==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 26-SEP-03 1R2E . COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-X; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.W.O'NEILL,M.K.MANION,C.D.GIEDT,K.M.KIM,K.Y.ZHANG, . 143 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 76.9 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.5 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 1 1 0 0 0 0 0 0 1 1 0 1 1 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 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 2 A S > 0 0 100 0, 0.0 4,-0.6 0, 0.0 122,-0.1 0.000 360.0 360.0 360.0 -46.6 35.4 -0.6 74.8 2 3 A Q H > + 0 0 161 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.842 360.0 44.3 -87.7 -42.4 37.4 0.4 71.7 3 4 A S H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.951 114.7 49.8 -64.5 -50.7 35.6 -2.1 69.5 4 5 A N H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.830 107.1 55.0 -57.7 -35.7 32.3 -1.2 71.0 5 6 A R H X S+ 0 0 112 -4,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.925 110.9 45.3 -63.5 -44.4 33.0 2.5 70.4 6 7 A E H X S+ 0 0 80 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.865 112.2 51.9 -66.0 -39.4 33.5 1.7 66.8 7 8 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.925 110.7 47.3 -64.2 -47.4 30.4 -0.5 66.6 8 9 A V H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.944 112.8 48.9 -59.6 -50.3 28.3 2.3 68.1 9 10 A V H X S+ 0 0 46 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.913 111.2 50.3 -58.9 -43.0 29.6 4.9 65.8 10 11 A D H X S+ 0 0 27 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.926 112.3 45.6 -63.0 -45.6 29.1 2.7 62.8 11 12 A F H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.926 115.8 46.1 -64.9 -44.8 25.5 1.9 63.6 12 13 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.918 113.8 48.9 -64.1 -40.6 24.6 5.5 64.4 13 14 A S H X S+ 0 0 22 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.898 111.0 51.4 -63.5 -41.3 26.4 6.7 61.2 14 15 A Y H X S+ 0 0 43 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.960 111.1 46.8 -58.2 -54.5 24.5 4.1 59.2 15 16 A K H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 6,-0.2 0.880 113.3 48.3 -57.7 -43.7 21.1 5.2 60.6 16 17 A L H <>S+ 0 0 2 -4,-2.4 5,-3.1 2,-0.2 -1,-0.2 0.925 114.1 46.1 -65.1 -44.5 21.9 8.9 60.1 17 18 A S H ><5S+ 0 0 64 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.968 111.1 52.6 -60.2 -53.6 23.0 8.3 56.5 18 19 A Q H 3<5S+ 0 0 88 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.820 110.5 48.0 -50.3 -38.9 20.1 6.1 55.7 19 20 A K T 3<5S- 0 0 100 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.299 124.1 -97.6 -92.0 9.1 17.6 8.7 56.9 20 21 A G T < 5S+ 0 0 71 -3,-2.1 -3,-0.2 1,-0.3 2,-0.2 0.567 83.1 122.5 90.4 9.6 19.1 11.6 55.0 21 22 A Y < - 0 0 62 -5,-3.1 -1,-0.3 -6,-0.2 2,-0.2 -0.555 63.2-100.4-103.2 168.8 21.2 13.1 57.8 22 23 A S - 0 0 63 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.533 16.3-167.0 -84.2 150.8 24.9 13.9 58.2 23 24 A W > + 0 0 135 -2,-0.2 3,-1.0 1,-0.1 -1,-0.1 0.112 61.5 108.3-119.5 14.0 27.3 11.6 60.1 24 25 A S T 3 + 0 0 84 1,-0.3 -1,-0.1 -11,-0.1 -11,-0.0 0.734 55.2 79.5 -64.9 -27.8 30.0 14.3 60.2 25 26 A Q T 3 0 0 88 -3,-0.1 -1,-0.3 83,-0.0 87,-0.2 0.407 360.0 360.0 -64.7 5.7 29.6 15.1 63.9 26 27 A F < 0 0 81 -3,-1.0 -3,-0.1 85,-0.1 86,-0.0 -0.812 360.0 360.0-100.4 360.0 31.7 11.9 64.5 27 ! 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 28 80 A V 0 0 79 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.7 37.0 -5.0 60.1 29 81 A I >> - 0 0 128 3,-0.1 4,-1.0 1,-0.1 3,-0.9 0.602 360.0 -33.2 -78.2-126.2 37.7 -8.5 61.5 30 82 A P H 3> S+ 0 0 71 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.803 140.2 81.5 -65.8 -10.7 34.6 -10.2 62.5 31 83 A M H 3> S+ 0 0 22 1,-0.3 4,-3.4 2,-0.3 5,-0.2 0.900 85.2 50.6 -49.0 -50.8 34.0 -6.6 63.3 32 84 A A H <> S+ 0 0 51 -3,-0.9 4,-2.1 1,-0.2 -1,-0.3 0.903 114.0 46.3 -57.4 -39.4 33.1 -5.9 59.7 33 85 A A H X S+ 0 0 43 -4,-1.0 4,-2.3 2,-0.2 -2,-0.3 0.864 112.0 50.3 -70.7 -36.8 30.7 -8.9 60.0 34 86 A V H X S+ 0 0 7 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.946 110.4 50.6 -65.1 -48.3 29.4 -7.6 63.4 35 87 A K H X S+ 0 0 42 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.930 113.2 43.6 -55.3 -52.0 28.7 -4.2 61.9 36 88 A Q H X S+ 0 0 88 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.922 113.5 51.4 -62.6 -44.1 26.8 -5.5 58.9 37 89 A A H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.928 112.1 48.1 -58.3 -43.9 24.8 -7.9 61.1 38 90 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.881 108.9 52.5 -65.3 -39.5 23.9 -5.1 63.4 39 91 A R H X S+ 0 0 71 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.944 113.9 44.2 -60.2 -46.7 22.9 -2.8 60.5 40 92 A L H X S+ 0 0 73 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.914 111.8 52.4 -63.4 -45.5 20.6 -5.5 59.2 41 93 A A H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.934 110.0 49.6 -57.0 -47.5 19.2 -6.3 62.7 42 94 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.891 109.8 49.4 -60.7 -43.0 18.4 -2.7 63.2 43 95 A D H X S+ 0 0 43 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.935 111.8 48.6 -62.8 -46.2 16.6 -2.3 59.9 44 96 A E H X S+ 0 0 122 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.916 112.5 50.7 -59.6 -42.2 14.5 -5.5 60.6 45 97 A F H X S+ 0 0 33 -4,-2.5 4,-2.9 1,-0.2 3,-0.3 0.948 110.6 45.3 -60.8 -53.7 13.7 -4.1 64.1 46 98 A E H < S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.692 108.5 61.5 -65.3 -17.6 12.5 -0.7 63.0 47 99 A L H < S+ 0 0 135 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.925 112.7 33.7 -73.6 -46.3 10.6 -2.4 60.3 48 100 A R H < S+ 0 0 196 -4,-1.8 2,-0.6 -3,-0.3 -2,-0.2 0.834 127.0 42.0 -78.3 -34.6 8.4 -4.4 62.8 49 101 A Y < + 0 0 125 -4,-2.9 -1,-0.2 -5,-0.2 3,-0.2 -0.948 58.0 161.7-118.1 113.1 8.4 -1.5 65.4 50 102 A R + 0 0 221 -2,-0.6 -1,-0.1 -3,-0.1 -4,-0.1 0.348 49.0 100.2-110.9 5.5 7.9 2.0 64.0 51 103 A R S > S- 0 0 87 1,-0.1 3,-0.7 2,-0.0 -1,-0.1 0.718 76.6-145.3 -63.7 -18.3 6.9 3.8 67.2 52 104 A A T 3 - 0 0 53 1,-0.2 5,-0.1 -3,-0.2 -1,-0.1 0.720 53.5 -70.3 60.5 26.9 10.5 5.0 67.4 53 105 A F T 3> S+ 0 0 9 3,-0.1 4,-2.6 4,-0.1 5,-0.3 0.905 74.3 170.3 59.5 45.1 10.7 5.0 71.2 54 106 A S H <> S+ 0 0 78 -3,-0.7 4,-2.2 1,-0.2 5,-0.2 0.928 73.4 38.9 -51.5 -57.2 8.3 7.9 71.6 55 107 A D H > S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.892 114.5 53.9 -66.2 -40.0 7.8 7.7 75.3 56 108 A L H > S+ 0 0 12 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.924 113.1 42.1 -61.5 -44.8 11.4 6.8 76.1 57 109 A T H X S+ 0 0 10 -4,-2.6 4,-3.8 2,-0.2 3,-0.4 0.910 117.4 46.6 -69.3 -40.6 12.8 9.8 74.3 58 110 A S H < S+ 0 0 77 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.866 109.1 55.7 -68.0 -34.4 10.2 12.1 75.6 59 111 A Q H < S+ 0 0 87 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.752 118.9 34.8 -66.8 -23.2 10.8 10.6 79.1 60 112 A L H < S- 0 0 6 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.794 81.9-171.5 -99.1 -35.7 14.4 11.6 78.5 61 113 A H < - 0 0 125 -4,-3.8 2,-0.3 1,-0.1 -3,-0.1 0.914 26.0-139.3 34.9 81.0 14.0 14.9 76.5 62 114 A I + 0 0 0 -5,-0.3 -1,-0.1 2,-0.1 48,-0.1 -0.495 33.9 161.0 -77.0 132.1 17.7 15.3 75.7 63 115 A T > - 0 0 59 -2,-0.3 3,-2.3 47,-0.0 39,-0.0 -0.867 58.2 -91.0-136.5 167.6 19.4 18.7 75.8 64 116 A P T 3 S+ 0 0 69 0, 0.0 -2,-0.1 0, 0.0 43,-0.0 0.639 126.7 56.6 -58.7 -11.3 23.1 19.6 76.0 65 117 A G T 3 S+ 0 0 69 2,-0.1 2,-0.1 0, 0.0 -3,-0.0 0.527 77.6 117.2 -97.8 -6.9 22.7 19.6 79.8 66 118 A T < - 0 0 18 -3,-2.3 2,-0.2 1,-0.1 -4,-0.1 -0.372 56.8-142.0 -62.9 136.3 21.4 16.0 80.0 67 119 A A >> - 0 0 41 1,-0.1 4,-1.5 -2,-0.1 3,-1.0 -0.652 20.5-111.3-100.3 159.3 23.8 13.8 82.0 68 120 A Y H 3> S+ 0 0 35 1,-0.3 4,-3.6 -2,-0.2 5,-0.2 0.889 113.7 63.0 -52.4 -46.1 24.7 10.1 81.4 69 121 A Q H 3> S+ 0 0 113 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.821 102.9 49.7 -50.9 -36.9 22.8 9.0 84.5 70 122 A S H <> S+ 0 0 59 -3,-1.0 4,-2.0 2,-0.2 -1,-0.3 0.917 112.7 46.6 -69.9 -43.8 19.5 10.2 83.0 71 123 A F H X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.2 5,-0.3 0.976 113.2 50.0 -59.3 -54.2 20.3 8.4 79.7 72 124 A E H X S+ 0 0 38 -4,-3.6 4,-2.2 1,-0.2 -2,-0.2 0.882 109.2 51.2 -51.7 -45.6 21.3 5.2 81.7 73 125 A Q H < S+ 0 0 111 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.884 113.2 44.8 -62.4 -41.1 18.0 5.3 83.8 74 126 A V H >< S+ 0 0 8 -4,-2.0 3,-1.5 -3,-0.2 4,-0.4 0.943 112.6 50.1 -68.7 -47.6 15.9 5.6 80.7 75 127 A V H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.3 4,-0.5 0.851 97.8 69.1 -59.4 -35.5 17.8 2.9 78.8 76 128 A N G >< S+ 0 0 54 -4,-2.2 3,-1.5 1,-0.3 -1,-0.3 0.777 84.7 72.6 -53.4 -28.0 17.4 0.6 81.8 77 129 A E G X S+ 0 0 94 -3,-1.5 3,-1.1 -4,-0.5 -1,-0.3 0.831 90.4 57.0 -57.2 -34.1 13.7 0.5 80.9 78 130 A L G < S+ 0 0 25 -3,-2.1 -1,-0.3 -4,-0.4 3,-0.2 0.697 110.8 44.9 -70.6 -18.9 14.6 -1.7 77.9 79 131 A F G X + 0 0 22 -3,-1.5 3,-2.1 -4,-0.5 -1,-0.2 -0.003 67.7 121.8-117.2 29.8 16.2 -4.2 80.2 80 132 A R T < S+ 0 0 185 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.791 88.5 39.7 -62.2 -27.4 13.7 -4.5 83.1 81 133 A D T 3 S- 0 0 111 1,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.059 127.2-100.3-106.7 22.2 13.5 -8.2 82.3 82 134 A G < - 0 0 31 -3,-2.1 -1,-0.4 5,-0.0 2,-0.2 -0.226 53.9 -43.6 89.4 178.5 17.2 -8.5 81.7 83 135 A V + 0 0 27 42,-0.1 2,-0.3 -3,-0.1 -4,-0.1 -0.571 52.4 155.5 -90.0 146.3 19.3 -8.6 78.5 84 136 A N > - 0 0 56 -2,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.926 54.5 -96.7-155.5 165.5 18.7 -10.6 75.3 85 137 A W H > S+ 0 0 28 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.872 121.4 51.8 -55.6 -44.4 19.8 -10.0 71.7 86 138 A G H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.853 109.6 50.4 -63.4 -34.1 16.6 -8.3 70.6 87 139 A R H > S+ 0 0 70 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.842 108.0 52.5 -72.8 -33.5 16.8 -5.9 73.5 88 140 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.930 109.5 49.8 -65.8 -44.1 20.4 -5.1 72.6 89 141 A V H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.912 109.7 51.2 -60.5 -41.1 19.2 -4.4 69.0 90 142 A A H X S+ 0 0 8 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.890 105.4 57.3 -62.2 -38.8 16.5 -2.1 70.5 91 143 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.934 109.9 43.1 -56.9 -48.2 19.2 -0.3 72.5 92 144 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.927 114.0 50.3 -65.5 -44.5 21.1 0.5 69.3 93 145 A S H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.872 109.5 52.7 -60.7 -38.4 17.9 1.5 67.5 94 146 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.925 107.8 49.7 -63.6 -46.0 17.0 3.7 70.4 95 147 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.902 110.1 52.7 -59.8 -39.1 20.4 5.5 70.3 96 148 A G H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.916 108.2 49.4 -61.4 -43.6 19.8 6.0 66.6 97 149 A A H X S+ 0 0 21 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.896 109.3 52.9 -63.1 -40.8 16.4 7.6 67.3 98 150 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.875 108.9 49.3 -62.0 -39.7 17.9 9.9 69.9 99 151 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.921 111.4 48.7 -66.6 -43.5 20.5 11.1 67.4 100 152 A V H X S+ 0 0 20 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.955 112.6 48.5 -60.3 -48.7 17.9 11.7 64.7 101 153 A E H X S+ 0 0 49 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.902 109.6 52.5 -57.5 -44.0 15.8 13.6 67.2 102 154 A S H <>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 -1,-0.2 0.891 111.1 46.7 -60.0 -41.7 18.9 15.6 68.3 103 155 A V H ><5S+ 0 0 26 -4,-2.3 3,-2.0 1,-0.2 5,-0.3 0.919 108.5 55.2 -67.1 -42.3 19.6 16.6 64.7 104 156 A D H 3<5S+ 0 0 100 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.755 109.1 49.0 -61.8 -23.9 15.9 17.5 64.2 105 157 A K T 3<5S- 0 0 78 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.209 119.6-109.9 -99.6 13.1 16.2 19.9 67.1 106 158 A E T < 5S+ 0 0 142 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.914 87.0 120.4 58.2 44.6 19.4 21.5 65.9 107 159 A M > < + 0 0 44 -5,-3.0 3,-2.6 -8,-0.1 4,-0.3 -0.301 19.0 147.1-129.0 43.8 21.4 19.8 68.6 108 160 A Q T > + 0 0 53 1,-0.3 3,-1.2 -5,-0.3 4,-0.4 0.691 60.8 77.5 -55.3 -17.6 23.7 17.9 66.3 109 161 A V T 3> S+ 0 0 81 1,-0.2 4,-0.5 -7,-0.2 -1,-0.3 0.702 84.7 62.8 -66.6 -19.8 26.4 18.4 69.0 110 162 A L H <> S+ 0 0 0 -3,-2.6 4,-3.3 1,-0.2 -1,-0.2 0.686 81.2 79.9 -81.4 -17.0 24.7 15.7 71.1 111 163 A V H <> S+ 0 0 3 -3,-1.2 4,-2.4 -4,-0.3 -1,-0.2 0.928 94.9 44.9 -58.1 -46.7 25.4 12.9 68.5 112 164 A S H > S+ 0 0 62 -4,-0.4 4,-1.7 -3,-0.2 -1,-0.2 0.852 115.6 50.5 -65.4 -31.0 29.0 12.3 69.5 113 165 A R H X S+ 0 0 83 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.918 108.3 50.0 -71.2 -44.5 27.9 12.5 73.2 114 166 A I H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.929 109.4 53.5 -59.0 -43.4 25.1 9.9 72.6 115 167 A A H X S+ 0 0 7 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.905 109.0 48.2 -57.8 -43.5 27.7 7.7 71.0 116 168 A A H X S+ 0 0 21 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.917 111.6 50.3 -64.2 -42.6 30.0 8.0 74.0 117 169 A W H X S+ 0 0 25 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.890 109.6 50.5 -62.9 -41.0 27.1 7.2 76.3 118 170 A M H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.928 109.8 49.6 -63.7 -44.9 26.1 4.1 74.3 119 171 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.892 112.8 48.1 -60.6 -41.1 29.6 2.7 74.4 120 172 A T H X S+ 0 0 61 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.928 114.5 44.9 -64.5 -46.6 29.8 3.3 78.1 121 173 A Y H X>S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 5,-1.0 0.893 113.7 50.8 -65.0 -41.8 26.4 1.6 78.7 122 174 A L H X>S+ 0 0 0 -4,-3.1 5,-2.7 3,-0.2 4,-1.0 0.958 113.7 43.7 -60.5 -53.2 27.3 -1.2 76.3 123 175 A N H <5S+ 0 0 45 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.861 122.6 38.8 -62.3 -36.2 30.6 -1.9 78.1 124 176 A D H <5S+ 0 0 85 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.970 131.5 14.7 -80.7 -57.6 29.1 -1.6 81.5 125 177 A H H <5S+ 0 0 68 -4,-2.5 4,-0.4 -5,-0.2 -3,-0.2 0.745 129.5 36.0 -94.7 -27.0 25.7 -3.3 81.4 126 178 A L T X S+ 0 0 78 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.956 111.6 36.4 -53.7 -50.1 28.6 -9.0 80.7 129 181 A W H > S+ 0 0 62 -4,-0.4 4,-1.2 -3,-0.3 6,-0.2 0.899 116.7 54.1 -69.1 -40.4 25.6 -10.8 79.2 130 182 A I H ><>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 3,-0.8 0.943 109.4 46.8 -59.3 -49.2 27.0 -10.7 75.7 131 183 A Q H ><5S+ 0 0 114 -4,-3.4 3,-0.6 1,-0.2 -1,-0.2 0.783 111.6 52.7 -64.3 -27.1 30.2 -12.4 76.7 132 184 A E H 3<5S+ 0 0 155 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.667 109.9 48.2 -82.8 -18.1 28.3 -15.0 78.7 133 185 A N T <<5S- 0 0 66 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.025 135.6 -65.7-114.0 28.9 26.1 -15.9 75.7 134 186 A G T X>5 - 0 0 40 -3,-0.6 4,-0.6 4,-0.1 3,-0.6 0.237 68.5-113.5 113.7 -14.7 28.6 -16.4 72.9 135 187 A G H >>< - 0 0 6 -5,-3.0 4,-1.1 -6,-0.2 3,-0.9 -0.202 64.1 -44.7 75.7-176.1 30.1 -13.0 72.4 136 188 A W H 3> S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.630 132.6 72.4 -65.9 -11.5 29.5 -11.1 69.2 137 189 A D H <> S+ 0 0 109 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.921 98.3 46.5 -67.4 -43.4 30.2 -14.3 67.2 138 190 A T H