==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INHIBITOR/APOPTOSIS 18-AUG-06 2I3I . COMPND 2 MOLECULE: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.J.FAIRBROTHER,M.C.FRANKLIN . 185 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 4 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 78 A G 0 0 99 0, 0.0 74,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 177.9 77.5 83.5 22.7 2 79 A P - 0 0 45 0, 0.0 47,-0.2 0, 0.0 48,-0.2 -0.336 360.0-133.5 -69.7 149.1 77.6 79.8 23.5 3 80 A A S S+ 0 0 61 46,-2.0 46,-0.2 1,-0.3 47,-0.1 0.883 106.0 26.2 -64.8 -39.5 74.7 77.5 22.6 4 81 A F S > S+ 0 0 71 44,-2.8 3,-1.9 1,-0.1 -1,-0.3 -0.738 70.3 177.8-127.8 78.0 74.8 75.9 26.0 5 82 A P G > S+ 0 0 90 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.818 74.6 68.9 -54.1 -34.3 76.3 78.5 28.5 6 83 A G G 3 S+ 0 0 42 1,-0.3 3,-0.3 2,-0.1 6,-0.0 0.612 97.9 51.1 -63.1 -17.0 75.9 76.1 31.5 7 84 A M G < S+ 0 0 3 -3,-1.9 -1,-0.3 41,-0.2 41,-0.3 0.094 77.0 105.5-105.0 21.3 78.6 73.8 30.2 8 85 A G < + 0 0 36 -3,-2.1 2,-0.4 40,-0.1 -1,-0.1 0.671 58.5 89.2 -69.3 -22.1 81.1 76.6 29.7 9 86 A S > - 0 0 51 -3,-0.3 4,-2.1 -4,-0.2 5,-0.1 -0.700 69.9-150.1 -79.4 127.6 83.1 75.5 32.8 10 87 A E H > S+ 0 0 107 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.910 97.7 57.5 -62.9 -42.7 85.8 72.9 31.9 11 88 A E H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 107.1 46.6 -51.9 -49.8 85.4 71.4 35.4 12 89 A L H > S+ 0 0 30 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.936 111.6 51.9 -64.7 -42.9 81.7 70.8 34.8 13 90 A R H < S+ 0 0 6 -4,-2.1 25,-0.5 1,-0.2 3,-0.5 0.924 109.9 48.6 -57.6 -44.8 82.3 69.3 31.4 14 91 A L H >< S+ 0 0 41 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.881 106.0 57.9 -63.5 -39.8 84.9 66.9 32.8 15 92 A A H >< S+ 0 0 5 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.802 95.4 65.5 -57.3 -31.3 82.5 65.8 35.6 16 93 A S T 3< S+ 0 0 30 -4,-1.3 3,-0.4 -3,-0.5 -1,-0.3 0.678 90.2 66.9 -67.1 -19.4 80.0 64.8 32.9 17 94 A F T X + 0 0 8 -3,-1.4 3,-2.3 -4,-0.4 -1,-0.3 0.163 59.9 118.6 -87.0 16.6 82.4 62.0 31.8 18 95 A Y T < S+ 0 0 68 -3,-1.2 79,-0.2 1,-0.3 -1,-0.2 0.801 88.4 31.0 -57.5 -29.3 82.1 59.9 35.1 19 96 A D T 3 S+ 0 0 113 -3,-0.4 -1,-0.3 76,-0.1 -2,-0.1 -0.166 83.6 150.5-119.6 34.6 80.7 57.0 33.1 20 97 A W X - 0 0 11 -3,-2.3 3,-0.6 1,-0.1 23,-0.1 -0.523 39.5-147.8 -60.8 127.8 82.6 57.6 29.8 21 98 A P T 3 S+ 0 0 80 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.623 87.9 50.7 -76.2 -11.0 83.1 54.2 28.1 22 99 A L T 3> + 0 0 36 4,-0.2 4,-3.0 1,-0.1 -2,-0.0 -0.259 59.5 145.9-125.0 43.2 86.4 55.0 26.4 23 100 A T T <4 S+ 0 0 85 -3,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.877 80.7 35.6 -52.3 -47.9 88.6 56.5 29.1 24 101 A A T 4 S+ 0 0 87 -3,-0.2 -1,-0.2 1,-0.1 36,-0.1 0.883 119.0 49.9 -72.1 -39.7 91.9 55.0 27.7 25 102 A E T 4 S+ 0 0 82 1,-0.3 35,-2.5 34,-0.1 -2,-0.2 0.879 131.2 8.7 -73.7 -43.1 91.0 55.4 24.1 26 103 A V S < S- 0 0 0 -4,-3.0 -1,-0.3 33,-0.2 -4,-0.2 -0.845 87.4-132.0-141.0 98.1 89.9 59.0 24.2 27 104 A P > - 0 0 43 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.239 2.7-141.7 -57.6 130.5 90.7 60.8 27.5 28 105 A P H > S+ 0 0 10 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.832 102.7 63.4 -54.1 -34.6 87.8 62.8 29.1 29 106 A E H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.914 108.5 41.3 -57.7 -42.3 90.5 65.4 30.2 30 107 A L H > S+ 0 0 82 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.877 114.5 50.6 -72.3 -41.3 91.1 66.1 26.5 31 108 A L H <>S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 -2,-0.2 0.950 113.7 44.6 -63.3 -47.2 87.5 66.0 25.4 32 109 A A H ><5S+ 0 0 0 -4,-3.1 3,-1.9 1,-0.2 -2,-0.2 0.910 110.4 54.9 -65.9 -39.9 86.5 68.5 28.1 33 110 A A H 3<5S+ 0 0 29 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.907 105.3 55.0 -56.4 -39.3 89.5 70.7 27.3 34 111 A A T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.238 128.3 -97.1 -83.3 13.7 88.3 70.8 23.7 35 112 A G T < 5S+ 0 0 0 -3,-1.9 13,-2.4 1,-0.3 2,-0.2 0.370 81.4 131.3 93.1 -2.1 84.8 72.0 24.8 36 113 A F E < -A 47 0A 0 -5,-2.2 2,-0.3 11,-0.2 -1,-0.3 -0.571 33.6-171.6 -91.1 143.8 83.0 68.7 24.8 37 114 A F E -A 46 0A 20 9,-2.2 9,-2.0 -2,-0.2 2,-0.3 -0.964 31.8-105.8-125.4 152.0 80.7 67.2 27.5 38 115 A H E -A 45 0A 14 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.582 15.5-155.5 -76.3 131.1 79.3 63.7 27.6 39 116 A T - 0 0 53 5,-2.1 -1,-0.1 -2,-0.3 6,-0.1 0.712 40.6-117.8 -72.7 -24.1 75.6 63.3 26.8 40 117 A G S S+ 0 0 55 4,-0.5 2,-0.5 1,-0.2 5,-0.1 0.121 83.8 106.6 103.2 -15.5 75.4 60.1 28.8 41 118 A H S > S- 0 0 131 3,-0.3 3,-2.3 0, 0.0 -2,-0.2 -0.855 94.7 -56.7-102.4 124.7 74.5 58.0 25.8 42 119 A Q T 3 S- 0 0 130 -2,-0.5 -2,-0.2 1,-0.3 13,-0.0 -0.140 107.0 -39.5 43.6-134.5 77.1 55.7 24.2 43 120 A D T 3 S+ 0 0 25 -23,-0.1 2,-0.4 -22,-0.1 -1,-0.3 -0.019 95.6 140.2-107.6 27.0 80.1 57.8 23.3 44 121 A K < + 0 0 72 -3,-2.3 -5,-2.1 11,-0.1 -4,-0.5 -0.583 25.6 176.7 -75.6 125.9 78.1 60.8 22.1 45 122 A V E -AB 38 54A 2 9,-2.9 9,-2.2 -2,-0.4 2,-0.3 -0.866 12.5-157.7-123.7 164.1 79.6 64.1 23.1 46 123 A R E -AB 37 53A 78 -9,-2.0 -9,-2.2 -2,-0.3 2,-0.4 -1.000 20.3-120.1-143.5 140.7 78.7 67.7 22.3 47 124 A C E > -A 36 0A 0 5,-2.2 4,-1.7 -2,-0.3 -11,-0.2 -0.693 17.5-143.6 -76.9 130.6 80.5 71.1 22.3 48 125 A F T 4 S+ 0 0 13 -13,-2.4 -44,-2.8 -2,-0.4 -45,-0.2 0.759 96.3 43.4 -62.9 -28.3 79.0 73.6 24.7 49 126 A F T 4 S+ 0 0 49 -47,-0.2 -46,-2.0 -14,-0.2 -1,-0.2 0.945 129.0 19.0 -88.5 -55.7 79.6 76.5 22.3 50 127 A C T 4 S- 0 0 45 -48,-0.2 -2,-0.2 -47,-0.1 3,-0.1 0.559 91.9-132.5 -91.9 -9.4 78.6 75.3 18.8 51 128 A Y < + 0 0 112 -4,-1.7 -3,-0.1 1,-0.2 2,-0.0 0.553 47.7 163.1 66.1 13.4 76.4 72.4 20.1 52 129 A G - 0 0 8 -6,-0.1 -5,-2.2 19,-0.1 2,-0.5 -0.357 28.4-142.5 -67.2 138.7 78.2 70.2 17.6 53 130 A G E -B 46 0A 45 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.911 18.1-176.6-111.4 129.4 77.8 66.5 18.3 54 131 A L E +B 45 0A 21 -9,-2.2 -9,-2.9 -2,-0.5 2,-0.2 -0.988 11.2 156.6-126.8 136.1 80.4 63.8 17.8 55 132 A Q + 0 0 108 -2,-0.4 -11,-0.1 -11,-0.2 -13,-0.1 -0.719 46.6 61.6-137.2-175.3 80.1 60.0 18.3 56 133 A S - 0 0 74 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.924 69.0-170.3 54.2 50.7 81.8 56.8 17.0 57 134 A W - 0 0 14 -14,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.520 8.7-148.7 -73.5 136.9 85.2 57.8 18.5 58 135 A K > - 0 0 139 -2,-0.2 3,-2.2 1,-0.1 2,-0.1 -0.742 34.9 -83.7-102.6 155.7 88.2 55.7 17.5 59 136 A R T 3 S+ 0 0 217 -2,-0.3 -33,-0.2 1,-0.3 -34,-0.1 -0.367 116.6 17.1 -61.8 128.4 91.2 55.0 19.8 60 137 A G T 3 S+ 0 0 66 -35,-2.5 -1,-0.3 1,-0.3 -34,-0.1 0.451 82.6 151.9 87.8 0.7 93.6 57.9 19.6 61 138 A D < - 0 0 40 -3,-2.2 -1,-0.3 -36,-0.2 -4,-0.0 -0.464 43.5-133.6 -58.3 138.4 91.2 60.4 18.1 62 139 A D > - 0 0 65 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.881 5.8-147.4-101.4 114.7 92.3 63.8 19.1 63 140 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.873 96.4 48.5 -50.9 -45.7 89.3 65.9 20.4 64 141 A W H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 112.1 49.4 -62.4 -46.2 90.7 69.3 19.1 65 142 A T H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.930 113.4 46.3 -55.8 -47.9 91.5 67.9 15.7 66 143 A E H X S+ 0 0 20 -4,-2.6 4,-2.2 2,-0.2 5,-0.4 0.892 109.0 55.7 -66.0 -35.9 88.0 66.4 15.4 67 144 A H H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.955 113.0 41.6 -58.4 -48.9 86.5 69.7 16.7 68 145 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.840 112.1 55.5 -67.8 -38.1 88.2 71.5 13.8 69 146 A K H < S+ 0 0 104 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.951 123.5 22.6 -55.0 -53.3 87.5 68.8 11.2 70 147 A W H < S+ 0 0 157 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.763 134.6 30.0 -93.8 -31.5 83.7 68.9 11.7 71 148 A F >< + 0 0 46 -4,-2.5 3,-1.6 -5,-0.4 -1,-0.2 -0.486 61.8 153.7-131.6 62.3 83.0 72.3 13.3 72 149 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.614 71.7 62.6 -70.8 -13.0 85.6 74.7 11.9 73 150 A G T 3 S+ 0 0 59 -3,-0.1 2,-0.1 4,-0.0 -5,-0.1 0.504 73.8 123.5 -84.7 -6.3 83.2 77.7 12.3 74 151 A C <> - 0 0 7 -3,-1.6 4,-2.0 -7,-0.2 5,-0.1 -0.351 51.9-154.4 -63.9 130.3 83.1 77.3 16.1 75 152 A Q H > S+ 0 0 107 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.782 93.5 57.4 -80.9 -26.4 84.1 80.4 18.0 76 153 A F H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 110.7 45.3 -63.5 -44.5 85.2 78.6 21.1 77 154 A L H >>S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.7 0.897 113.2 49.9 -61.4 -45.0 87.6 76.6 18.9 78 155 A L H X5S+ 0 0 51 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.943 113.7 45.7 -59.6 -46.6 88.7 79.7 17.1 79 156 A R H <5S+ 0 0 226 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.899 119.7 40.0 -63.4 -45.0 89.3 81.5 20.5 80 157 A S H <5S+ 0 0 56 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.910 131.4 18.7 -72.3 -47.0 91.1 78.5 22.0 81 158 A K H <5S- 0 0 83 -4,-2.9 4,-0.4 -5,-0.2 -3,-0.2 0.673 98.7-125.3-106.9 -25.3 93.3 77.2 19.1 82 159 A G X< - 0 0 28 -4,-1.7 4,-1.5 -5,-0.7 5,-0.1 0.027 26.6 -83.7 93.1 160.6 93.6 80.0 16.5 83 160 A Q H > S+ 0 0 88 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.880 122.3 58.6 -70.3 -40.5 92.8 80.2 12.8 84 161 A E H > S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 105.8 51.1 -56.5 -43.5 96.2 78.8 11.6 85 162 A Y H > S+ 0 0 54 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.927 113.0 44.1 -59.2 -46.2 95.5 75.6 13.6 86 163 A I H X S+ 0 0 4 -4,-1.5 4,-1.7 1,-0.2 3,-0.2 0.933 112.9 52.4 -64.4 -46.8 92.0 75.2 12.0 87 164 A N H < S+ 0 0 85 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.823 107.4 52.2 -56.2 -38.2 93.3 76.0 8.5 88 165 A N H < S+ 0 0 135 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.828 103.9 56.3 -74.0 -32.4 96.1 73.4 8.8 89 166 A I H < 0 0 46 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.889 360.0 360.0 -68.7 -35.0 93.6 70.7 9.8 90 167 A H < 0 0 136 -4,-1.7 -1,-0.3 -18,-0.0 -2,-0.2 0.146 360.0 360.0 -78.4 360.0 91.7 71.4 6.6 91 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 92 78 B G 0 0 107 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-179.9 88.5 48.5 42.4 93 79 B P - 0 0 59 0, 0.0 47,-0.2 0, 0.0 48,-0.2 -0.503 360.0-145.0 -63.8 132.0 87.2 52.0 42.6 94 80 B A S S+ 0 0 41 46,-1.8 46,-0.2 1,-0.3 45,-0.1 0.890 93.2 19.2 -65.9 -44.2 83.8 52.3 40.7 95 81 B F > + 0 0 10 44,-3.3 3,-1.5 1,-0.1 -1,-0.3 -0.721 69.7 176.7-130.8 77.8 84.4 55.8 39.4 96 82 B P G > S+ 0 0 91 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.823 78.8 59.8 -54.0 -40.7 88.2 56.5 39.6 97 83 B G G > S+ 0 0 50 1,-0.3 3,-0.9 -79,-0.2 6,-0.1 0.751 97.9 61.1 -59.6 -25.7 87.9 60.0 38.0 98 84 B M G < S+ 0 0 2 -3,-1.5 -1,-0.3 1,-0.2 41,-0.2 0.296 71.9 98.1 -90.4 11.4 85.6 61.0 40.8 99 85 B G G < + 0 0 37 -3,-1.9 2,-0.5 40,-0.1 -1,-0.2 0.723 65.7 89.1 -63.1 -22.3 88.4 60.4 43.3 100 86 B S <> - 0 0 57 -3,-0.9 4,-1.8 -4,-0.2 5,-0.1 -0.708 69.6-155.9 -77.3 120.8 88.9 64.2 43.0 101 87 B E H > S+ 0 0 97 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.834 95.1 58.7 -67.4 -36.5 86.7 65.9 45.6 102 88 B E H > S+ 0 0 135 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 108.1 45.8 -52.5 -49.2 86.7 69.1 43.4 103 89 B L H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.842 110.0 53.2 -67.4 -34.9 85.2 67.1 40.6 104 90 B R H < S+ 0 0 8 -4,-1.8 25,-0.5 2,-0.2 4,-0.5 0.929 109.9 49.0 -65.3 -40.6 82.7 65.5 42.9 105 91 B L H >< S+ 0 0 76 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.917 106.6 55.6 -66.0 -40.8 81.6 69.0 44.0 106 92 B A H >< S+ 0 0 9 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.844 95.3 67.2 -56.8 -36.3 81.4 70.1 40.4 107 93 B S G >< S+ 0 0 7 -4,-1.5 3,-0.6 -3,-0.3 -1,-0.3 0.715 90.8 66.1 -57.2 -21.5 78.9 67.2 39.7 108 94 B F G X + 0 0 12 -3,-1.6 3,-1.9 -4,-0.5 -1,-0.3 0.286 63.5 108.0 -87.0 10.0 76.4 69.0 42.0 109 95 B Y G < S+ 0 0 123 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.839 90.3 36.0 -53.6 -36.2 76.0 72.0 39.6 110 96 B D G < S+ 0 0 59 -3,-0.6 -1,-0.3 19,-0.0 -2,-0.1 -0.106 83.3 149.2-109.4 28.3 72.5 70.7 38.8 111 97 B W < - 0 0 25 -3,-1.9 23,-0.1 1,-0.1 -3,-0.1 -0.436 61.5 -92.1 -58.8 135.0 71.6 69.5 42.3 112 98 B P > - 0 0 33 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.212 21.4-136.9 -62.5 141.8 67.9 69.8 42.8 113 99 B L T 3 S+ 0 0 182 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.629 106.6 59.6 -68.8 -13.9 66.7 73.1 44.4 114 100 B T T 3 S+ 0 0 123 2,-0.0 -1,-0.3 0, 0.0 20,-0.0 0.514 81.2 118.5 -85.3 -11.9 64.4 70.9 46.4 115 101 B A < - 0 0 28 -3,-1.6 34,-0.1 1,-0.1 -4,-0.0 -0.130 52.5-154.3 -64.4 158.6 67.2 68.9 48.0 116 102 B E S S+ 0 0 101 32,-0.3 35,-0.5 1,-0.1 36,-0.2 0.382 70.9 61.5-117.4 1.9 67.8 69.0 51.8 117 103 B V S S- 0 0 6 33,-0.1 31,-0.1 31,-0.1 -1,-0.1 -0.992 84.7-111.7-132.8 135.9 71.5 68.2 52.2 118 104 B P >> - 0 0 63 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.448 11.6-131.8 -77.1 140.7 74.3 70.4 50.8 119 105 B P H 3> S+ 0 0 34 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.849 104.8 63.4 -44.5 -44.2 76.7 69.3 48.0 120 106 B E H 3> S+ 0 0 142 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.911 108.4 40.2 -54.5 -46.6 79.8 70.4 50.1 121 107 B L H <> S+ 0 0 84 -3,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.851 115.8 51.3 -69.4 -36.6 79.0 67.8 52.7 122 108 B L H ><>S+ 0 0 0 -4,-1.7 5,-1.9 1,-0.2 3,-0.9 0.970 110.6 46.9 -68.0 -51.8 78.1 65.1 50.2 123 109 B A H ><5S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.2 -1,-0.2 0.849 107.4 58.2 -54.5 -40.1 81.2 65.5 48.1 124 110 B A H 3<5S+ 0 0 35 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.825 103.4 53.8 -61.9 -30.3 83.4 65.4 51.2 125 111 B A T <<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.149 128.4 -92.7 -97.0 19.5 82.0 62.0 52.1 126 112 B G T < 5S+ 0 0 0 -3,-1.5 13,-2.5 1,-0.3 2,-0.3 0.378 83.9 129.6 96.0 -1.0 82.8 60.4 48.7 127 113 B F E < -C 138 0B 0 -5,-1.9 2,-0.3 11,-0.2 -1,-0.3 -0.641 31.1-177.5 -96.0 143.6 79.5 61.1 46.9 128 114 B F E -C 137 0B 0 9,-2.6 9,-2.7 -2,-0.3 2,-0.3 -0.944 30.6-105.3-131.6 162.1 78.9 62.7 43.5 129 115 B H E -C 136 0B 5 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.640 12.0-154.4 -93.2 134.9 75.7 63.4 41.7 130 116 B T - 0 0 19 5,-1.8 6,-0.1 -2,-0.3 -1,-0.1 0.522 47.2-108.5 -85.3 -7.6 74.5 61.4 38.8 131 117 B G S S+ 0 0 32 4,-0.4 2,-0.4 2,-0.2 5,-0.1 0.507 89.3 103.4 93.6 6.9 72.5 64.2 37.2 132 118 B H S > S- 0 0 116 3,-0.4 3,-2.0 -20,-0.0 -2,-0.3 -0.981 92.8 -52.3-129.5 120.9 69.1 62.6 38.2 133 119 B Q T 3 S- 0 0 115 -2,-0.4 -2,-0.2 1,-0.2 -18,-0.1 -0.165 106.0 -43.5 47.7-147.1 66.9 63.8 41.1 134 120 B D T 3 S+ 0 0 23 -23,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.030 96.2 141.4 -99.7 29.9 69.0 63.9 44.3 135 121 B K < + 0 0 75 -3,-2.0 -5,-1.8 11,-0.1 -4,-0.4 -0.549 24.7 176.7 -69.9 128.5 70.7 60.5 43.5 136 122 B V E -CD 129 145B 1 9,-2.7 9,-1.9 -2,-0.3 2,-0.3 -0.918 13.8-155.7-126.9 156.3 74.4 60.3 44.4 137 123 B R E -CD 128 144B 71 -9,-2.7 -9,-2.6 -2,-0.3 2,-0.4 -0.980 24.3-114.0-126.7 148.7 76.9 57.5 44.2 138 124 B C E > -C 127 0B 0 5,-1.7 4,-1.7 -2,-0.3 -11,-0.2 -0.684 22.0-138.2 -73.7 126.5 80.2 56.9 46.1 139 125 B F T 4 S+ 0 0 18 -13,-2.5 -44,-3.3 -2,-0.4 -41,-0.2 0.754 98.6 37.9 -55.7 -29.4 83.1 57.2 43.7 140 126 B F T 4 S+ 0 0 44 -14,-0.3 -46,-1.8 -47,-0.2 -1,-0.2 0.934 126.4 24.7 -91.2 -60.2 84.7 54.1 45.4 141 127 B C T 4 S- 0 0 43 -48,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.458 91.3-127.5 -90.8 -0.6 82.0 51.6 46.4 142 128 B Y < + 0 0 115 -4,-1.7 -3,-0.1 1,-0.2 -1,-0.1 0.310 51.0 162.4 71.1 -6.2 79.4 52.6 43.8 143 129 B G - 0 0 8 -6,-0.2 -5,-1.7 1,-0.1 2,-0.4 -0.200 25.2-150.2 -56.5 124.5 76.9 52.8 46.7 144 130 B G E +D 137 0B 36 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.823 19.6 172.2-105.4 131.9 73.8 54.8 45.7 145 131 B L E +D 136 0B 25 -9,-1.9 -9,-2.7 -2,-0.4 2,-0.2 -0.992 2.8 162.9-136.4 142.7 71.6 57.0 47.9 146 132 B Q + 0 0 91 -2,-0.3 -11,-0.1 -11,-0.2 -13,-0.1 -0.768 50.2 62.6-139.4-174.2 68.7 59.4 47.2 147 133 B S - 0 0 62 -2,-0.2 -1,-0.1 1,-0.2 2,-0.1 0.922 68.1-166.1 54.0 50.0 65.9 61.1 49.1 148 134 B W - 0 0 8 -14,-0.2 2,-0.3 -3,-0.1 -32,-0.3 -0.407 5.1-148.9 -65.5 137.7 68.2 63.0 51.4 149 135 B K > - 0 0 122 -33,-0.1 3,-2.3 -2,-0.1 -1,-0.0 -0.826 27.7 -83.6-112.2 152.2 66.4 64.4 54.4 150 136 B R T 3 S+ 0 0 212 -2,-0.3 -33,-0.1 1,-0.3 3,-0.1 -0.287 117.7 20.5 -48.2 126.2 67.1 67.6 56.4 151 137 B G T 3 S+ 0 0 76 -35,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.463 85.2 147.2 89.1 0.8 69.7 66.8 59.0 152 138 B D < - 0 0 38 -3,-2.3 -1,-0.3 -36,-0.2 3,-0.1 -0.548 41.6-143.6 -66.4 133.7 71.1 63.8 57.2 153 139 B D >> - 0 0 70 -2,-0.2 4,-2.0 1,-0.1 3,-0.7 -0.914 3.4-149.5 -99.5 110.4 74.9 63.4 57.8 154 140 B P H 3> S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.835 96.5 50.2 -46.6 -42.9 76.5 62.1 54.6 155 141 B W H 3> S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.884 110.6 50.5 -65.6 -37.0 79.3 60.2 56.5 156 142 B T H <> S+ 0 0 33 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.877 111.9 46.2 -66.6 -41.2 76.7 58.6 58.7 157 143 B E H X S+ 0 0 21 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.841 107.9 56.8 -73.7 -37.4 74.6 57.4 55.8 158 144 B H H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.938 113.1 42.3 -53.6 -47.3 77.6 56.1 53.9 159 145 B A H < S+ 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.890 113.4 51.7 -69.9 -41.9 78.4 54.0 57.0 160 146 B K H < S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.932 123.9 26.7 -56.3 -50.1 74.8 52.9 57.5 161 147 B W H < S+ 0 0 154 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.788 133.0 28.6 -92.6 -30.8 74.3 51.7 54.0 162 148 B F >< + 0 0 44 -4,-2.5 3,-2.0 -5,-0.4 -1,-0.2 -0.459 61.4 156.6-133.1 60.1 77.8 50.7 52.7 163 149 B P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.670 72.7 62.8 -64.6 -19.2 79.8 49.6 55.8 164 150 B G T 3 S+ 0 0 72 -3,-0.1 2,-0.2 4,-0.0 -5,-0.1 0.430 73.8 126.1 -81.7 -1.0 82.1 47.6 53.6 165 151 B C <> - 0 0 4 -3,-2.0 4,-2.5 -7,-0.2 5,-0.1 -0.424 51.5-153.4 -68.8 128.7 83.4 50.6 51.6 166 152 B Q H > S+ 0 0 131 2,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.781 96.4 52.7 -73.1 -28.8 87.2 50.9 51.6 167 153 B F H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.939 111.4 46.8 -73.1 -44.0 87.1 54.7 51.2 168 154 B L H >>S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.6 0.949 113.9 49.1 -52.6 -52.6 84.7 55.0 54.2 169 155 B L H X5S+ 0 0 74 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.946 113.2 45.2 -56.4 -54.8 87.0 52.6 56.2 170 156 B R H <5S+ 0 0 227 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 119.0 42.3 -59.3 -36.8 90.1 54.5 55.4 171 157 B S H <5S+ 0 0 56 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.875 133.0 16.5 -78.9 -39.9 88.5 57.9 56.1 172 158 B K H <5S- 0 0 88 -4,-3.2 4,-0.4 -5,-0.2 -3,-0.2 0.648 98.4-128.1-111.9 -20.4 86.6 57.0 59.3 173 159 B G X< - 0 0 28 -4,-2.7 4,-1.3 -5,-0.6 3,-0.2 0.090 29.8 -81.4 83.0 159.4 88.0 53.8 60.7 174 160 B Q H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.807 122.5 60.1 -71.2 -31.3 86.2 50.5 61.7 175 161 B E H > S+ 0 0 173 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 104.4 51.8 -63.1 -40.8 85.1 51.7 65.2 176 162 B Y H > S+ 0 0 60 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.924 112.2 44.8 -60.7 -47.5 83.1 54.5 63.6 177 163 B I H X S+ 0 0 2 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.945 113.5 49.8 -63.5 -49.8 81.3 52.1 61.2 178 164 B N H X S+ 0 0 80 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.889 107.9 53.8 -57.1 -43.1 80.6 49.5 63.9 179 165 B N H X S+ 0 0 94 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.883 105.9 52.4 -63.1 -40.9 79.1 52.1 66.3 180 166 B I H X S+ 0 0 10 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.939 113.8 44.2 -59.9 -43.3 76.6 53.4 63.7 181 167 B H H X S+ 0 0 75 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.834 115.0 48.6 -72.6 -31.8 75.4 49.8 63.2 182 168 B L H < S+ 0 0 104 -4,-2.4 4,-0.5 -5,-0.2 3,-0.3 0.883 112.1 46.7 -74.2 -40.1 75.3 49.0 66.9 183 169 B T H >< S+ 0 0 61 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.970 112.0 50.0 -68.1 -49.1 73.4 52.1 67.9 184 170 B H H 3< S+ 0 0 101 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.691 110.0 54.7 -60.2 -18.5 70.9 51.8 65.1 185 171 B S T 3< 0 0 83 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.441 360.0 360.0-102.2 -4.8 70.4 48.1 66.2 186 172 B L < 0 0 201 -3,-1.6 -2,-0.2 -4,-0.5 -3,-0.1 0.854 360.0 360.0 -86.3 360.0 69.6 48.6 69.9