2706 60 GLU 60 -.5239 .7809 999.9900 -1.0323 .7566 -.0047 -2.1501 .5170 -.5943 -.2753 61 LEU 61 -3.7702 -3.3760 999.9900 999.9900 -3.2047 -3.4503 -.3832 -.2551 -.3085 -2.1978 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .1092 -1.6594 -1.2484 -.9119 -1.0521 -1.4277 63 ASP 63 -3.3417 -1.8420 999.9900 999.9900 .6026 -1.5271 .4974 .4203 .4524 -.7327 64 GLY 64 -.1011 999.9900 999.9900 999.9900 .2296 .0642 .4347 .3861 .4077 .2373 65 ALA 65 -.9755 999.9900 999.9900 999.9900 .8152 -.0801 -.7114 .2500 -.1506 -.1554 66 LYS 66 -.4760 -.4196 999.9900 .5368 -1.2036 -.2051 -.9004 -1.0125 -.9658 -.4198 67 SER 67 .0135 999.9900 -.0289 999.9900 -.0193 -.0115 -2.9553 .4183 -.9874 -.5143 68 LEU 68 .2140 .6031 999.9900 999.9900 .8331 .5501 -.5938 .1242 -.1750 .2361 69 LYS 69 .8536 -2.9005 999.9900 .8043 .8827 .0889 .3667 .2868 .3201 .1568 70 ASP 70 .9343 -1.4992 999.9900 999.9900 -.7687 -.4445 .6151 .6141 .6145 -.0209 71 LEU 71 -.2213 .9108 999.9900 999.9900 .7949 .4948 .3768 .6263 .5223 .4975 72 GLY 72 .7683 999.9900 999.9900 999.9900 .4101 .5892 -.0015 .7058 .3914 .4707 73 VAL 73 -2.0685 999.9900 .4980 999.9900 .6734 -.2990 -.1218 .4500 .2118 -.1138 74 ARG 74 -2.9267 .6306 999.9900 .1593 .4837 -.2988 .3380 .4725 .4164 -.0976 75 ASP 75 -.0277 -2.4630 999.9900 999.9900 .1337 -.7856 -1.2238 .2438 -.3677 -.6674 76 GLY 76 1.0314 999.9900 999.9900 999.9900 .4101 .7207 .1845 .6268 .4302 .5632 77 TYR 77 -.7539 -.6802 999.9900 999.9900 -.4027 -.6123 -.1494 .6578 .3215 -.2657 78 ARG 78 -.2265 -.1448 999.9900 .1593 .8581 .1611 -.6936 .4868 -.0050 .0855 79 ILE 79 .3543 -.0177 999.9900 999.9900 .0546 .1304 -.7288 .4763 -.0258 .0277 80 HIS 80 -.5879 .6357 999.9900 999.9900 .1122 .0533 -.8297 .6357 .0251 -.0068 81 ALA 81 -.9001 999.9900 999.9900 999.9900 .6390 -.1306 -.0935 .6811 .3583 .0816 82 VAL 82 .0429 999.9900 -1.0788 999.9900 .7810 -.0849 .0798 .5093 .3304 .0669 83 ASP 83 -.0565 -1.3328 999.9900 999.9900 -.1266 -.5053 -.1687 .6232 .2933 -.2123 84 VAL 84 -2.0685 999.9900 -.0276 999.9900 -.0367 -.7109 .4467 .6740 .5793 -.2024 85 THR 85 .7717 999.9900 -.8810 999.9900 .2056 .0321 .4634 .4425 .4512 .2004 86 GLY 86 -.5999 999.9900 999.9900 999.9900 -.2990 -.4495 .3914 .5885 .5009 .0202 87 GLY 87 .1572 999.9900 999.9900 999.9900 -.9224 -.3826 .3755 .5925 .4961 .0507 88 ASN 88 -.0682 1.2520 999.9900 999.9900 -.5831 .2003 -.2299 .6681 .2939 .2078 89 GLU 89 -3.2255 -.3402 999.9900 -1.0323 .6899 -.9770 .4918 .3890 .4318 -.5046 90 ASP 90 999.9900 -.5059 999.9900 999.9900 999.9900 -.5059 .5384 .3904 .4539 .1410 Means: -.3589 -.3565 -.2413 .4214 .0267 -.1382 -.1506 .4183 .1798 -.0305 2.00 refined_11