==== 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 APOPTOSIS 27-MAR-09 3GT9 . COMPND 2 MOLECULE: BACULOVIRAL IAP REPEAT-CONTAINING 7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.FRANKLIN,W.J.FAIRBROTHER,F.COHEN . 179 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 60.3 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 29.6 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 1 0 0 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 98 0, 0.0 74,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-176.8 77.3 83.6 22.7 2 79 A P - 0 0 45 0, 0.0 47,-0.2 0, 0.0 48,-0.1 -0.335 360.0-134.9 -69.0 147.3 77.6 79.9 23.6 3 80 A A S S+ 0 0 60 46,-1.9 46,-0.2 1,-0.3 47,-0.1 0.857 105.6 24.2 -63.3 -37.2 74.7 77.5 22.6 4 81 A F > + 0 0 70 44,-2.8 3,-1.9 1,-0.1 -1,-0.3 -0.745 69.9 176.3-133.6 78.8 74.9 76.0 26.1 5 82 A P G > S+ 0 0 90 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.792 74.6 71.3 -57.7 -30.4 76.4 78.6 28.5 6 83 A G G 3 S+ 0 0 41 1,-0.3 3,-0.3 2,-0.1 6,-0.0 0.660 98.0 49.5 -61.1 -19.5 75.9 76.2 31.5 7 84 A M G < S+ 0 0 4 -3,-1.9 -1,-0.3 41,-0.2 41,-0.2 0.082 76.6 107.1-106.8 23.0 78.7 74.0 30.2 8 85 A G < + 0 0 35 -3,-2.0 2,-0.5 40,-0.1 -1,-0.2 0.700 58.2 89.7 -70.9 -21.0 81.2 76.8 29.7 9 86 A S > - 0 0 54 -3,-0.3 4,-2.2 -4,-0.2 5,-0.2 -0.692 69.5-150.5 -80.5 123.2 83.1 75.7 32.7 10 87 A E H > S+ 0 0 102 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.885 98.0 55.1 -58.6 -40.1 85.9 73.1 31.8 11 88 A E H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 107.7 48.3 -61.9 -42.4 85.5 71.5 35.3 12 89 A L H > S+ 0 0 31 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.915 111.9 50.3 -63.9 -41.6 81.8 71.0 34.8 13 90 A R H < S+ 0 0 5 -4,-2.2 3,-0.5 1,-0.2 25,-0.5 0.928 110.1 50.0 -60.1 -44.5 82.5 69.5 31.4 14 91 A L H >< S+ 0 0 34 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.907 105.7 56.5 -61.2 -41.8 85.1 67.2 32.9 15 92 A A H >< S+ 0 0 5 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.809 95.4 66.6 -59.9 -31.0 82.7 66.1 35.6 16 93 A S G >< S+ 0 0 23 -4,-1.3 3,-0.5 -3,-0.5 -1,-0.3 0.676 89.4 67.0 -65.7 -17.6 80.2 65.0 32.9 17 94 A F G X + 0 0 9 -3,-1.7 3,-1.9 -4,-0.4 -1,-0.3 0.181 61.0 113.7 -89.9 18.8 82.7 62.2 31.8 18 95 A Y G < S+ 0 0 76 -3,-1.3 -1,-0.2 1,-0.3 79,-0.2 0.815 88.0 36.2 -58.3 -29.2 82.3 60.2 35.1 19 96 A D G < S+ 0 0 57 -3,-0.5 -1,-0.3 76,-0.1 -2,-0.1 0.057 83.8 145.6-111.1 20.9 80.7 57.4 33.0 20 97 A W < - 0 0 13 -3,-1.9 3,-0.5 1,-0.1 23,-0.1 -0.421 38.5-154.8 -64.0 127.5 82.9 57.8 29.8 21 98 A P S S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.472 84.1 52.6 -83.9 -1.9 83.4 54.4 28.2 22 99 A L > + 0 0 37 4,-0.2 4,-3.2 1,-0.1 -2,-0.1 -0.215 59.1 143.2-129.5 42.6 86.7 55.2 26.5 23 100 A T T 4 S+ 0 0 87 -3,-0.5 -1,-0.1 1,-0.2 -3,-0.0 0.887 79.9 38.1 -55.1 -48.9 89.0 56.7 29.2 24 101 A A T 4 S+ 0 0 94 1,-0.2 -1,-0.2 -3,-0.1 36,-0.1 0.854 120.3 47.8 -69.3 -34.3 92.3 55.1 27.9 25 102 A E T 4 S+ 0 0 83 1,-0.3 35,-2.3 34,-0.1 -2,-0.2 0.876 130.7 10.4 -79.6 -42.0 91.3 55.6 24.2 26 103 A V S < S- 0 0 0 -4,-3.2 -1,-0.3 33,-0.2 -4,-0.2 -0.861 86.5-130.3-140.8 101.3 90.2 59.3 24.3 27 104 A P >> - 0 0 43 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.283 2.6-141.8 -58.5 127.5 91.0 61.1 27.6 28 105 A P H 3> S+ 0 0 10 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.847 102.7 62.6 -48.7 -38.4 88.1 63.0 29.3 29 106 A E H 3> S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.900 107.2 42.0 -57.6 -43.2 90.7 65.7 30.2 30 107 A L H <> S+ 0 0 80 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.882 114.2 51.4 -72.6 -40.3 91.3 66.4 26.5 31 108 A L H <>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 -2,-0.2 0.950 112.8 45.3 -59.3 -50.2 87.7 66.2 25.5 32 109 A A H ><5S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.2 -2,-0.2 0.901 111.1 52.9 -61.4 -43.6 86.7 68.7 28.3 33 110 A A H 3<5S+ 0 0 28 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.851 105.1 56.7 -59.5 -35.3 89.6 71.0 27.4 34 111 A A T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.290 126.9 -98.2 -82.3 8.2 88.4 71.0 23.8 35 112 A G T < 5S+ 0 0 0 -3,-1.7 13,-2.3 1,-0.3 2,-0.3 0.378 80.2 133.4 97.0 -1.3 84.9 72.3 24.8 36 113 A F E < -A 47 0A 0 -5,-2.2 2,-0.3 11,-0.2 -1,-0.3 -0.587 33.6-170.1 -91.3 141.7 83.1 68.9 24.8 37 114 A F E -A 46 0A 20 9,-2.4 9,-2.0 -2,-0.3 2,-0.4 -0.911 31.1-107.3-119.2 156.4 80.8 67.4 27.4 38 115 A H E -A 45 0A 11 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.672 15.2-155.9 -82.7 130.2 79.5 63.9 27.6 39 116 A T - 0 0 50 5,-2.2 -1,-0.1 -2,-0.4 6,-0.1 0.789 38.2-121.5 -72.2 -27.6 75.8 63.4 26.7 40 117 A G S S+ 0 0 35 4,-0.5 2,-0.6 1,-0.3 5,-0.1 0.095 82.6 105.6 104.0 -20.2 75.7 60.2 28.8 41 118 A H S > S- 0 0 124 3,-0.2 3,-2.1 2,-0.0 -1,-0.3 -0.861 96.6 -57.9 -95.3 119.9 74.6 58.0 25.8 42 119 A Q T 3 S- 0 0 120 -2,-0.6 -2,-0.2 1,-0.2 13,-0.0 -0.135 106.9 -33.8 50.0-132.4 77.4 55.8 24.5 43 120 A D T 3 S+ 0 0 24 -23,-0.1 2,-0.3 -22,-0.1 -1,-0.2 0.015 95.5 137.7-107.6 27.4 80.5 57.9 23.4 44 121 A K < + 0 0 65 -3,-2.1 -5,-2.2 11,-0.1 -4,-0.5 -0.573 26.1 175.4 -78.1 130.9 78.5 60.9 22.2 45 122 A V E -AB 38 54A 2 9,-2.7 9,-2.3 -2,-0.3 2,-0.3 -0.878 12.7-158.0-128.3 165.6 79.8 64.3 23.1 46 123 A R E -AB 37 53A 80 -9,-2.0 -9,-2.4 -2,-0.3 2,-0.4 -0.998 21.4-118.4-144.7 142.9 78.8 67.9 22.3 47 124 A C E > -A 36 0A 0 5,-2.1 4,-1.3 -2,-0.3 -11,-0.2 -0.669 17.7-143.1 -80.1 133.8 80.6 71.3 22.3 48 125 A F T 4 S+ 0 0 13 -13,-2.3 -44,-2.8 -2,-0.4 -45,-0.3 0.769 95.9 42.2 -66.7 -26.3 79.1 73.8 24.7 49 126 A F T 4 S+ 0 0 50 -47,-0.2 -46,-1.9 -14,-0.2 -1,-0.1 0.949 129.0 19.4 -89.5 -56.9 79.7 76.7 22.3 50 127 A C T 4 S- 0 0 46 -48,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.567 92.1-132.5 -91.1 -10.9 78.7 75.5 18.8 51 128 A Y < + 0 0 118 -4,-1.3 2,-0.3 1,-0.2 -3,-0.1 0.662 47.6 161.2 65.2 20.4 76.6 72.6 20.0 52 129 A G - 0 0 8 19,-0.1 -5,-2.1 -6,-0.1 2,-0.3 -0.546 28.1-145.1 -73.8 132.8 78.4 70.3 17.5 53 130 A G E -B 46 0A 36 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.805 16.5-174.8-104.0 141.9 78.0 66.6 18.3 54 131 A L E +B 45 0A 24 -9,-2.3 -9,-2.7 -2,-0.3 2,-0.2 -0.999 9.8 160.1-135.3 139.9 80.6 63.9 17.8 55 132 A Q + 0 0 104 -2,-0.4 -11,-0.1 -11,-0.2 -13,-0.1 -0.776 47.8 58.3-140.2-176.1 80.3 60.1 18.3 56 133 A S S S- 0 0 72 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.916 70.0-166.4 53.7 49.6 82.1 56.9 17.2 57 134 A W - 0 0 13 -14,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.447 6.9-145.4 -68.7 135.5 85.4 58.0 18.6 58 135 A K > - 0 0 139 -2,-0.2 3,-2.2 1,-0.1 -1,-0.0 -0.742 34.0 -85.0 -99.6 152.1 88.4 55.9 17.5 59 136 A R T 3 S+ 0 0 219 -2,-0.3 -33,-0.2 1,-0.3 3,-0.1 -0.291 116.1 17.5 -57.4 134.1 91.4 55.3 19.8 60 137 A G T 3 S+ 0 0 69 -35,-2.3 -1,-0.3 1,-0.3 -34,-0.1 0.411 83.7 151.7 81.9 -2.7 93.9 58.1 19.6 61 138 A D < - 0 0 40 -3,-2.2 -1,-0.3 -36,-0.2 -4,-0.0 -0.400 43.6-133.1 -54.8 135.7 91.4 60.6 18.1 62 139 A D > - 0 0 64 1,-0.1 4,-2.6 -3,-0.1 5,-0.3 -0.870 5.9-148.6 -99.0 115.7 92.5 64.1 19.2 63 140 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.876 97.1 47.4 -50.1 -47.4 89.5 66.2 20.4 64 141 A W H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.910 112.8 49.8 -61.9 -42.8 90.9 69.6 19.3 65 142 A T H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 113.0 46.2 -60.5 -46.1 91.7 68.1 15.8 66 143 A E H X S+ 0 0 31 -4,-2.6 4,-2.3 2,-0.2 5,-0.4 0.876 109.5 55.5 -65.1 -37.8 88.2 66.6 15.5 67 144 A H H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.930 113.4 40.9 -58.5 -47.5 86.6 69.9 16.7 68 145 A A H < S+ 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.848 113.1 54.8 -71.6 -36.5 88.4 71.8 13.9 69 146 A K H < S+ 0 0 110 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.937 123.6 22.9 -60.6 -48.9 87.8 69.1 11.3 70 147 A W H < S+ 0 0 142 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.779 134.8 30.5 -94.6 -31.5 84.0 69.0 11.7 71 148 A F >< + 0 0 47 -4,-2.4 3,-1.9 -5,-0.4 -1,-0.2 -0.455 62.5 156.6-129.7 61.8 83.2 72.5 13.2 72 149 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.658 71.9 60.8 -64.3 -17.6 85.8 74.9 11.9 73 150 A G T 3 S+ 0 0 58 -3,-0.1 2,-0.2 4,-0.0 -5,-0.1 0.404 72.1 125.1 -89.4 0.8 83.5 77.9 12.4 74 151 A C <> - 0 0 6 -3,-1.9 4,-2.1 -7,-0.2 5,-0.1 -0.449 51.7-153.5 -64.8 127.0 83.2 77.4 16.2 75 152 A Q H > S+ 0 0 107 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.784 94.6 55.5 -76.6 -29.5 84.3 80.6 18.0 76 153 A F H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 110.0 47.8 -62.3 -45.9 85.4 78.8 21.2 77 154 A L H >>S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.6 0.928 114.1 47.0 -56.4 -48.9 87.7 76.7 18.9 78 155 A L H X5S+ 0 0 49 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.945 113.9 46.2 -60.5 -49.8 88.9 79.9 17.2 79 156 A R H <5S+ 0 0 205 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 120.3 40.3 -61.3 -38.0 89.5 81.8 20.5 80 157 A S H <5S+ 0 0 53 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.904 132.1 18.2 -78.6 -44.9 91.3 78.8 22.1 81 158 A K H <5S- 0 0 83 -4,-3.1 4,-0.5 -5,-0.2 -3,-0.2 0.628 98.8-127.8-110.0 -19.1 93.4 77.5 19.2 82 159 A G X< - 0 0 28 -4,-2.1 4,-1.4 -5,-0.6 -3,-0.1 0.100 28.4 -81.7 85.6 160.6 93.6 80.3 16.6 83 160 A Q H > S+ 0 0 93 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.843 122.4 60.6 -70.0 -36.5 92.9 80.5 12.9 84 161 A E H > S+ 0 0 159 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 104.9 50.1 -57.6 -45.1 96.3 79.0 11.8 85 162 A Y H > S+ 0 0 54 -4,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.920 113.0 45.7 -57.4 -47.7 95.6 75.8 13.7 86 163 A I H >X S+ 0 0 2 -4,-1.4 4,-0.7 1,-0.2 3,-0.5 0.922 112.6 50.5 -64.6 -45.5 92.1 75.5 12.1 87 164 A N H >< S+ 0 0 96 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.864 106.4 55.3 -60.3 -39.7 93.4 76.2 8.6 88 165 A N H 3< S+ 0 0 137 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.761 99.6 59.8 -68.6 -26.7 96.2 73.6 8.9 89 166 A I H << 0 0 51 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.736 360.0 360.0 -73.0 -22.4 93.7 70.9 9.7 90 167 A H << 0 0 129 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.218 360.0 360.0-107.6 360.0 92.1 71.6 6.3 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 0 110 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-174.9 88.6 48.6 42.2 93 79 B P - 0 0 59 0, 0.0 45,-0.2 0, 0.0 46,-0.2 -0.379 360.0-143.7 -59.8 134.2 87.2 52.1 42.4 94 80 B A S S+ 0 0 40 44,-1.8 44,-0.2 1,-0.3 43,-0.1 0.882 93.3 17.7 -67.2 -42.1 83.9 52.4 40.7 95 81 B F S > S+ 0 0 24 42,-3.3 3,-1.8 1,-0.1 -1,-0.3 -0.697 71.2 179.9-133.9 75.8 84.5 56.0 39.3 96 82 B P G > S+ 0 0 91 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.824 79.5 57.9 -52.2 -40.5 88.2 56.6 39.5 97 83 B G G > S+ 0 0 51 1,-0.3 3,-0.9 -79,-0.2 6,-0.1 0.757 97.0 63.5 -62.8 -25.2 88.0 60.2 38.0 98 84 B M G < S+ 0 0 1 -3,-1.8 -1,-0.3 1,-0.2 39,-0.2 0.232 71.5 96.8 -86.5 14.7 85.6 61.2 40.8 99 85 B G G < + 0 0 36 -3,-1.7 2,-0.6 38,-0.1 -1,-0.2 0.703 64.5 91.1 -68.7 -21.9 88.4 60.6 43.4 100 86 B S S <> S- 0 0 55 -3,-0.9 4,-2.2 1,-0.2 5,-0.2 -0.684 70.6-154.2 -74.2 118.1 88.9 64.3 43.1 101 87 B E H > S+ 0 0 92 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.877 95.8 57.0 -60.7 -37.4 86.8 66.1 45.7 102 88 B E H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 108.2 46.5 -59.3 -42.6 86.7 69.2 43.6 103 89 B L H > S+ 0 0 14 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.880 110.8 52.1 -69.6 -37.8 85.3 67.2 40.7 104 90 B R H < S+ 0 0 9 -4,-2.2 25,-0.5 2,-0.2 4,-0.4 0.940 110.5 48.5 -59.9 -45.6 82.7 65.6 43.0 105 91 B L H >< S+ 0 0 63 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.908 106.6 57.2 -61.6 -40.4 81.7 69.0 44.2 106 92 B A H >< S+ 0 0 15 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.839 94.5 66.7 -57.4 -35.3 81.4 70.2 40.5 107 93 B S G >< S+ 0 0 7 -4,-1.5 3,-0.6 -3,-0.4 -1,-0.3 0.681 89.4 67.3 -62.4 -18.4 78.9 67.4 39.8 108 94 B F G X + 0 0 12 -3,-1.6 3,-1.8 -4,-0.4 -1,-0.3 0.242 62.8 108.9 -87.7 13.9 76.5 69.2 42.1 109 95 B Y G < S+ 0 0 122 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.802 90.4 35.6 -56.3 -29.0 76.1 72.1 39.7 110 96 B D G < S+ 0 0 81 -3,-0.6 -1,-0.3 19,-0.0 -2,-0.1 -0.056 82.1 148.5-118.2 28.9 72.6 70.8 39.0 111 97 B W < - 0 0 23 -3,-1.8 -3,-0.1 1,-0.1 18,-0.0 -0.429 61.5 -95.4 -58.4 133.1 71.7 69.6 42.5 112 98 B P > - 0 0 42 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.292 21.3-137.0 -59.2 139.0 67.9 70.0 43.0 113 99 B L T 3 S+ 0 0 180 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.609 105.2 61.8 -70.8 -11.6 66.9 73.2 44.7 114 100 B T T 3 S+ 0 0 125 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.532 79.9 118.0 -85.4 -10.9 64.4 71.1 46.7 115 101 B A < - 0 0 26 -3,-1.6 32,-0.1 1,-0.1 -4,-0.0 -0.197 53.5-155.5 -62.9 151.1 67.3 69.0 48.2 116 102 B E S S+ 0 0 93 30,-0.4 33,-0.4 1,-0.1 -1,-0.1 0.404 72.5 64.6-111.7 -1.3 67.7 69.1 52.0 117 103 B V S S- 0 0 7 31,-0.1 29,-0.1 29,-0.1 -1,-0.1 -0.992 85.2-115.4-127.6 132.4 71.4 68.2 52.3 118 104 B P >> - 0 0 64 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.384 11.6-128.6 -75.3 142.1 74.2 70.4 50.9 119 105 B P H 3> S+ 0 0 36 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.844 104.9 62.3 -45.6 -44.2 76.6 69.5 48.1 120 106 B E H 3> S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.901 107.0 42.7 -57.8 -43.9 79.7 70.4 50.2 121 107 B L H <> S+ 0 0 78 -3,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.880 114.8 50.1 -69.7 -39.5 79.0 67.7 52.8 122 108 B L H ><>S+ 0 0 0 -4,-1.7 5,-2.0 2,-0.2 3,-0.7 0.949 110.9 48.4 -64.7 -48.9 78.0 65.0 50.3 123 109 B A H ><5S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.882 107.7 56.3 -58.4 -40.1 81.2 65.6 48.2 124 110 B A H 3<5S+ 0 0 29 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.803 103.5 55.2 -62.4 -29.7 83.3 65.4 51.4 125 111 B A T <<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.214 128.0 -95.1 -91.4 14.3 81.9 62.0 52.1 126 112 B G T < 5S+ 0 0 0 -3,-1.6 11,-2.3 1,-0.3 2,-0.2 0.380 83.1 131.8 94.6 -1.7 82.9 60.6 48.7 127 113 B F E < -C 136 0B 0 -5,-2.0 2,-0.3 9,-0.2 -1,-0.3 -0.584 32.2-174.6 -91.3 143.9 79.6 61.2 46.9 128 114 B F E -C 135 0B 0 7,-2.3 7,-2.4 -2,-0.2 2,-0.3 -0.954 29.8-105.6-131.1 156.2 79.0 62.8 43.6 129 115 B H E C 134 0B 21 -25,-0.5 5,-0.2 -2,-0.3 -20,-0.1 -0.615 360.0 360.0 -87.3 132.8 75.7 63.6 41.9 130 116 B T 0 0 53 3,-1.7 3,-0.4 -2,-0.3 -23,-0.0 -0.911 360.0 360.0-115.4 360.0 74.2 61.6 39.0 131 ! 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 0.0 132 120 B D 0 0 49 0, 0.0 2,-0.2 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 36.8 68.9 64.0 44.5 133 121 B K + 0 0 107 -3,-0.4 -3,-1.7 11,-0.1 2,-0.3 -0.518 360.0 176.4 -75.8 135.6 70.8 60.8 43.6 134 122 B V E -CD 129 143B 1 9,-2.4 9,-2.0 -5,-0.2 2,-0.3 -0.942 13.0-158.3-131.3 158.8 74.4 60.4 44.5 135 123 B R E -CD 128 142B 72 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.4 -0.984 25.7-114.2-130.9 147.5 77.0 57.6 44.2 136 124 B C E > -C 127 0B 0 5,-1.9 4,-1.6 -2,-0.3 -9,-0.2 -0.671 21.4-138.2 -75.1 131.9 80.2 57.0 46.0 137 125 B F T 4 S+ 0 0 18 -11,-2.3 -42,-3.3 -2,-0.4 -43,-0.2 0.772 98.5 37.1 -61.8 -26.6 83.2 57.3 43.7 138 126 B F T 4 S+ 0 0 45 -45,-0.2 -44,-1.8 -12,-0.2 -1,-0.1 0.942 127.4 24.6 -92.1 -58.4 84.8 54.2 45.3 139 127 B C T 4 S- 0 0 44 -46,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.496 91.6-127.6 -92.5 -4.9 82.1 51.6 46.2 140 128 B Y < + 0 0 119 -4,-1.6 -3,-0.1 1,-0.2 -1,-0.0 0.234 50.5 160.8 78.6 -10.4 79.4 52.6 43.7 141 129 B G - 0 0 8 -6,-0.2 -5,-1.9 1,-0.1 2,-0.4 -0.154 25.3-153.0 -54.8 126.4 76.9 52.9 46.6 142 130 B G E +D 135 0B 33 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.858 16.3 177.1-108.9 135.8 73.9 55.0 45.5 143 131 B L E +D 134 0B 26 -9,-2.0 -9,-2.4 -2,-0.4 2,-0.2 -0.990 4.6 163.3-135.6 143.9 71.6 57.0 47.8 144 132 B Q + 0 0 98 -2,-0.3 -11,-0.1 -11,-0.2 -2,-0.0 -0.810 49.2 60.2-142.9-175.6 68.7 59.3 47.2 145 133 B S - 0 0 63 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.934 69.2-165.5 53.4 51.0 65.7 61.0 49.0 146 134 B W - 0 0 10 -14,-0.2 -30,-0.4 -3,-0.1 2,-0.3 -0.477 3.0-149.9 -68.2 133.3 68.1 62.8 51.4 147 135 B K > - 0 0 127 -2,-0.2 3,-2.4 -31,-0.1 -1,-0.0 -0.748 29.1 -85.6-106.4 153.7 66.2 64.2 54.4 148 136 B R T 3 S+ 0 0 196 -2,-0.3 -31,-0.1 1,-0.3 3,-0.1 -0.343 118.4 23.9 -53.5 129.9 67.0 67.3 56.5 149 137 B G T 3 S+ 0 0 76 -33,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.320 84.6 140.6 91.0 -8.7 69.6 66.2 59.2 150 138 B D < - 0 0 44 -3,-2.4 -1,-0.3 -34,-0.1 3,-0.1 -0.518 45.0-144.3 -62.6 132.6 70.9 63.3 57.2 151 139 B D > - 0 0 65 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.918 2.3-146.2-103.4 115.8 74.7 63.1 57.7 152 140 B P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.878 98.7 48.0 -48.0 -47.1 76.5 61.9 54.5 153 141 B W H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.922 112.6 49.1 -62.3 -43.3 79.2 60.1 56.4 154 142 B T H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.917 113.0 46.9 -61.7 -44.2 76.7 58.4 58.7 155 143 B E H X S+ 0 0 32 -4,-2.6 4,-2.6 2,-0.2 5,-0.4 0.878 108.7 55.5 -66.0 -38.2 74.6 57.3 55.7 156 144 B H H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.935 113.5 41.7 -57.0 -46.8 77.7 56.1 53.9 157 145 B A H < S+ 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.877 113.6 52.8 -70.2 -40.4 78.5 53.8 56.9 158 146 B K H < S+ 0 0 106 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.952 123.3 25.1 -58.2 -52.1 74.9 52.7 57.4 159 147 B W H < S+ 0 0 138 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.789 133.1 30.7 -90.6 -29.7 74.3 51.6 53.8 160 148 B F >< + 0 0 45 -4,-2.3 3,-1.9 -5,-0.4 -1,-0.2 -0.451 61.1 156.2-131.6 60.0 77.8 50.7 52.5 161 149 B P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.653 72.4 61.7 -65.1 -16.4 79.9 49.5 55.5 162 150 B G T 3 S+ 0 0 72 -3,-0.1 2,-0.2 4,-0.0 -5,-0.1 0.436 72.9 125.9 -86.9 -1.3 82.3 47.5 53.3 163 151 B C <> - 0 0 5 -3,-1.9 4,-2.1 -7,-0.2 5,-0.1 -0.413 51.9-153.2 -64.8 126.8 83.5 50.6 51.4 164 152 B Q H > S+ 0 0 133 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.811 96.1 53.8 -71.9 -32.6 87.3 50.9 51.5 165 153 B F H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 110.0 48.2 -63.7 -46.2 87.2 54.7 51.1 166 154 B L H >>S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.6 0.926 112.8 49.0 -56.4 -47.0 84.8 54.9 54.1 167 155 B L H X5S+ 0 0 72 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.934 112.8 45.6 -61.7 -48.7 87.2 52.6 56.0 168 156 B R H <5S+ 0 0 222 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.857 119.0 43.6 -61.8 -36.3 90.3 54.6 55.2 169 157 B S H <5S+ 0 0 55 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.869 132.5 13.0 -78.7 -40.4 88.5 57.9 56.0 170 158 B K H <5S- 0 0 81 -4,-2.8 4,-0.4 -5,-0.2 -3,-0.2 0.646 97.3-124.6-116.6 -23.4 86.7 57.0 59.2 171 159 B G X< - 0 0 27 -4,-1.9 4,-1.2 -5,-0.6 -3,-0.1 0.021 30.3 -82.0 88.8 160.7 88.0 53.7 60.6 172 160 B Q H > S+ 0 0 95 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.846 122.4 59.8 -70.7 -36.7 86.3 50.5 61.5 173 161 B E H > S+ 0 0 168 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.902 103.7 52.1 -59.5 -43.0 85.1 51.6 65.0 174 162 B Y H > S+ 0 0 58 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.916 113.0 44.9 -56.5 -45.8 83.1 54.5 63.5 175 163 B I H X S+ 0 0 2 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.947 114.1 47.8 -66.8 -50.8 81.4 52.0 61.1 176 164 B N H X S+ 0 0 78 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.902 108.5 55.3 -56.5 -44.6 80.7 49.4 63.7 177 165 B N H >X S+ 0 0 90 -4,-2.7 4,-2.5 1,-0.2 3,-0.6 0.886 105.2 52.2 -58.6 -41.6 79.3 52.0 66.1 178 166 B I H 3< S+ 0 0 31 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.879 111.1 47.8 -62.0 -37.4 76.8 53.2 63.5 179 167 B H H 3< S+ 0 0 102 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.572 114.4 46.9 -81.4 -9.0 75.6 49.5 63.1 180 168 B L H << 0 0 143 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.752 360.0 360.0 -96.4 -33.7 75.4 49.0 66.9 181 169 B T < 0 0 134 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.951 360.0 360.0 -83.6 360.0 73.5 52.3 67.6