==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 01-NOV-00 1G5J . COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-X; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.PETROS,D.G.NETTESHEIM,Y.WANG,E.T.OLEJNICZAK,R.P.MEADOWS, . 200 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 81.0 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 . 1 0.5 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 . 10 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 57.5 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 0 0 1 0 0 1 0 1 0 1 0 0 2 0 0 2 0 1 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 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 1 A M 0 0 205 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.3 -12.7 -24.0 1.8 2 2 A S > + 0 0 46 2,-0.1 3,-2.8 1,-0.1 4,-0.2 0.902 360.0 59.5 -85.7 -48.0 -12.5 -20.5 3.2 3 3 A M G > S+ 0 0 123 1,-0.3 3,-2.7 2,-0.2 4,-0.2 0.797 87.8 79.2 -50.8 -30.4 -8.9 -19.7 2.4 4 4 A A G > + 0 0 43 1,-0.3 3,-3.3 2,-0.2 4,-0.3 0.770 69.1 84.1 -49.9 -28.3 -9.9 -20.3 -1.2 5 5 A M G X> S+ 0 0 37 -3,-2.8 3,-2.3 1,-0.3 4,-1.1 0.798 71.9 77.1 -46.5 -30.6 -11.4 -16.9 -1.2 6 6 A S H <> S+ 0 0 32 -3,-2.7 4,-4.1 1,-0.3 -1,-0.3 0.798 74.2 77.9 -50.9 -31.6 -7.8 -15.7 -2.0 7 7 A Q H <> S+ 0 0 116 -3,-3.3 4,-1.0 1,-0.3 -1,-0.3 0.843 100.2 40.8 -48.6 -35.9 -8.5 -16.8 -5.5 8 8 A S H <> S+ 0 0 26 -3,-2.3 4,-1.1 -4,-0.3 -1,-0.3 0.864 117.4 46.5 -80.7 -39.7 -10.4 -13.6 -6.0 9 9 A N H X S+ 0 0 0 -4,-1.1 4,-3.2 2,-0.2 5,-0.3 0.830 104.4 62.3 -72.9 -33.0 -8.0 -11.4 -4.0 10 10 A R H X S+ 0 0 106 -4,-4.1 4,-2.6 1,-0.2 5,-0.2 0.976 111.6 36.7 -56.6 -55.7 -4.9 -12.8 -5.8 11 11 A E H X S+ 0 0 55 -4,-1.0 4,-2.9 -5,-0.3 5,-0.3 0.786 113.7 61.8 -66.4 -25.7 -6.1 -11.6 -9.2 12 12 A L H X S+ 0 0 0 -4,-1.1 4,-3.1 -6,-0.3 5,-0.2 0.966 110.5 37.1 -61.8 -53.4 -7.4 -8.5 -7.3 13 13 A V H X S+ 0 0 0 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.868 119.8 47.8 -68.0 -38.9 -4.0 -7.6 -6.2 14 14 A V H X S+ 0 0 20 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.875 116.4 45.1 -70.3 -36.3 -2.4 -8.7 -9.4 15 15 A D H X S+ 0 0 65 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.968 114.1 46.1 -70.2 -55.3 -5.0 -6.7 -11.4 16 16 A F H X S+ 0 0 3 -4,-3.1 4,-1.4 -5,-0.3 -2,-0.2 0.929 110.9 54.7 -52.8 -49.1 -4.9 -3.6 -9.3 17 17 A L H >X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 3,-0.9 0.931 109.6 46.4 -50.2 -52.0 -1.1 -3.6 -9.4 18 18 A S H 3X S+ 0 0 23 -4,-1.7 4,-2.0 1,-0.3 -1,-0.2 0.898 103.6 62.5 -59.3 -41.9 -1.1 -3.7 -13.2 19 19 A Y H 3X S+ 0 0 48 -4,-2.6 4,-0.8 1,-0.2 -1,-0.3 0.829 105.2 49.4 -52.9 -31.9 -3.7 -1.0 -13.3 20 20 A K H XX S+ 0 0 9 -4,-1.4 4,-1.2 -3,-0.9 3,-0.8 0.920 104.2 55.2 -74.2 -46.0 -1.1 1.2 -11.6 21 21 A L H 3X>S+ 0 0 0 -4,-1.6 5,-2.8 1,-0.2 4,-0.7 0.838 98.1 67.4 -56.1 -32.7 1.7 0.3 -14.1 22 22 A S H ><5S+ 0 0 95 -4,-2.0 3,-1.1 3,-0.3 -1,-0.2 0.918 96.7 51.7 -53.7 -47.7 -0.6 1.5 -16.8 23 23 A Q H <<5S+ 0 0 118 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.900 117.5 38.5 -57.0 -42.5 -0.4 5.1 -15.5 24 24 A K H 3<5S- 0 0 117 -4,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.402 116.3-116.2 -88.6 1.5 3.4 4.8 -15.6 25 25 A G T <<5 + 0 0 66 -3,-1.1 2,-0.5 -4,-0.7 -3,-0.3 0.938 58.5 159.5 63.9 47.0 3.3 2.8 -18.8 26 26 A Y < - 0 0 53 -5,-2.8 2,-1.7 -8,-0.2 -1,-0.2 -0.890 47.5-122.3-107.4 131.0 4.9 -0.3 -17.2 27 27 A S > - 0 0 72 -2,-0.5 3,-2.2 1,-0.2 -9,-0.0 -0.513 27.7-177.0 -72.1 87.7 4.5 -3.7 -18.8 28 28 A W G >> S+ 0 0 10 -2,-1.7 4,-1.0 1,-0.3 3,-0.9 0.712 79.7 67.1 -58.1 -20.0 2.8 -5.6 -15.9 29 29 A S G 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.304 88.3 67.1 -85.1 10.8 2.9 -8.7 -18.1 30 30 A Q G <4 S+ 0 0 153 -3,-2.2 -1,-0.2 3,-0.1 -2,-0.1 0.163 103.5 41.6-113.4 15.9 6.8 -8.7 -17.9 31 31 A F T <4 S- 0 0 52 -3,-0.9 -2,-0.2 96,-0.0 -3,-0.1 0.623 131.5 -1.2-126.2 -43.7 6.9 -9.5 -14.2 32 32 A S S < S- 0 0 55 -4,-1.0 -3,-0.1 -18,-0.1 -4,-0.0 0.635 96.3 -88.2-114.5 -87.2 4.3 -12.1 -13.5 33 33 A D - 0 0 137 -5,-0.3 2,-2.0 3,-0.0 -4,-0.2 0.195 40.4-179.6 169.5 42.7 2.0 -13.4 -16.4 34 34 A V - 0 0 46 -6,-0.4 3,-0.1 1,-0.2 -5,-0.1 -0.369 8.2-179.5 -61.7 83.1 -1.0 -11.2 -16.7 35 35 A E - 0 0 172 -2,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.967 44.5 -82.0 -48.2 -74.6 -2.6 -13.1 -19.6 36 36 A E - 0 0 141 2,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 -0.973 61.5 -34.3-178.9-178.3 -5.7 -10.9 -20.1 37 37 A N S S+ 0 0 144 -2,-0.3 -1,-0.1 -3,-0.1 0, 0.0 0.091 98.6 57.3 -48.4 168.3 -9.2 -10.2 -18.9 38 38 A R - 0 0 199 1,-0.2 2,-0.3 2,-0.1 -2,-0.2 0.903 56.6-177.4 67.9 100.5 -11.4 -13.1 -17.7 39 39 A T - 0 0 42 1,-0.5 -1,-0.2 -4,-0.1 -28,-0.1 -0.736 53.4 -55.4-132.8 85.0 -9.8 -15.0 -14.9 40 40 A E + 0 0 128 -2,-0.3 -1,-0.5 1,-0.1 7,-0.1 0.381 57.2 176.0 61.4 155.3 -11.9 -18.0 -13.8 41 41 A A + 0 0 59 -3,-0.1 -1,-0.1 6,-0.1 0, 0.0 -0.366 17.9 176.5 166.0 107.3 -15.6 -17.7 -12.7 42 42 A P S S+ 0 0 130 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 0.441 87.4 27.8-101.1 -3.6 -18.0 -20.5 -11.7 43 43 A E S S- 0 0 167 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.684 122.7 -65.5-119.9 -62.7 -20.9 -18.3 -10.8 44 44 A G S S- 0 0 44 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.099 81.2 -51.5-155.7 -82.3 -20.9 -15.0 -12.7 45 45 A T S > S+ 0 0 70 -3,-0.0 4,-2.3 -7,-0.0 5,-0.3 0.046 70.4 142.2-169.3 37.5 -18.3 -12.4 -12.3 46 46 A E H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.965 78.8 46.0 -49.5 -66.9 -17.9 -11.6 -8.5 47 47 A S H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.856 110.2 58.0 -45.9 -41.5 -14.2 -11.2 -8.5 48 48 A E H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.972 110.2 39.6 -54.9 -59.7 -14.6 -9.0 -11.6 49 89 A A H X S+ 0 0 34 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.832 113.7 58.1 -59.5 -32.4 -16.9 -6.5 -9.9 50 90 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.892 104.6 50.5 -65.1 -40.6 -14.7 -6.8 -6.8 51 91 A K H X S+ 0 0 21 -4,-2.6 4,-1.8 -3,-0.3 3,-0.3 0.973 112.0 44.9 -61.5 -57.1 -11.6 -5.7 -8.7 52 92 A Q H X S+ 0 0 106 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.899 107.2 61.3 -54.4 -43.7 -13.3 -2.6 -10.2 53 93 A A H X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.3 5,-0.3 0.925 107.3 43.3 -49.2 -51.6 -14.8 -1.7 -6.9 54 94 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 -3,-0.3 -1,-0.3 0.844 110.6 57.8 -64.3 -34.0 -11.3 -1.4 -5.3 55 95 A R H X S+ 0 0 130 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.935 107.7 45.7 -62.2 -48.0 -10.2 0.5 -8.4 56 96 A E H >X S+ 0 0 49 -4,-2.7 4,-1.5 2,-0.2 3,-1.3 0.988 117.5 40.9 -58.9 -64.0 -12.8 3.2 -8.0 57 97 A A H 3X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.3 3,-0.3 0.888 111.6 58.8 -52.2 -41.7 -12.4 3.7 -4.2 58 98 A G H 3X S+ 0 0 1 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.3 0.823 102.5 53.7 -58.5 -31.0 -8.6 3.5 -4.8 59 99 A D H X + 0 0 130 -4,-2.0 3,-0.9 1,-0.1 4,-0.5 -0.631 59.6 173.1-144.9 82.4 -3.5 13.1 -1.5 66 106 A R G >4 + 0 0 139 -3,-0.3 3,-0.9 1,-0.2 -3,-0.1 0.697 70.0 86.2 -61.6 -18.3 -1.2 11.8 -4.2 67 107 A R G >4 S+ 0 0 224 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.936 86.6 50.0 -47.1 -55.4 1.6 13.2 -2.1 68 108 A A G <4 S+ 0 0 20 -3,-0.9 2,-1.0 1,-0.3 -1,-0.3 0.812 102.7 66.0 -53.8 -29.7 1.7 9.9 -0.1 69 109 A F G << S+ 0 0 16 -3,-0.9 -1,-0.3 -4,-0.5 2,-0.1 -0.335 87.2 100.4 -90.1 52.3 1.8 8.3 -3.5 70 110 A S S < S- 0 0 72 -2,-1.0 2,-0.5 -3,-0.5 47,-0.1 -0.298 86.9 -30.7-116.6-158.7 5.2 9.7 -4.4 71 111 A D + 0 0 81 1,-0.2 4,-0.2 -2,-0.1 -1,-0.1 -0.468 57.3 166.6 -64.1 111.1 8.8 8.4 -4.4 72 112 A L > + 0 0 9 -2,-0.5 4,-2.0 41,-0.2 3,-0.3 0.701 69.4 62.8 -97.8 -25.9 8.9 5.9 -1.6 73 113 A T T 4 S+ 0 0 18 1,-0.2 5,-0.4 2,-0.2 -1,-0.1 0.771 98.2 58.1 -70.5 -26.0 12.3 4.3 -2.5 74 114 A S T 4 S+ 0 0 90 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.784 109.1 45.2 -74.0 -27.9 14.0 7.6 -1.8 75 115 A Q T 4 S+ 0 0 125 -3,-0.3 104,-0.3 -4,-0.2 2,-0.2 0.946 123.4 20.3 -79.9 -53.9 12.7 7.7 1.7 76 116 A L S < S- 0 0 8 -4,-2.0 2,-0.8 102,-0.1 102,-0.1 -0.616 91.3 -91.4-112.2 173.3 13.4 4.1 2.8 77 117 A H - 0 0 139 100,-0.4 2,-0.8 -2,-0.2 9,-0.2 -0.767 39.0-173.2 -90.1 108.4 15.7 1.3 1.6 78 118 A I + 0 0 12 -2,-0.8 48,-0.1 -5,-0.4 -5,-0.0 -0.854 25.3 137.6-106.0 101.2 13.9 -0.8 -1.0 79 119 A T >> - 0 0 64 -2,-0.8 3,-2.6 46,-0.0 4,-2.0 -0.985 63.9 -79.0-142.8 151.9 16.0 -3.8 -2.0 80 120 A P T 34 S+ 0 0 74 0, 0.0 -2,-0.0 0, 0.0 46,-0.0 -0.288 121.9 14.9 -52.2 106.1 15.4 -7.6 -2.6 81 121 A G T 34 S+ 0 0 41 -2,-0.3 4,-0.2 44,-0.0 -3,-0.0 0.009 121.7 62.9 116.4 -27.6 15.3 -9.0 0.9 82 122 A T T X> S+ 0 0 57 -3,-2.6 3,-1.9 2,-0.1 4,-1.0 0.714 78.1 81.8 -98.7 -28.1 14.8 -5.8 2.8 83 123 A A H 3X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.3 5,-0.2 0.796 83.8 66.8 -47.4 -30.6 11.5 -4.8 1.4 84 124 A Y H 3> S+ 0 0 134 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.903 94.3 56.3 -58.8 -42.3 9.9 -7.2 3.9 85 125 A Q H <> S+ 0 0 73 -3,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.930 110.5 44.2 -55.0 -49.1 11.1 -4.9 6.7 86 126 A S H >X S+ 0 0 4 -4,-1.0 4,-2.6 -9,-0.2 3,-0.6 0.984 113.1 48.7 -59.7 -62.9 9.2 -2.0 5.2 87 127 A F H 3X S+ 0 0 20 -4,-2.4 4,-3.3 1,-0.3 5,-0.4 0.911 109.8 51.9 -43.3 -57.6 6.0 -3.9 4.4 88 128 A E H 3X S+ 0 0 85 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.3 0.884 116.9 42.1 -49.2 -41.9 5.8 -5.4 7.8 89 129 A Q H XX S+ 0 0 55 -4,-1.7 4,-1.7 -3,-0.6 3,-0.9 0.998 116.9 42.7 -68.5 -68.5 6.1 -1.9 9.3 90 130 A V H 3X S+ 0 0 4 -4,-2.6 4,-1.5 1,-0.3 -2,-0.2 0.896 116.6 49.9 -43.8 -51.5 3.8 0.1 6.9 91 131 A V H 3X S+ 0 0 1 -4,-3.3 4,-2.2 -5,-0.3 -1,-0.3 0.833 108.5 56.1 -59.3 -33.8 1.2 -2.7 7.1 92 132 A N H < S+ 0 0 12 -4,-2.2 3,-0.7 -3,-0.3 -2,-0.2 0.061 90.3 121.7-116.9 23.2 -4.0 -1.9 9.9 96 136 A R T 3< S+ 0 0 185 -4,-0.8 2,-0.6 1,-0.3 -3,-0.1 0.964 91.2 5.5 -47.8 -75.4 -3.0 -1.7 13.6 97 137 A D T 3 S+ 0 0 140 -4,-0.2 -1,-0.3 1,-0.1 2,-0.1 -0.670 131.5 20.3-115.6 75.9 -6.3 -0.9 15.1 98 138 A G < + 0 0 29 -3,-0.7 -1,-0.1 -2,-0.6 0, 0.0 -0.348 43.5 175.1 138.1 141.2 -8.8 -1.0 12.3 99 139 A V > + 0 0 26 -2,-0.1 4,-1.7 -3,-0.0 5,-0.3 0.456 19.6 153.8-130.8 -80.4 -9.3 -2.4 8.8 100 140 A N H > S- 0 0 51 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.368 70.5 -73.9 57.6 160.2 -12.7 -2.0 7.0 101 141 A W H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.802 130.0 67.1 -55.8 -28.9 -13.1 -1.9 3.3 102 142 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.968 102.6 39.4 -57.5 -59.6 -11.6 1.6 3.4 103 143 A R H X S+ 0 0 22 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.834 113.0 60.9 -61.3 -31.5 -8.1 0.5 4.5 104 144 A I H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.976 104.7 44.2 -59.3 -59.0 -8.4 -2.4 2.1 105 145 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 5,-0.2 0.922 116.0 48.0 -52.4 -48.6 -8.8 -0.4 -1.1 106 146 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.843 106.4 59.2 -61.9 -34.1 -6.0 2.0 -0.0 107 147 A F H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.910 104.5 49.5 -61.6 -43.8 -3.9 -1.1 0.8 108 148 A F H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.959 114.3 43.2 -60.7 -52.7 -4.1 -2.3 -2.8 109 149 A S H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.869 106.8 66.5 -60.8 -36.1 -3.2 1.1 -4.3 110 150 A F H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.3 -2,-0.2 0.961 105.8 37.6 -47.9 -66.9 -0.5 1.3 -1.6 111 151 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.782 110.6 67.7 -58.6 -26.6 1.6 -1.6 -3.0 112 152 A G H >X S+ 0 0 0 -4,-1.4 4,-1.9 -5,-0.2 3,-0.6 0.982 106.3 34.4 -57.3 -63.3 0.7 -0.4 -6.5 113 153 A A H 3X S+ 0 0 7 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.849 116.9 57.4 -61.0 -34.7 2.6 2.9 -6.4 114 154 A L H 3X S+ 0 0 7 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.826 105.6 51.8 -65.6 -31.5 5.3 1.2 -4.3 115 155 A C H XX S+ 0 0 0 -4,-2.0 4,-2.4 -3,-0.6 3,-0.5 0.977 107.6 47.8 -69.3 -57.0 5.7 -1.4 -7.0 116 156 A V H 3X S+ 0 0 2 -4,-1.9 4,-1.5 1,-0.3 -1,-0.2 0.822 110.1 57.2 -53.3 -32.1 6.2 1.0 -9.9 117 157 A E H 3X S+ 0 0 19 -4,-1.5 4,-0.6 -5,-0.2 -1,-0.3 0.913 110.4 41.5 -66.4 -44.0 8.7 2.8 -7.7 118 158 A S H X<>S+ 0 0 0 -4,-1.5 3,-2.7 -3,-0.5 5,-1.4 0.984 112.7 50.9 -67.4 -59.8 10.8 -0.3 -7.2 119 159 A V H ><5S+ 0 0 14 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.828 104.1 62.3 -46.9 -35.7 10.7 -1.6 -10.8 120 160 A D H 3<5S+ 0 0 85 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.790 100.3 53.2 -62.7 -28.3 11.8 1.9 -11.8 121 161 A K T <<5S- 0 0 103 -3,-2.7 -1,-0.3 -4,-0.6 -2,-0.2 0.014 129.1 -96.1 -96.4 27.3 15.0 1.4 -9.8 122 162 A E T < 5S+ 0 0 174 -3,-1.6 2,-0.4 1,-0.1 -3,-0.2 0.832 94.6 119.6 63.2 32.4 15.8 -1.9 -11.6 123 163 A M < + 0 0 24 -5,-1.4 -2,-0.2 -8,-0.1 3,-0.2 -0.768 15.9 145.0-132.3 87.8 14.2 -3.8 -8.8 124 164 A Q >> + 0 0 96 -2,-0.4 3,-1.9 -5,-0.2 4,-0.7 0.656 55.6 87.4 -94.6 -20.1 11.3 -5.9 -9.9 125 165 A V H 3> S+ 0 0 80 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.795 90.8 52.2 -48.9 -29.4 11.9 -8.8 -7.4 126 166 A L H 3> S+ 0 0 0 -3,-0.2 4,-2.2 3,-0.1 -1,-0.3 0.738 96.5 72.1 -79.7 -24.7 9.9 -6.7 -5.0 127 167 A V H X> S+ 0 0 0 -3,-1.9 4,-2.3 2,-0.2 3,-1.0 0.980 107.5 27.5 -53.0 -79.1 7.0 -6.4 -7.4 128 168 A S H 3X S+ 0 0 50 -4,-0.7 4,-2.4 1,-0.3 5,-0.3 0.897 119.4 59.8 -51.6 -44.7 5.5 -9.9 -7.5 129 169 A R H 3X S+ 0 0 123 -4,-0.9 4,-1.3 -5,-0.3 -1,-0.3 0.858 109.3 44.0 -52.9 -38.0 6.8 -10.4 -3.9 130 170 A I H X S+ 0 0 2 -4,-1.7 3,-2.4 -5,-0.2 4,-1.1 0.964 114.4 49.4 -74.2 -55.7 -3.2 -10.9 -1.1 136 176 A T H 3X>S+ 0 0 57 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X S+ 0 0 162 -104,-0.3 4,-1.6 -2,-0.2 5,-0.4 0.939 76.0 46.5 -77.1 -50.9 11.5 6.4 8.2 180 304 B A H >> S+ 0 0 7 3,-0.2 4,-2.4 2,-0.2 3,-1.0 0.876 104.2 49.4 -56.3-106.7 8.8 5.7 5.6 181 305 B A H 3> S+ 0 0 0 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.468 117.3 43.6 3.0 -72.8 7.0 2.3 6.4 182 306 B Q H 3> S+ 0 0 109 -4,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.966 131.4 23.3 -49.3 -68.2 6.4 3.3 10.0 183 307 B R H X S+ 0 0 109 -4,-2.1 4,-2.0 -3,-0.4 3,-0.6 0.958 100.8 51.7 -61.7 -53.1 -4.1 5.6 8.3 190 314 B R H 3X S+ 0 0 206 -4,-1.7 4,-1.7 1,-0.3 5,-0.3 0.947 107.9 50.7 -48.4 -59.1 -5.5 9.1 8.9 191 315 B M H 3X S+ 0 0 35 -4,-1.5 4,-2.4 1,-0.2 -1,-0.3 0.824 107.6 57.9 -49.7 -32.9 -6.7 9.4 5.3 192 316 B S H