==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 26-NOV-08 3FDL . COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-X; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.D.FAIRLIE,E.F.LEE,B.J.SMITH,P.E.CZABOTAR,P.M.COLMAN . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 79.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 1 0 0 1 0 0 0 1 0 0 2 1 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 -5 A G > 0 0 90 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 176.0 -19.8 -6.1 38.4 2 -4 A P H > + 0 0 123 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.821 360.0 51.8 -68.1 -28.6 -21.1 -3.2 40.3 3 -3 A L H > S+ 0 0 143 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.950 113.8 42.4 -71.2 -48.4 -18.4 -3.4 43.0 4 -2 A G H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.870 110.0 59.7 -60.7 -40.6 -15.6 -3.4 40.5 5 -1 A S H X S+ 0 0 55 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.869 101.5 52.1 -63.2 -38.3 -17.3 -0.7 38.5 6 1 A M H X S+ 0 0 104 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.921 111.0 48.9 -63.6 -38.1 -17.3 1.8 41.4 7 2 A S H X S+ 0 0 73 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.939 113.0 46.8 -62.5 -45.6 -13.6 1.2 41.8 8 3 A Q H X S+ 0 0 125 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.888 111.3 51.7 -63.7 -41.1 -13.1 1.7 38.0 9 4 A S H X S+ 0 0 57 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.883 108.5 50.8 -65.4 -40.7 -15.2 4.9 38.0 10 5 A N H X S+ 0 0 90 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.900 111.5 47.9 -58.1 -44.6 -13.2 6.3 40.9 11 6 A R H X S+ 0 0 150 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.915 111.5 50.4 -64.3 -44.1 -10.0 5.7 39.1 12 7 A E H X S+ 0 0 122 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.883 109.0 51.7 -61.8 -36.6 -11.3 7.2 35.8 13 8 A L H X S+ 0 0 118 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.940 112.0 46.7 -67.3 -43.4 -12.4 10.3 37.7 14 9 A V H X S+ 0 0 77 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.952 113.2 47.6 -62.2 -49.9 -9.0 10.7 39.2 15 10 A V H X S+ 0 0 31 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.913 112.2 50.9 -61.8 -38.8 -7.1 10.2 36.0 16 11 A D H X S+ 0 0 101 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.930 113.4 44.1 -64.4 -46.6 -9.5 12.6 34.2 17 12 A F H X S+ 0 0 120 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.947 115.7 46.1 -65.5 -45.9 -8.9 15.4 36.8 18 13 A L H X S+ 0 0 81 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.879 110.7 54.1 -64.1 -39.3 -5.2 14.9 37.1 19 14 A S H X S+ 0 0 21 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.936 110.1 47.9 -58.6 -47.4 -4.9 14.8 33.3 20 15 A Y H X S+ 0 0 107 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.955 112.4 46.8 -58.4 -51.6 -6.8 18.1 33.1 21 16 A K H X S+ 0 0 88 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.859 111.7 51.5 -62.1 -37.4 -4.6 19.9 35.8 22 17 A L H ><>S+ 0 0 60 -4,-2.5 5,-2.3 1,-0.2 3,-1.8 0.951 108.0 52.9 -62.0 -45.0 -1.4 18.6 34.2 23 18 A S H ><5S+ 0 0 26 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.807 98.9 63.1 -62.9 -33.3 -2.5 20.0 30.8 24 19 A Q H 3<5S+ 0 0 91 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.691 106.5 45.9 -65.6 -19.1 -3.2 23.4 32.3 25 20 A K T <<5S- 0 0 158 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.136 125.3 -99.2-108.3 15.1 0.5 23.7 33.1 26 21 A G T < 5S+ 0 0 74 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.564 91.2 112.6 78.3 8.7 1.7 22.4 29.7 27 22 A Y < - 0 0 157 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.499 52.8-143.9-101.6 176.3 2.3 18.9 31.0 28 23 A S - 0 0 63 -2,-0.2 3,-0.1 1,-0.1 -9,-0.1 -0.999 20.4-143.4-146.6 150.6 0.5 15.6 30.2 29 24 A W S S- 0 0 108 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.828 87.4 -23.3 -69.5 -37.8 -0.7 12.4 31.9 30 25 A S S > S- 0 0 45 1,-0.1 4,-2.0 -11,-0.1 -1,-0.2 -0.956 70.9 -90.0-167.7 168.8 0.1 10.3 28.8 31 26 A Q H > S+ 0 0 135 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.942 126.5 49.1 -61.4 -47.6 0.5 10.5 25.1 32 83 A M H > S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 109.2 53.9 -59.4 -40.5 -3.2 9.9 24.4 33 84 A A H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 107.9 49.8 -59.8 -39.5 -4.0 12.6 27.0 34 85 A A H X S+ 0 0 27 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.887 111.0 49.4 -66.4 -40.6 -1.9 15.1 25.1 35 86 A V H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 108.2 54.4 -63.1 -47.7 -3.6 14.2 21.8 36 87 A K H X S+ 0 0 130 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.940 114.3 39.2 -58.0 -46.0 -7.1 14.6 23.3 37 88 A Q H X S+ 0 0 41 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.820 109.5 57.2 -89.8 -11.6 -6.4 18.0 24.5 38 89 A A H X S+ 0 0 18 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.879 112.0 47.7 -63.3 -40.3 -4.4 19.2 21.5 39 90 A L H X S+ 0 0 28 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.949 110.9 48.6 -67.0 -46.6 -7.6 18.2 19.6 40 91 A R H X S+ 0 0 168 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.932 115.7 45.1 -53.7 -50.5 -10.0 20.0 22.1 41 92 A E H X S+ 0 0 101 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.919 112.4 50.0 -61.1 -48.1 -7.8 23.1 21.9 42 93 A A H X S+ 0 0 12 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.933 111.7 49.5 -58.0 -47.5 -7.4 23.0 18.1 43 94 A G H X S+ 0 0 9 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.931 111.4 48.7 -58.6 -44.9 -11.2 22.6 17.7 44 95 A D H X S+ 0 0 106 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.913 113.4 47.1 -57.5 -44.4 -11.9 25.5 20.1 45 96 A E H X S+ 0 0 80 -4,-2.6 4,-3.2 2,-0.2 5,-0.4 0.932 112.0 49.6 -67.9 -42.1 -9.4 27.7 18.2 46 97 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.940 114.1 45.6 -57.4 -51.2 -10.8 26.7 14.8 47 98 A E H < S+ 0 0 66 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.769 116.8 47.2 -65.3 -28.5 -14.4 27.5 16.1 48 99 A L H >< S+ 0 0 111 -4,-1.9 3,-1.2 -5,-0.2 4,-0.2 0.941 115.2 40.5 -79.2 -51.1 -13.1 30.8 17.6 49 100 A R H 3< S+ 0 0 162 -4,-3.2 3,-0.3 1,-0.3 -2,-0.2 0.932 128.2 34.9 -64.1 -41.9 -11.1 32.2 14.7 50 101 A Y T 3X S+ 0 0 23 -4,-2.3 4,-3.5 -5,-0.4 5,-0.4 -0.049 78.1 130.1-103.7 32.6 -13.8 31.1 12.2 51 102 A R H <> S+ 0 0 164 -3,-1.2 4,-2.9 1,-0.2 5,-0.4 0.917 72.8 49.8 -53.3 -45.7 -16.8 31.7 14.4 52 103 A R H > S+ 0 0 190 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.961 118.8 36.1 -60.2 -53.0 -18.6 33.7 11.7 53 104 A A H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.852 120.5 47.9 -69.2 -35.8 -18.1 31.1 8.9 54 105 A F H X S+ 0 0 18 -4,-3.5 4,-2.3 2,-0.2 5,-0.2 0.931 112.1 48.2 -75.6 -45.5 -18.5 28.0 11.3 55 106 A S H X S+ 0 0 69 -4,-2.9 4,-2.2 -5,-0.4 -2,-0.2 0.937 112.6 51.7 -51.4 -51.1 -21.6 29.4 13.0 56 107 A D H X S+ 0 0 67 -4,-2.1 4,-0.7 -5,-0.4 -2,-0.2 0.930 111.7 43.9 -56.4 -50.3 -23.1 30.1 9.5 57 108 A L H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.873 113.6 49.7 -68.2 -36.0 -22.5 26.6 8.1 58 109 A T H >< S+ 0 0 28 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.842 103.4 61.8 -71.2 -29.5 -23.7 24.8 11.1 59 110 A S H 3< S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.757 97.8 58.9 -65.5 -22.2 -26.8 27.0 11.1 60 111 A Q T << S+ 0 0 47 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.500 77.7 122.6 -85.8 -6.2 -27.7 25.5 7.6 61 112 A L < - 0 0 13 -3,-1.4 2,-0.5 -4,-0.2 -3,-0.0 -0.335 42.2-167.4 -63.6 129.2 -27.8 21.9 8.9 62 113 A H - 0 0 114 5,-0.1 2,-0.4 2,-0.0 9,-0.1 -0.923 15.3-177.9-117.6 104.6 -31.1 20.1 8.3 63 114 A I + 0 0 16 -2,-0.5 3,-0.1 39,-0.1 -2,-0.0 -0.875 18.1 159.6-109.7 129.1 -31.2 16.9 10.3 64 115 A T >> - 0 0 51 -2,-0.4 4,-1.3 1,-0.1 3,-0.9 -0.948 48.2-114.8-128.5 161.2 -33.7 14.2 10.6 65 116 A P T 34 S+ 0 0 64 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.898 115.6 51.7 -61.6 -36.7 -32.9 10.7 11.9 66 117 A G T 34 S+ 0 0 59 1,-0.2 4,-0.2 2,-0.1 -3,-0.0 0.675 120.2 33.1 -77.5 -13.8 -33.7 9.1 8.5 67 118 A T T <> S+ 0 0 49 -3,-0.9 4,-2.3 2,-0.1 -1,-0.2 0.437 91.5 95.2-115.8 -1.2 -31.4 11.5 6.6 68 119 A A H X S+ 0 0 5 -4,-1.3 4,-2.8 -3,-0.3 5,-0.2 0.865 85.7 46.9 -61.7 -45.7 -28.6 12.1 9.2 69 120 A Y H > S+ 0 0 102 -4,-0.5 4,-3.2 2,-0.2 5,-0.2 0.945 111.4 51.8 -65.6 -44.8 -26.2 9.4 8.0 70 121 A Q H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 113.4 46.3 -54.3 -43.9 -26.6 10.6 4.3 71 122 A S H X S+ 0 0 13 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.939 112.3 47.9 -65.1 -50.2 -25.8 14.1 5.5 72 123 A F H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.954 115.3 46.9 -54.9 -52.2 -22.9 13.2 7.6 73 124 A E H X S+ 0 0 76 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.894 111.4 48.1 -61.2 -45.0 -21.4 11.1 4.8 74 125 A Q H X S+ 0 0 91 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.937 114.2 47.9 -64.1 -45.8 -21.9 13.6 2.0 75 126 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 3,-0.3 0.964 115.6 41.8 -61.4 -52.4 -20.3 16.4 4.0 76 127 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.914 113.7 52.2 -63.8 -39.7 -17.2 14.4 5.2 77 128 A N H < S+ 0 0 57 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.828 113.1 45.5 -66.8 -27.4 -16.6 12.8 1.8 78 129 A E H >< S+ 0 0 18 -4,-1.7 3,-1.2 -3,-0.3 4,-0.4 0.887 108.3 56.9 -75.9 -45.6 -16.7 16.3 0.2 79 130 A L H 3< S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.888 118.3 33.2 -49.0 -44.8 -14.5 17.7 2.9 80 131 A F T >< S+ 0 0 20 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.302 85.4 113.2 -98.0 11.6 -11.8 15.1 2.0 81 132 A R T < S+ 0 0 165 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.869 87.1 32.4 -53.4 -43.5 -12.6 14.9 -1.8 82 133 A D T 3 S- 0 0 100 -4,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.110 129.7 -68.4-109.1 26.2 -9.2 16.4 -2.8 83 134 A G < - 0 0 31 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 -0.633 52.7 -76.0 124.9-176.6 -7.1 15.0 0.0 84 135 A V + 0 0 31 -2,-0.2 2,-0.3 -3,-0.1 -4,-0.1 -0.901 36.6 164.0-122.0 147.9 -6.5 15.2 3.7 85 136 A N > - 0 0 24 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.958 49.6-103.3-154.3 169.2 -4.7 17.6 6.0 86 137 A W H > S+ 0 0 18 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.879 120.2 53.2 -65.3 -36.7 -4.6 18.3 9.7 87 138 A G H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 108.9 49.8 -62.6 -42.7 -6.8 21.4 9.3 88 139 A R H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 108.6 53.6 -62.5 -38.7 -9.5 19.3 7.5 89 140 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.933 109.1 47.4 -61.9 -43.2 -9.2 16.7 10.3 90 141 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.947 111.0 52.4 -59.9 -42.8 -9.9 19.4 12.9 91 142 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.881 107.0 54.2 -60.6 -39.2 -12.8 20.6 10.7 92 143 A F H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.932 110.8 43.9 -60.3 -50.7 -14.1 17.0 10.7 93 144 A F H X S+ 0 0 54 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.943 114.2 50.0 -59.5 -49.8 -14.2 16.8 14.5 94 145 A S H X S+ 0 0 5 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.916 111.0 50.1 -54.8 -43.1 -15.7 20.2 14.8 95 146 A F H X S+ 0 0 1 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.933 110.3 49.5 -62.6 -46.7 -18.4 19.3 12.3 96 147 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.908 111.6 48.7 -58.4 -44.5 -19.2 16.0 14.1 97 148 A G H X S+ 0 0 38 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.909 111.8 49.5 -64.5 -39.5 -19.5 17.9 17.5 98 149 A A H X S+ 0 0 16 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.897 108.5 53.2 -63.1 -39.2 -21.8 20.5 15.8 99 150 A L H X S+ 0 0 6 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.906 110.5 47.9 -61.8 -42.2 -23.9 17.6 14.4 100 151 A C H X S+ 0 0 27 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.919 111.5 48.6 -64.2 -47.8 -24.3 16.2 17.9 101 152 A V H X S+ 0 0 88 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.926 112.0 49.8 -58.8 -46.6 -25.2 19.6 19.4 102 153 A E H X S+ 0 0 38 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.910 109.5 52.6 -58.3 -42.5 -27.8 20.1 16.7 103 154 A S H <>S+ 0 0 0 -4,-2.1 5,-3.5 2,-0.2 -2,-0.2 0.944 112.2 43.0 -63.0 -46.6 -29.2 16.7 17.3 104 155 A V H ><5S+ 0 0 72 -4,-2.6 3,-2.4 1,-0.2 5,-0.2 0.952 110.7 56.1 -64.7 -48.5 -29.7 17.2 21.0 105 156 A D H 3<5S+ 0 0 102 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.876 110.9 46.1 -43.5 -45.2 -31.1 20.8 20.4 106 157 A K T 3<5S- 0 0 112 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.154 121.0-106.5 -91.6 17.0 -33.7 19.2 18.1 107 158 A E T < 5S+ 0 0 167 -3,-2.4 -3,-0.2 1,-0.1 3,-0.2 0.800 87.3 121.6 62.9 31.0 -34.6 16.4 20.6 108 159 A M > < + 0 0 23 -5,-3.5 3,-2.5 -6,-0.2 4,-0.3 -0.322 19.5 145.8-114.3 47.6 -32.8 13.8 18.4 109 160 A Q T >> + 0 0 108 1,-0.3 3,-1.8 -5,-0.2 4,-0.5 0.749 59.8 76.3 -57.5 -26.3 -30.4 12.7 21.2 110 161 A V H 3> S+ 0 0 74 1,-0.3 4,-0.7 -3,-0.2 -1,-0.3 0.770 86.6 61.6 -54.8 -27.2 -30.6 9.2 19.7 111 162 A L H <> S+ 0 0 0 -3,-2.5 4,-2.9 1,-0.2 -1,-0.3 0.695 83.4 79.5 -76.8 -17.1 -28.3 10.3 16.9 112 163 A V H <> S+ 0 0 53 -3,-1.8 4,-2.3 -4,-0.3 -1,-0.2 0.937 96.2 42.2 -59.4 -49.7 -25.4 11.2 19.2 113 164 A S H X S+ 0 0 89 -4,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.836 114.6 53.4 -65.2 -31.6 -24.2 7.6 19.7 114 165 A R H X S+ 0 0 107 -4,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.930 107.8 49.1 -67.2 -47.5 -24.7 7.0 15.9 115 166 A I H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.928 108.7 54.2 -58.9 -44.3 -22.6 10.0 14.9 116 167 A A H X S+ 0 0 55 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.935 110.5 46.3 -57.9 -43.6 -19.8 8.8 17.3 117 168 A A H X S+ 0 0 51 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.930 111.1 51.5 -63.4 -45.0 -19.8 5.4 15.6 118 169 A W H X S+ 0 0 54 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.904 112.9 46.6 -60.3 -37.7 -19.8 7.0 12.1 119 170 A M H X S+ 0 0 25 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.880 110.6 50.4 -71.0 -41.1 -16.8 9.2 13.0 120 171 A A H X S+ 0 0 50 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.927 113.0 47.1 -65.4 -45.7 -14.8 6.3 14.6 121 172 A T H X S+ 0 0 74 -4,-2.6 4,-2.8 2,-0.2 5,-0.4 0.893 110.1 53.7 -58.5 -41.9 -15.3 4.2 11.5 122 173 A Y H X>S+ 0 0 13 -4,-1.7 4,-2.5 -5,-0.3 5,-1.7 0.939 109.4 47.8 -63.0 -44.3 -14.3 7.1 9.3 123 174 A L H <>S+ 0 0 31 -4,-2.6 5,-2.1 3,-0.2 4,-0.4 0.961 115.1 46.3 -57.3 -52.4 -11.1 7.6 11.3 124 175 A N H <5S+ 0 0 110 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.895 126.8 24.4 -53.9 -46.8 -10.3 3.8 11.0 125 176 A D H <5S+ 0 0 122 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.664 132.6 26.3-107.0 -21.0 -11.1 3.3 7.3 126 177 A H T <5S+ 0 0 92 -4,-2.5 4,-0.3 -5,-0.4 -3,-0.2 0.795 127.6 27.5-107.4 -43.1 -10.7 6.7 5.6 127 178 A L T > S+ 0 0 73 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.929 113.2 43.7 -57.9 -45.4 -3.5 5.7 6.4 130 181 A W H > S+ 0 0 51 -4,-0.3 4,-1.4 -3,-0.2 -2,-0.2 0.899 113.7 50.8 -64.3 -42.1 -2.9 9.4 5.9 131 182 A I H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 3,-0.5 0.944 111.8 47.3 -63.4 -43.8 -2.5 10.0 9.6 132 183 A Q H ><5S+ 0 0 116 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.917 111.8 50.6 -66.8 -37.4 0.0 7.2 9.8 133 184 A E H 3<5S+ 0 0 157 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.715 108.4 54.9 -67.7 -21.9 1.9 8.5 6.7 134 185 A N T 3<5S- 0 0 62 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.027 130.9 -84.0-108.0 28.0 2.0 12.0 8.3 135 186 A G T <>5 - 0 0 43 -3,-1.1 4,-1.0 4,-0.1 -3,-0.2 0.649 65.8-102.0 86.8 15.0 3.7 11.0 11.6 136 187 A G H >>< - 0 0 9 -5,-2.7 3,-1.2 -6,-0.2 4,-1.1 0.134 60.0 -49.9 63.7 179.5 0.6 10.0 13.6 137 188 A W H 3> S+ 0 0 46 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.822 131.5 67.6 -61.4 -29.8 -1.3 12.0 16.2 138 189 A D H 3> S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.888 99.5 52.5 -57.8 -32.3 2.0 12.8 18.1 139 190 A T H > - 0 0 56 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.290 28.4-100.7 -74.1 164.2 -27.4 22.6 0.5 148 87 B E H 3> S+ 0 0 53 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.795 121.6 62.6 -52.0 -33.7 -24.9 20.1 2.1 149 88 B I H 3> S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.924 105.9 45.3 -60.9 -41.6 -22.5 20.8 -0.8 150 89 B W H <> S+ 0 0 74 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.926 112.0 51.5 -66.3 -46.8 -22.2 24.5 0.3 151 90 B I H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.951 113.0 45.7 -54.0 -50.6 -21.9 23.5 4.0 152 91 B A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.892 111.9 49.7 -64.6 -41.5 -19.0 21.1 3.1 153 92 B Q H X S+ 0 0 87 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.874 113.3 47.8 -63.4 -38.2 -17.2 23.6 0.8 154 93 B E H X S+ 0 0 37 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.935 112.7 48.2 -68.7 -43.8 -17.4 26.2 3.5 155 94 B L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.934 114.1 45.9 -59.4 -47.6 -16.1 23.8 6.2 156 95 B R H X S+ 0 0 36 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.886 109.3 57.8 -62.3 -41.7 -13.2 22.6 3.9 157 96 B R H X S+ 0 0 86 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.958 112.9 36.8 -55.7 -52.8 -12.4 26.3 3.0 158 97 B I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.879 113.2 57.7 -74.0 -33.2 -11.9 27.3 6.6 159 98 B G H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.909 109.2 48.1 -57.2 -39.9 -10.2 23.9 7.5 160 99 B D H X S+ 0 0 49 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.874 110.0 49.7 -67.4 -41.2 -7.7 24.7 4.8 161 100 B E H X S+ 0 0 74 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.922 112.7 48.2 -62.3 -40.4 -7.1 28.3 6.0 162 101 B F H X S+ 0 0 14 -4,-2.7 4,-1.4 1,-0.2 3,-0.2 0.943 113.5 48.0 -68.2 -45.7 -6.5 26.9 9.5 163 102 B N H X S+ 0 0 29 -4,-2.6 4,-3.2 -5,-0.2 -1,-0.2 0.895 107.6 54.3 -57.5 -46.5 -4.2 24.2 8.1 164 103 B A H < S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.837 104.9 55.5 -64.0 -33.6 -2.2 26.7 6.0 165 104 B Y H < S+ 0 0 179 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.926 122.0 25.4 -62.4 -45.8 -1.5 28.8 9.1 166 105 B Y H < S+ 0 0 96 -4,-1.4 2,-0.4 -3,-0.1 -2,-0.2 0.712 113.3 62.8 -93.9 -26.6 0.0 25.9 11.1 167 106 B A S < S- 0 0 20 -4,-3.2 2,-0.2 -5,-0.2 -1,-0.1 -0.905 72.6-125.7-118.2 136.4 1.4 23.4 8.6 168 107 B R 0 0 246 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.0 -0.532 360.0 360.0 -72.5 135.8 4.1 23.7 5.9 169 108 B R 0 0 287 -2,-0.2 -1,-0.1 -5,-0.1 -5,-0.0 0.887 360.0 360.0 -64.3 360.0 3.0 22.8 2.4