==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (APOPTOSIS/PEPTIDE) 16-OCT-96 1BXL . COMPND 2 MOLECULE: BCL-XL; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.SATTLER,H.LIANG,D.NETTESHEIM,R.P.MEADOWS,J.E.HARLAN, . 197 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 68.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.0 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 1 0 1 0 1 1 0 0 1 0 0 0 0 1 2 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -3 A M 0 0 237 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 29.9 5.5 20.1 16.7 2 -2 A S + 0 0 94 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.056 360.0 146.3 -68.6-180.0 2.7 18.0 15.2 3 -1 A M S S- 0 0 142 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.129 81.5 -3.8 175.9 -36.9 0.7 19.2 12.1 4 0 A A S > S+ 0 0 26 3,-0.1 4,-1.0 37,-0.0 5,-0.1 0.055 82.8 121.3-166.3 37.9 -0.3 16.2 10.0 5 1 A M T 4 S+ 0 0 57 2,-0.2 4,-0.3 3,-0.1 142,-0.1 0.857 93.3 27.8 -78.1 -32.8 1.2 13.0 11.5 6 2 A S T > S+ 0 0 58 2,-0.1 4,-0.8 1,-0.1 3,-0.3 0.802 123.4 49.8 -95.7 -34.6 -2.2 11.4 11.9 7 3 A Q H > S+ 0 0 106 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.843 101.5 64.1 -73.2 -30.8 -4.0 13.2 9.0 8 4 A S H X S+ 0 0 13 -4,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.836 92.2 66.4 -62.6 -28.5 -1.2 12.3 6.6 9 5 A N H >> S+ 0 0 4 -3,-0.3 4,-1.8 -4,-0.3 3,-0.9 0.983 102.2 43.6 -57.5 -57.1 -2.1 8.6 7.1 10 6 A R H 3X S+ 0 0 125 -4,-0.8 4,-1.7 1,-0.2 -1,-0.3 0.751 110.4 60.5 -61.2 -19.1 -5.5 9.0 5.4 11 7 A E H 3X S+ 0 0 76 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.846 103.3 48.3 -78.1 -32.3 -3.6 11.1 2.8 12 8 A L H X S+ 0 0 8 -4,-1.5 4,-1.0 -5,-0.3 3,-0.7 0.995 112.6 33.1 -61.0 -61.8 -4.6 3.0 -8.8 21 17 A L H 3X>S+ 0 0 0 -4,-1.9 5,-1.6 1,-0.2 4,-1.2 0.917 113.0 62.7 -62.3 -40.0 -8.1 3.5 -10.4 22 18 A S H 3<5S+ 0 0 83 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.849 95.8 64.0 -54.9 -30.1 -6.7 6.4 -12.5 23 19 A Q H <<5S+ 0 0 105 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.994 109.6 33.6 -58.4 -64.1 -4.4 3.7 -14.1 24 20 A K H <5S- 0 0 148 -4,-1.0 -2,-0.2 1,-0.1 -3,-0.1 0.985 126.1 -86.6 -55.7 -76.0 -7.1 1.6 -15.6 25 21 A G T <5S+ 0 0 57 -4,-1.2 2,-0.3 1,-0.1 -3,-0.2 0.238 84.8 110.8 166.9 44.0 -9.6 4.4 -16.5 26 22 A Y < - 0 0 86 -5,-1.6 2,-0.2 4,-0.0 -1,-0.1 -0.948 59.1-119.1-132.3 154.2 -11.9 5.2 -13.6 27 23 A S - 0 0 63 -2,-0.3 4,-0.2 1,-0.1 -2,-0.0 -0.519 12.0-157.7 -88.5 160.0 -12.3 8.3 -11.3 28 24 A W S > S+ 0 0 22 -2,-0.2 3,-1.7 2,-0.1 4,-0.3 0.839 89.6 51.2-102.9 -53.4 -11.8 8.0 -7.5 29 25 A S G > S+ 0 0 78 1,-0.3 3,-0.8 2,-0.2 -1,-0.0 0.763 91.6 83.7 -57.6 -20.8 -13.6 11.1 -6.1 30 26 A Q G 3 S+ 0 0 128 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.889 116.4 6.6 -51.8 -38.4 -16.6 9.9 -8.2 31 27 A F G < S+ 0 0 20 -3,-1.7 97,-0.4 -4,-0.2 2,-0.4 0.042 122.0 76.8-133.9 28.3 -17.5 7.5 -5.4 32 28 A S S < S- 0 0 3 -3,-0.8 -1,-0.1 -4,-0.3 -4,-0.0 -0.958 112.7 -17.0-142.9 123.3 -15.1 8.4 -2.6 33 29 A D S S+ 0 0 98 -2,-0.4 -4,-0.1 1,-0.1 -1,-0.1 0.837 78.4 156.5 54.8 28.6 -15.3 11.5 -0.3 34 30 A V + 0 0 90 -4,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.849 39.7 103.1 -55.5 -30.1 -17.8 12.9 -2.9 35 31 A E S S- 0 0 160 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.333 74.5-135.8 -55.8 122.2 -19.1 15.0 -0.0 36 32 A E S S+ 0 0 175 -2,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.266 70.3 88.7 -62.3-159.7 -17.7 18.5 -0.6 37 33 A N + 0 0 151 1,-0.1 2,-0.2 2,-0.0 -2,-0.0 0.988 57.6 172.4 66.9 77.5 -16.3 20.6 2.3 38 34 A R - 0 0 180 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 -0.487 39.6-129.5-108.2-177.7 -12.6 19.5 2.3 39 35 A T - 0 0 91 -2,-0.2 2,-0.5 1,-0.0 -1,-0.1 0.719 24.1-151.2-104.2 -27.5 -9.6 20.8 4.3 40 36 A E - 0 0 150 3,-0.0 -1,-0.0 2,-0.0 -2,-0.0 -0.038 29.1-134.3 80.8 -34.7 -7.1 21.2 1.3 41 37 A A - 0 0 58 -2,-0.5 -37,-0.0 1,-0.1 -3,-0.0 0.164 23.9 -86.1 67.4 162.6 -4.1 20.6 3.6 42 38 A P S S- 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.933 81.8 -69.9 -71.6 -50.6 -1.0 22.7 3.6 43 39 A E - 0 0 160 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.182 60.8-109.6-177.1 -38.8 0.8 20.9 0.7 44 40 A G + 0 0 29 3,-0.0 -3,-0.0 2,-0.0 -40,-0.0 0.701 37.5 174.0 91.7 103.8 1.9 17.4 1.8 45 41 A T S >> S+ 0 0 81 2,-0.1 3,-0.9 3,-0.1 4,-0.6 0.688 74.7 60.2-112.5 -30.4 5.7 16.8 2.3 46 42 A E H 3> S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.900 98.1 60.3 -67.0 -37.4 5.8 13.3 3.8 47 43 A S H 34>S+ 0 0 28 3,-0.2 5,-0.7 2,-0.2 4,-0.4 0.701 89.8 78.8 -64.6 -14.3 4.0 11.9 0.7 48 44 A E H <>5S+ 0 0 141 -3,-0.9 4,-1.4 3,-0.2 -2,-0.2 0.981 114.1 10.1 -57.2 -78.1 7.0 13.2 -1.4 49 85 A A H X5S+ 0 0 51 -4,-0.6 4,-2.0 2,-0.2 5,-0.2 0.833 133.5 55.6 -72.8 -29.8 9.6 10.4 -0.6 50 86 A V H X5S+ 0 0 7 -4,-1.8 4,-1.6 -5,-0.3 3,-0.3 1.000 110.8 39.6 -66.0 -67.2 6.9 8.2 1.1 51 87 A K H >5S+ 0 0 8 -4,-0.4 4,-1.6 -5,-0.3 5,-0.2 0.868 112.1 62.0 -50.9 -35.4 4.4 8.0 -1.8 52 88 A Q H >XS+ 0 0 6 -4,-1.3 5,-1.4 -3,-0.4 4,-1.3 0.950 116.2 31.0 -73.1 -46.4 2.5 -11.5 -6.9 66 102 A R H <5S+ 0 0 124 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.1 0.869 119.0 55.8 -78.3 -35.1 1.2 -12.6 -10.2 67 103 A R H <5S+ 0 0 186 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.659 118.1 35.4 -70.9 -13.0 4.7 -13.6 -11.5 68 104 A A H <5S- 0 0 41 -4,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.591 145.1 -19.4-114.6 -16.7 5.0 -15.9 -8.4 69 105 A F T <5S- 0 0 89 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.225 96.9 -77.5-152.2 -73.4 1.4 -17.2 -8.0 70 106 A S < - 0 0 63 -5,-1.4 -1,-0.2 0, 0.0 -2,-0.2 -0.949 59.8 -42.4-178.1-163.2 -1.5 -15.3 -9.6 71 107 A D - 0 0 62 -2,-0.3 4,-0.1 -5,-0.1 -9,-0.0 -0.287 39.5-143.3 -79.5 171.0 -3.8 -12.2 -9.3 72 108 A L S >> S+ 0 0 4 2,-0.1 4,-1.4 3,-0.1 3,-1.0 0.857 95.9 32.9-100.5 -64.3 -5.3 -11.1 -5.9 73 109 A T T 34 S+ 0 0 15 1,-0.3 -2,-0.0 2,-0.2 37,-0.0 0.849 109.2 70.1 -63.7 -29.9 -8.8 -9.8 -6.6 74 110 A S T 34 S+ 0 0 87 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.885 105.1 41.2 -55.4 -34.1 -9.1 -12.4 -9.4 75 111 A Q T <4 S+ 0 0 100 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.2 0.798 109.8 72.0 -83.4 -28.7 -9.2 -15.0 -6.6 76 112 A L < - 0 0 19 -4,-1.4 7,-0.1 1,-0.1 -3,-0.0 -0.237 69.8-148.6 -78.5 174.6 -11.5 -12.8 -4.4 77 113 A H - 0 0 144 5,-0.2 -1,-0.1 2,-0.1 6,-0.1 0.701 25.0-155.0-113.9 -35.9 -15.2 -12.2 -5.2 78 114 A I + 0 0 3 4,-0.2 5,-0.1 1,-0.1 48,-0.0 0.569 24.5 154.3 65.0 135.4 -15.7 -8.7 -3.8 79 115 A T >> - 0 0 48 44,-0.1 2,-1.8 47,-0.1 4,-0.7 -0.829 54.1 -92.7 173.9 148.2 -19.2 -7.6 -2.7 80 116 A P T 34 S+ 0 0 83 0, 0.0 46,-0.0 0, 0.0 45,-0.0 -0.521 116.4 32.0 -74.0 83.4 -20.9 -5.2 -0.3 81 117 A G T 34 S+ 0 0 67 -2,-1.8 4,-0.1 45,-0.0 -3,-0.0 -0.016 125.7 32.5 160.3 -40.4 -21.3 -7.5 2.6 82 118 A T T <> S+ 0 0 94 -3,-0.6 4,-0.7 2,-0.1 -4,-0.2 0.023 91.4 92.5-128.9 28.0 -18.4 -10.0 2.7 83 119 A A H X S+ 0 0 1 -4,-0.7 4,-1.8 2,-0.2 3,-0.5 0.912 82.1 52.6 -87.8 -49.0 -15.6 -7.8 1.2 84 120 A Y H > S+ 0 0 118 1,-0.2 4,-1.3 -5,-0.2 -1,-0.1 0.862 106.6 57.8 -55.7 -31.8 -14.1 -6.4 4.4 85 121 A Q H > S+ 0 0 86 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 102.8 52.6 -66.6 -41.0 -13.9 -10.1 5.6 86 122 A S H >X S+ 0 0 31 -4,-0.7 4,-1.8 -3,-0.5 3,-0.8 0.981 111.9 43.7 -59.4 -55.1 -11.7 -11.0 2.5 87 123 A F H 3X S+ 0 0 26 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.784 108.9 61.9 -62.0 -22.1 -9.2 -8.2 3.2 88 124 A E H 3X S+ 0 0 68 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.865 103.2 48.2 -72.7 -33.3 -9.4 -9.2 6.9 89 125 A Q H - 0 0 103 -2,-0.4 3,-1.1 -6,-0.1 4,-0.4 -0.808 37.0-102.9-103.2 143.4 7.4 -6.2 9.8 101 137 A W T 3 S+ 0 0 32 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 -0.088 102.5 48.4 -54.5 162.1 8.2 -3.9 6.9 102 138 A G T 3> S+ 0 0 7 1,-0.1 4,-2.0 95,-0.1 5,-0.2 -0.339 97.0 70.5 99.9 -54.3 7.2 -5.3 3.5 103 139 A R H <> S+ 0 0 45 -3,-1.1 4,-1.4 -2,-0.6 -2,-0.1 0.803 92.6 60.8 -67.3 -25.1 3.7 -6.3 4.4 104 140 A I H > S+ 0 0 4 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.936 106.9 42.9 -68.7 -43.8 2.7 -2.6 4.6 105 141 A V H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.944 112.8 51.9 -68.5 -44.8 3.6 -2.0 0.9 106 142 A A H X S+ 0 0 3 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.851 109.3 52.4 -60.8 -29.6 1.9 -5.2 -0.2 107 143 A F H X S+ 0 0 9 -4,-1.4 4,-1.9 -5,-0.2 5,-0.3 0.824 105.5 55.3 -76.0 -29.1 -1.2 -4.1 1.7 108 144 A F H X S+ 0 0 1 -4,-1.3 4,-1.7 -3,-0.4 -2,-0.2 0.985 115.1 35.2 -67.5 -56.7 -1.2 -0.7 -0.0 109 145 A S H X S+ 0 0 2 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.808 114.4 61.8 -68.5 -26.4 -1.3 -2.1 -3.6 110 146 A F H >X S+ 0 0 3 -4,-1.3 4,-1.8 -5,-0.4 3,-0.6 0.987 106.7 41.1 -64.4 -56.4 -3.5 -5.0 -2.4 111 147 A G H 3X S+ 0 0 5 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.915 111.5 57.9 -58.8 -40.3 -6.4 -2.8 -1.2 112 148 A G H 3X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.871 104.1 53.6 -59.6 -32.8 -6.0 -0.6 -4.3 113 149 A A H <>S+ 0 0 0 -4,-1.2 5,-1.3 -5,-0.4 3,-0.6 0.971 103.3 42.3 -62.3 -51.5 -14.7 -3.3 -7.3 119 155 A V H ><5S+ 0 0 20 -4,-1.9 3,-1.6 -3,-0.5 -1,-0.2 0.910 111.9 55.5 -62.9 -38.9 -15.8 -0.4 -9.7 120 156 A D H 3<5S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.797 105.1 54.3 -65.1 -24.1 -15.7 -2.8 -12.7 121 157 A K T <<5S- 0 0 88 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.070 124.5-102.6 -96.8 26.9 -18.1 -5.1 -10.8 122 158 A E T < 5S+ 0 0 178 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.965 83.3 131.8 54.7 51.9 -20.6 -2.2 -10.3 123 159 A M >< + 0 0 13 -5,-1.3 4,-1.6 1,-0.1 3,-0.3 -0.360 9.5 147.5-130.7 55.7 -19.5 -1.8 -6.6 124 160 A Q H >> S+ 0 0 112 1,-0.3 4,-1.4 2,-0.2 3,-0.6 0.952 78.6 52.1 -56.7 -47.5 -19.0 1.9 -6.2 125 161 A V H 3> S+ 0 0 77 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.865 104.0 59.5 -58.5 -31.5 -20.1 1.7 -2.5 126 162 A L H 3> S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.900 98.4 58.9 -65.0 -37.3 -17.5 -1.1 -2.1 127 163 A V H S+ 0 0 21 -4,-1.6 5,-2.1 1,-0.2 4,-0.8 0.865 115.8 50.7 -54.9 -32.2 -5.8 -0.0 9.6 138 174 A L H <5S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.893 115.5 40.2 -73.8 -38.0 -3.0 2.5 8.9 139 175 A N H <5S+ 0 0 42 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.309 125.1 38.5 -92.8 11.2 -4.2 4.8 11.7 140 176 A D H <5S+ 0 0 95 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.1 0.642 129.6 10.6-122.5 -70.4 -4.9 1.9 14.1 141 177 A H T <5S+ 0 0 112 -4,-0.8 4,-0.3 -5,-0.2 -3,-0.2 0.910 135.1 42.7 -82.0 -43.3 -2.4 -1.0 14.0 142 178 A L S > S+ 0 0 45 -6,-0.3 4,-1.4 1,-0.2 5,-0.3 0.976 98.4 41.4 -72.5 -54.7 -0.1 3.9 13.8 144 180 A P H 4 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.531 120.7 46.4 -71.4 -5.3 1.6 2.8 17.1 145 181 A W H > S+ 0 0 67 -4,-0.3 4,-0.6 3,-0.1 -2,-0.2 0.703 111.0 48.2-108.2 -26.4 4.3 0.9 15.1 146 182 A I H ><>S+ 0 0 5 -4,-1.5 3,-1.1 2,-0.2 5,-0.6 0.973 112.6 44.3 -78.6 -58.5 5.2 3.6 12.5 147 183 A Q G ><5S+ 0 0 102 -4,-1.4 3,-0.6 -5,-0.3 -1,-0.2 0.780 99.0 79.2 -57.5 -21.8 5.6 6.7 14.8 148 184 A E G 345S- 0 0 123 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.940 121.3 -3.1 -53.5 -48.1 7.6 4.4 17.1 149 185 A N G <<5S- 0 0 98 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 -0.275 117.8 -74.1-142.2 54.8 10.7 4.7 14.9 150 186 A G T <>5 - 0 0 36 -3,-0.6 4,-1.4 1,-0.1 5,-0.3 0.965 52.1-170.7 52.7 82.4 9.8 6.8 11.8 151 187 A G H > S+ 0 0 14 2,-0.2 4,-1.4 3,-0.1 5,-0.2 0.867 115.5 44.7 -93.1 -40.9 7.7 6.6 6.8 153 189 A D H > S+ 0 0 121 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.875 120.4 43.8 -69.6 -32.4 11.3 7.7 6.8 154 190 A T H X S+ 0 0 32 -4,-1.4 4,-1.8 2,-0.2 5,-0.4 0.931 108.6 55.2 -77.4 -45.8 12.3 4.0 7.4 155 191 A F H X S+ 0 0 4 -4,-1.0 4,-1.3 1,-0.3 -2,-0.2 0.847 113.3 44.9 -56.6 -29.5 9.9 2.5 4.9 156 192 A V H < S+ 0 0 26 -4,-1.4 4,-0.4 2,-0.2 -1,-0.3 0.800 106.3 59.1 -84.5 -28.8 11.5 4.8 2.3 157 193 A E H < S+ 0 0 144 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.807 119.0 30.1 -70.2 -26.4 15.1 4.0 3.5 158 194 A L H < S+ 0 0 41 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.689 133.8 31.8-104.0 -23.6 14.5 0.3 2.7 159 195 A Y S < S+ 0 0 11 -4,-1.3 3,-0.2 -5,-0.4 -102,-0.2 -0.124 85.4 142.7-124.0 37.8 12.0 0.7 -0.2 160 196 A G S > S- 0 0 17 -4,-0.4 3,-1.9 1,-0.2 4,-0.3 0.233 70.7 -34.9 -60.7-163.6 13.3 4.0 -1.7 161 197 A N T 3 S- 0 0 80 1,-0.3 -1,-0.2 2,-0.1 -108,-0.1 -0.394 135.9 -13.5 -59.9 120.3 13.3 4.5 -5.5 162 198 A N T 3> S+ 0 0 76 -2,-0.2 4,-1.4 -3,-0.2 -1,-0.3 0.907 90.7 149.9 53.2 40.6 14.1 1.1 -7.0 163 199 A A H <> + 0 0 13 -3,-1.9 4,-1.4 2,-0.2 5,-0.2 0.877 62.6 62.3 -72.9 -34.9 15.1 -0.1 -3.5 164 200 A A H >> S+ 0 0 25 -4,-0.3 3,-0.6 1,-0.2 4,-0.5 0.962 112.1 36.2 -55.4 -50.7 14.1 -3.7 -4.3 165 201 A A H >> S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.797 112.5 61.3 -73.7 -25.1 16.7 -3.9 -7.1 166 202 A E H 3< S+ 0 0 108 -4,-1.4 5,-0.5 1,-0.2 -1,-0.2 0.703 93.4 64.9 -74.6 -15.7 19.1 -1.8 -5.1 167 203 A S H << S+ 0 0 45 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.809 111.7 34.4 -76.4 -26.0 19.1 -4.5 -2.4 168 204 A R H << S+ 0 0 168 -3,-0.6 4,-0.3 -4,-0.5 -2,-0.2 0.716 134.6 26.6 -98.2 -24.7 20.8 -6.9 -4.8 169 205 A K S < S+ 0 0 155 -4,-1.7 3,-0.4 2,-0.1 -3,-0.2 0.845 119.5 51.1-102.1 -54.7 22.9 -4.3 -6.7 170 206 A G S S+ 0 0 25 -5,-0.4 3,-0.4 1,-0.2 -3,-0.2 0.765 94.4 82.9 -55.8 -21.5 23.5 -1.5 -4.2 171 207 A Q + 0 0 78 -5,-0.5 2,-1.8 1,-0.2 3,-0.3 0.962 50.5 135.4 -47.0 -69.8 24.7 -4.3 -1.8 172 208 A E > + 0 0 106 -3,-0.4 4,-2.0 -4,-0.3 5,-0.4 -0.304 59.5 60.3 57.9 -83.7 28.2 -4.5 -3.2 173 209 A R T 4 S+ 0 0 193 -2,-1.8 -1,-0.2 -3,-0.4 3,-0.2 0.906 122.7 13.6 -39.4 -90.3 30.1 -4.6 0.2 174 210 A L T 4 S+ 0 0 110 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.593 119.9 73.4 -70.9 -5.1 28.8 -7.8 2.0 175 211 A E T 4 S- 0 0 82 -6,-0.1 -1,-0.2 -5,-0.1 -2,-0.2 0.989 118.6 -90.1 -72.3 -58.0 27.3 -9.0 -1.3 176 212 A H < + 0 0 128 -4,-2.0 -3,-0.1 -3,-0.2 -2,-0.1 0.171 53.0 178.4 172.7 -31.4 30.5 -10.0 -3.1 177 213 A H - 0 0 71 -5,-0.4 2,-1.1 1,-0.2 3,-0.3 0.585 19.7-149.5 4.0 109.8 31.7 -6.9 -5.1 178 214 A H + 0 0 144 1,-0.2 -1,-0.2 2,-0.1 -6,-0.0 -0.605 68.1 91.3 -98.8 77.4 35.0 -8.0 -6.8 179 215 A H + 0 0 79 -2,-1.1 -1,-0.2 2,-0.0 -2,-0.1 0.142 31.3 128.4-152.9 23.4 36.9 -4.7 -7.0 180 216 A H 0 0 140 -3,-0.3 -2,-0.1 1,-0.1 -3,-0.0 0.807 360.0 360.0 -55.8 -25.1 39.0 -4.6 -3.8 181 217 A H 0 0 202 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.826 360.0 360.0 60.2 360.0 42.0 -3.9 -6.1 182 !* 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 0.0 183 572 B G 0 0 80 0, 0.0 4,-0.1 0, 0.0 -107,-0.0 0.000 360.0 360.0 360.0 120.7 -8.2 -17.9 1.5 184 573 B Q >> + 0 0 108 2,-0.1 3,-1.1 3,-0.1 4,-0.8 0.815 360.0 88.9 -99.1 -39.1 -4.9 -18.2 -0.4 185 574 B V T 34 S+ 0 0 9 1,-0.2 2,-1.1 2,-0.2 -92,-0.1 -0.094 83.1 38.2 -54.0 160.0 -3.8 -14.6 -0.5 186 575 B G T 3> S+ 0 0 0 1,-0.1 4,-1.0 -93,-0.1 -1,-0.2 -0.300 106.4 67.6 91.2 -53.3 -1.8 -13.3 2.5 187 576 B R H <> S+ 0 0 146 -2,-1.1 4,-0.6 -3,-1.1 -2,-0.2 0.872 112.3 32.5 -67.9 -33.2 0.1 -16.6 2.8 188 577 B Q H X S+ 0 0 43 -4,-0.8 4,-1.8 2,-0.2 5,-0.3 0.795 105.8 71.0 -91.9 -31.8 1.8 -15.8 -0.6 189 578 B L H 4 S+ 0 0 4 1,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.820 103.2 46.7 -54.9 -26.4 1.9 -12.0 -0.1 190 579 B A H X S+ 0 0 24 -4,-1.0 4,-1.0 2,-0.2 -1,-0.3 0.836 102.9 62.5 -85.2 -33.1 4.5 -12.7 2.5 191 580 B I H >X S+ 0 0 90 -4,-0.6 3,-1.2 1,-0.3 4,-0.9 0.971 101.7 50.4 -56.5 -53.3 6.6 -15.1 0.4 192 581 B I H 3X S+ 0 0 4 -4,-1.8 4,-1.6 1,-0.3 -1,-0.3 0.842 97.2 73.4 -55.2 -29.5 7.3 -12.4 -2.2 193 582 B G H 34 S+ 0 0 4 -4,-0.5 3,-0.3 -5,-0.3 -1,-0.3 0.921 92.4 53.9 -52.4 -44.5 8.4 -10.3 0.8 194 583 B D H X< S+ 0 0 139 -3,-1.2 3,-1.5 -4,-1.0 -1,-0.2 0.982 108.5 46.4 -56.0 -58.6 11.6 -12.4 1.1 195 584 B D H 3< S+ 0 0 94 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.779 127.7 32.3 -56.7 -22.3 12.7 -11.9 -2.5 196 585 B I T 3< S+ 0 0 22 -4,-1.6 2,-0.8 -3,-0.3 -1,-0.3 -0.325 81.6 138.6-130.6 53.7 11.9 -8.2 -2.0 197 586 B N < 0 0 76 -3,-1.5 -3,-0.1 1,-0.3 -95,-0.1 -0.833 360.0 360.0-102.5 105.9 12.7 -7.5 1.7 198 587 B R 0 0 160 -2,-0.8 -1,-0.3 -43,-0.1 -39,-0.2 0.948 360.0 360.0 54.9 360.0 14.5 -4.2 2.1