==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS/SIGNALING PROTEIN 20-MAR-12 2LR1 . COMPND 2 MOLECULE: APOPTOSIS REGULATOR BAX; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MA . 213 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 71.8 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 . 11 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 49.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 2 0 1 1 0 0 1 1 0 0 0 2 1 1 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 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 0 238 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.2 31.7 20.1 4.8 2 2 A D > - 0 0 130 1,-0.2 2,-1.8 2,-0.1 3,-1.1 0.895 360.0-175.5 -65.2 -40.6 32.9 16.7 3.6 3 3 A G T 3 - 0 0 60 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.559 67.8 -40.0 81.1 -80.9 33.4 15.5 7.1 4 4 A S T 3 S- 0 0 130 -2,-1.8 2,-0.3 1,-0.5 -1,-0.2 0.380 106.0 -60.5-152.5 -22.7 34.9 12.1 6.4 5 5 A G < - 0 0 54 -3,-1.1 2,-0.5 0, 0.0 -1,-0.5 -0.986 60.3 -66.0 162.4-161.7 33.0 10.8 3.4 6 6 A E S S+ 0 0 179 -2,-0.3 -3,-0.0 1,-0.2 -4,-0.0 -0.897 107.1 10.3-128.4 103.0 29.5 9.7 2.2 7 7 A Q S S- 0 0 131 -2,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.881 75.1-163.8 97.0 67.0 27.9 6.7 3.9 8 8 A P - 0 0 113 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.636 37.6 -63.3 -51.9-138.4 30.1 5.8 6.9 9 9 A R + 0 0 247 2,-0.0 2,-0.1 0, 0.0 -2,-0.1 -0.944 56.5 148.8-124.1 144.6 29.7 2.4 8.6 10 10 A G - 0 0 56 -2,-0.4 5,-0.1 -3,-0.1 0, 0.0 -0.500 48.6-112.8-175.7 98.4 26.7 0.8 10.3 11 11 A G S S+ 0 0 91 -2,-0.1 -2,-0.0 1,-0.1 0, 0.0 -0.022 97.1 50.9 -36.3 124.3 25.9 -2.9 10.4 12 12 A G - 0 0 35 3,-0.0 3,-0.1 144,-0.0 -1,-0.1 0.814 63.1-166.6 104.5 71.2 22.7 -3.3 8.4 13 13 A P S S+ 0 0 113 0, 0.0 2,-6.6 0, 0.0 5,-0.3 0.878 80.2 73.8 -49.1 -65.5 22.9 -1.7 5.0 14 14 A T S S+ 0 0 46 139,-0.1 143,-0.1 4,-0.1 142,-0.1 -0.101 78.0 159.4 -46.7 43.2 19.2 -1.8 4.1 15 15 A S - 0 0 39 -2,-6.6 4,-0.2 -3,-0.1 -1,-0.0 0.526 61.0 -80.4 -47.6-148.7 19.1 1.0 6.7 16 16 A S S > S+ 0 0 48 2,-0.1 4,-3.9 3,-0.1 5,-0.3 0.617 121.5 70.8 -97.8 -17.2 16.1 3.4 6.7 17 17 A E H > S+ 0 0 131 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.959 103.9 39.2 -63.7 -52.3 17.4 5.5 3.8 18 18 A Q H > S+ 0 0 88 -5,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.721 122.2 47.4 -70.2 -20.4 16.9 2.9 1.2 19 19 A I H > S+ 0 0 2 -4,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.941 108.6 48.7 -84.3 -56.1 13.6 2.0 2.9 20 20 A M H X S+ 0 0 76 -4,-3.9 4,-1.6 1,-0.2 3,-0.3 0.860 113.4 51.5 -52.2 -37.3 12.1 5.4 3.4 21 21 A K H X S+ 0 0 132 -4,-1.7 4,-0.9 -5,-0.3 -1,-0.2 0.934 109.7 46.6 -66.5 -46.9 12.9 6.1 -0.2 22 22 A T H X S+ 0 0 8 -4,-1.0 4,-0.7 1,-0.2 5,-0.3 0.568 107.6 64.3 -71.9 -7.1 11.2 2.9 -1.4 23 23 A G H X S+ 0 0 10 -4,-1.0 4,-0.8 -3,-0.3 5,-0.3 0.947 108.7 32.7 -80.2 -54.1 8.3 3.9 0.9 24 24 A A H < S+ 0 0 40 -4,-1.6 4,-0.5 3,-0.1 -2,-0.2 0.572 123.8 53.7 -78.7 -8.7 7.2 7.1 -0.8 25 25 A L H X S+ 0 0 27 -4,-0.9 4,-1.6 -5,-0.2 -3,-0.2 0.916 102.3 45.8 -87.0 -81.0 8.2 5.6 -4.1 26 26 A L H >X S+ 0 0 21 -4,-0.7 4,-1.9 1,-0.3 3,-1.7 0.824 121.4 41.6 -26.6 -65.9 6.5 2.2 -4.6 27 27 A L H 3X S+ 0 0 14 -4,-0.8 4,-1.9 -5,-0.3 -1,-0.3 0.955 108.3 58.1 -51.2 -58.0 3.2 3.7 -3.4 28 28 A Q H 3> S+ 0 0 9 -4,-0.5 4,-1.1 -5,-0.3 -1,-0.3 0.705 113.3 46.4 -47.3 -18.0 3.7 6.9 -5.4 29 29 A G H << S+ 0 0 28 -3,-1.7 4,-0.4 -4,-1.6 -2,-0.2 0.929 105.8 48.6 -88.7 -72.8 3.9 4.4 -8.3 30 30 A F H X S+ 0 0 6 -4,-1.9 4,-1.0 1,-0.2 3,-0.3 0.707 114.3 58.0 -42.1 -18.9 1.1 1.9 -8.0 31 31 A I H X S+ 0 0 4 -4,-1.9 4,-1.6 -5,-0.3 5,-0.4 0.983 111.5 31.8 -77.0 -69.3 -0.9 5.2 -7.5 32 32 A Q H < S+ 0 0 67 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.040 116.5 67.4 -78.8 30.2 -0.2 7.1 -10.7 33 33 A D H 4 S+ 0 0 63 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.750 110.9 21.0-113.2 -50.9 0.0 3.8 -12.5 34 34 A R H < S+ 0 0 75 -4,-1.0 -2,-0.2 -3,-0.4 -3,-0.1 0.735 137.0 36.8 -91.4 -26.9 -3.4 2.3 -12.5 35 35 A A S < S+ 0 0 35 -4,-1.6 2,-1.4 -5,-0.3 -3,-0.2 0.561 84.2 116.6 -99.3 -12.7 -5.2 5.6 -11.9 36 36 A G - 0 0 33 -5,-0.4 -4,-0.1 7,-0.0 2,-0.0 -0.384 58.9-153.1 -60.5 90.8 -2.8 7.6 -14.1 37 37 A R > - 0 0 177 -2,-1.4 3,-0.9 1,-0.1 2,-0.4 -0.336 14.9-113.5 -67.3 148.7 -5.3 8.7 -16.8 38 38 A M T 3 S+ 0 0 174 1,-0.2 3,-0.1 -2,-0.0 -1,-0.1 -0.678 97.8 18.8 -87.2 136.2 -4.0 9.4 -20.2 39 39 A G T 3 S+ 0 0 80 -2,-0.4 2,-1.2 1,-0.2 -1,-0.2 0.570 85.9 135.6 83.7 9.7 -4.1 13.0 -21.5 40 40 A G < - 0 0 28 -3,-0.9 -1,-0.2 -4,-0.0 -3,-0.0 -0.695 41.0-160.8 -94.2 86.1 -4.6 14.2 -17.9 41 41 A E + 0 0 180 -2,-1.2 -3,-0.0 1,-0.1 0, 0.0 -0.333 67.7 32.1 -65.6 146.3 -2.2 17.2 -17.8 42 42 A A S S- 0 0 69 1,-0.1 -1,-0.1 3,-0.0 2,-0.1 0.996 85.2-142.9 70.0 72.0 -1.1 18.3 -14.3 43 43 A P - 0 0 72 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.396 8.7-141.8 -67.9 139.7 -1.1 15.1 -12.3 44 44 A E S S+ 0 0 85 1,-0.2 2,-1.2 -2,-0.1 -12,-0.0 0.654 92.2 78.0 -75.7 -15.1 -2.3 15.2 -8.7 45 45 A L + 0 0 20 88,-0.0 2,-0.4 -16,-0.0 3,-0.3 -0.483 66.6 166.3 -93.6 64.3 0.5 12.7 -7.8 46 46 A A + 0 0 73 -2,-1.2 -2,-0.0 1,-0.2 -18,-0.0 -0.659 34.4 81.4 -83.5 131.8 3.3 15.2 -7.8 47 47 A L S S+ 0 0 122 -2,-0.4 -1,-0.2 -19,-0.0 -22,-0.1 -0.222 86.1 28.1 175.7 -72.7 6.6 14.0 -6.3 48 48 A D - 0 0 42 -3,-0.3 -3,-0.0 1,-0.2 0, 0.0 -0.966 57.4-149.2-120.7 126.3 8.8 11.8 -8.4 49 49 A P S S- 0 0 128 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.946 76.8 -26.8 -53.9 -55.2 9.0 12.0 -12.2 50 50 A V S S- 0 0 85 0, 0.0 2,-0.2 0, 0.0 -21,-0.0 -0.978 71.5 -90.3-162.9 151.1 9.8 8.3 -12.7 51 51 A P - 0 0 46 0, 0.0 6,-0.0 0, 0.0 -3,-0.0 -0.478 30.4-164.3 -68.8 127.4 11.5 5.4 -10.9 52 52 A Q S S+ 0 0 187 -2,-0.2 5,-0.0 2,-0.0 0, 0.0 0.987 70.0 54.6 -74.9 -72.2 15.3 5.2 -11.6 53 53 A D S >> S- 0 0 72 1,-0.1 3,-0.6 4,-0.0 4,-0.6 -0.287 77.1-136.1 -63.5 148.3 16.2 1.7 -10.4 54 54 A A H 3> S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.478 88.9 92.1 -83.8 -2.3 14.2 -1.2 -11.8 55 55 A S H 3> S+ 0 0 78 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.886 94.5 36.6 -58.1 -39.8 14.0 -2.7 -8.3 56 56 A T H <> S+ 0 0 10 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.825 107.5 67.4 -81.8 -33.8 10.7 -0.9 -7.8 57 57 A K H X S+ 0 0 117 -4,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.943 105.4 41.5 -50.4 -54.8 9.6 -1.4 -11.4 58 58 A K H >X S+ 0 0 121 -4,-2.0 4,-1.1 1,-0.2 3,-0.6 0.934 115.3 50.1 -59.9 -47.7 9.2 -5.1 -10.9 59 59 A L H 3X S+ 0 0 16 -4,-1.1 4,-0.9 -5,-0.3 -1,-0.2 0.784 106.3 58.7 -62.0 -26.3 7.7 -4.7 -7.5 60 60 A S H 3X S+ 0 0 18 -4,-2.5 4,-1.3 1,-0.2 3,-0.3 0.856 98.1 57.8 -71.4 -35.3 5.3 -2.2 -9.1 61 61 A E H < S+ 0 0 97 -4,-1.0 3,-2.0 2,-0.2 -2,-0.2 0.962 119.6 42.2 -79.6 -58.5 -7.5 -8.9 -10.2 70 70 A L H >< S+ 0 0 6 -4,-3.9 3,-2.3 1,-0.3 7,-0.3 0.901 111.3 57.1 -55.1 -43.1 -8.5 -7.9 -6.7 71 71 A D T 3< S+ 0 0 58 -4,-2.7 -1,-0.3 -5,-0.4 -2,-0.2 0.600 98.8 63.8 -65.0 -8.8 -10.1 -4.8 -8.1 72 72 A S T < S+ 0 0 85 -3,-2.0 2,-0.8 -5,-0.1 -1,-0.3 0.315 77.7 105.8 -96.4 7.1 -12.2 -7.2 -10.1 73 73 A N <> - 0 0 65 -3,-2.3 4,-2.2 1,-0.2 5,-0.3 -0.795 53.4-165.3 -93.0 111.5 -13.8 -8.7 -7.0 74 74 A M H > S+ 0 0 132 -2,-0.8 4,-0.6 3,-0.2 -1,-0.2 0.623 88.0 58.9 -68.3 -11.2 -17.4 -7.6 -6.6 75 75 A E H > S+ 0 0 143 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.972 112.3 30.3 -80.4 -67.2 -17.1 -8.9 -3.1 76 76 A L H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.891 121.5 54.4 -59.9 -40.3 -14.2 -6.9 -1.6 77 77 A Q H X S+ 0 0 29 -4,-2.2 4,-0.7 -7,-0.3 -1,-0.2 0.876 109.1 48.5 -61.7 -37.9 -15.1 -3.9 -3.9 78 78 A R H >X S+ 0 0 174 -4,-0.6 4,-1.1 -5,-0.3 3,-1.1 0.922 106.7 55.3 -68.5 -44.9 -18.7 -4.0 -2.6 79 79 A M H >X S+ 0 0 44 -4,-2.4 4,-1.0 1,-0.3 3,-0.9 0.904 104.2 54.5 -54.6 -43.9 -17.6 -4.1 1.1 80 80 A I H 3< S+ 0 0 18 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.759 107.8 51.4 -62.4 -23.8 -15.5 -1.0 0.6 81 81 A A H << S+ 0 0 48 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.670 104.8 55.7 -86.0 -18.7 -18.7 0.7 -0.7 82 82 A A H << S+ 0 0 58 -4,-1.1 2,-1.4 -3,-0.9 -2,-0.2 0.628 87.8 85.3 -86.7 -15.1 -20.7 -0.4 2.3 83 83 A V S < S- 0 0 23 -4,-1.0 -1,-0.2 -5,-0.2 107,-0.0 -0.641 79.8-146.6 -89.7 82.6 -18.2 1.3 4.6 84 84 A D - 0 0 71 -2,-1.4 2,-0.5 1,-0.1 -2,-0.1 0.104 12.4-121.5 -41.1 161.7 -19.5 4.9 4.6 85 85 A T + 0 0 45 1,-0.1 -1,-0.1 6,-0.0 -2,-0.0 -0.958 59.0 125.8-118.9 121.2 -17.0 7.6 4.9 86 86 A D S S+ 0 0 92 -2,-0.5 -1,-0.1 1,-0.0 -2,-0.1 0.287 82.6 20.6-149.8 0.2 -17.1 10.2 7.8 87 87 A S > + 0 0 10 2,-0.0 4,-2.3 1,-0.0 5,-0.4 -0.370 50.4 179.4-175.9 86.3 -13.6 10.0 9.3 88 88 A P H > S+ 0 0 34 0, 0.0 4,-0.6 0, 0.0 5,-0.1 0.668 89.8 55.6 -66.9 -16.5 -10.7 8.6 7.3 89 89 A R H > S+ 0 0 161 3,-0.2 4,-1.1 2,-0.1 5,-0.1 0.826 112.6 39.1 -85.2 -35.0 -8.5 9.3 10.3 90 90 A E H > S+ 0 0 114 -3,-0.3 4,-2.2 2,-0.2 5,-0.1 0.965 122.0 39.2 -78.3 -58.1 -10.6 7.2 12.7 91 91 A V H X S+ 0 0 19 -4,-2.3 4,-4.0 2,-0.2 5,-0.5 0.947 113.2 56.7 -57.0 -51.5 -11.5 4.3 10.5 92 92 A F H X S+ 0 0 7 -4,-0.6 4,-2.6 -5,-0.4 -1,-0.2 0.918 113.1 40.4 -45.8 -52.5 -8.0 4.2 9.0 93 93 A F H X S+ 0 0 123 -4,-1.1 4,-0.7 2,-0.2 -1,-0.3 0.820 118.4 50.2 -67.5 -30.7 -6.5 3.8 12.4 94 94 A R H >X S+ 0 0 143 -4,-2.2 4,-2.2 2,-0.2 3,-0.5 0.978 116.0 37.7 -71.4 -58.1 -9.3 1.4 13.4 95 95 A V H 3X S+ 0 0 0 -4,-4.0 4,-2.6 1,-0.3 -2,-0.2 0.936 114.0 56.1 -59.2 -48.1 -9.1 -0.9 10.4 96 96 A A H 3X S+ 0 0 8 -4,-2.6 4,-0.7 -5,-0.5 -1,-0.3 0.793 110.9 47.1 -55.0 -27.7 -5.3 -0.7 10.3 97 97 A A H << S+ 0 0 48 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.864 107.9 53.4 -81.9 -38.9 -5.5 -1.9 13.9 98 98 A D H >< S+ 0 0 50 -4,-2.2 3,-1.8 1,-0.2 4,-0.3 0.883 94.7 73.3 -63.1 -38.7 -7.9 -4.7 13.2 99 99 A M H 3< S+ 0 0 9 -4,-2.6 2,-0.3 1,-0.3 4,-0.3 0.914 118.8 12.2 -38.4 -69.0 -5.7 -6.1 10.5 100 100 A F T 3< S+ 0 0 67 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 -0.446 84.2 134.3-111.2 57.6 -3.1 -7.4 12.9 101 101 A S S < S- 0 0 87 -3,-1.8 -1,-0.2 -2,-0.3 -2,-0.1 0.777 99.4 -21.4 -74.7 -26.8 -5.0 -7.1 16.2 102 102 A D S S+ 0 0 138 -4,-0.3 -2,-0.1 -3,-0.3 -1,-0.1 0.353 105.0 112.9-155.6 -18.3 -4.0 -10.6 17.2 103 103 A G S S- 0 0 51 -4,-0.3 -3,-0.1 1,-0.2 -4,-0.0 0.821 98.5 -79.0 -26.4 -80.7 -3.0 -12.4 14.0 104 104 A N - 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.203 50.7 -96.8 174.5 34.4 0.7 -12.7 14.8 105 105 A F S S+ 0 0 128 -5,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.783 76.4 152.3 42.6 29.2 2.3 -9.4 14.1 106 106 A N - 0 0 55 1,-0.1 -6,-0.0 4,-0.0 -1,-0.0 0.851 46.4-132.6 -52.2-110.4 3.2 -11.0 10.8 107 107 A W S > S+ 0 0 22 44,-0.0 3,-2.6 54,-0.0 4,-0.4 0.174 79.6 96.3 174.5 -26.1 3.6 -8.4 8.0 108 108 A G T >> S+ 0 0 28 1,-0.3 3,-1.1 2,-0.2 4,-0.9 0.882 76.3 69.9 -50.2 -42.1 1.6 -9.6 5.0 109 109 A R H 3> S+ 0 0 7 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.772 84.9 74.5 -48.1 -26.0 -1.3 -7.5 6.2 110 110 A V H X> S+ 0 0 3 -3,-2.6 4,-1.4 1,-0.2 3,-1.2 0.959 89.8 52.7 -52.7 -57.9 1.0 -4.6 5.1 111 111 A V H <> S+ 0 0 18 -3,-1.1 4,-1.5 -4,-0.4 3,-0.4 0.892 106.8 54.0 -45.2 -46.8 0.4 -5.2 1.4 112 112 A A H 3X S+ 0 0 4 -4,-0.9 4,-3.3 1,-0.2 -1,-0.3 0.853 100.3 62.3 -58.1 -35.1 -3.3 -5.1 2.1 113 113 A L H S+ 0 0 4 -4,-1.7 4,-3.9 -5,-0.3 5,-0.5 0.891 95.6 52.3 -48.7 -44.2 -5.6 3.1 -2.6 119 119 A K H X5S+ 0 0 41 -4,-1.2 4,-2.8 -3,-0.4 5,-0.3 0.912 110.5 46.7 -60.0 -43.6 -9.3 3.5 -2.3 120 120 A L H X5S+ 0 0 30 -4,-0.8 4,-1.0 -3,-0.3 -1,-0.2 0.822 117.6 44.6 -68.2 -30.9 -8.9 6.5 0.0 121 121 A V H X5S+ 0 0 2 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.952 125.1 30.0 -77.4 -53.5 -6.3 7.9 -2.4 122 122 A L H X5S+ 0 0 36 -4,-3.9 4,-1.0 2,-0.2 3,-0.2 0.892 119.1 56.0 -73.1 -40.5 -8.2 7.3 -5.6 123 123 A K H >XS+ 0 0 8 -4,-1.0 5,-1.3 -5,-0.3 4,-0.6 0.713 100.6 71.2 -76.3 -20.5 -10.7 11.1 -2.8 125 125 A L H 3<5S+ 0 0 58 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.821 103.4 41.7 -64.4 -30.6 -9.2 11.9 -6.2 126 126 A C H <<5S+ 0 0 103 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.834 99.3 70.5 -84.6 -35.8 -12.7 12.0 -7.7 127 127 A T H <5S- 0 0 68 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.698 116.7-111.4 -54.3 -17.0 -14.2 13.9 -4.7 128 128 A K T <5S+ 0 0 179 -4,-0.6 -3,-0.2 -3,-0.2 -2,-0.1 0.899 82.5 116.3 85.1 46.4 -12.2 16.8 -6.0 129 129 A V >>< + 0 0 50 -5,-1.3 3,-0.8 1,-0.1 4,-0.6 -0.662 30.1 171.8-148.4 86.9 -9.7 17.0 -3.2 130 130 A P H 3> S+ 0 0 44 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.654 75.2 75.8 -69.2 -15.4 -6.0 16.4 -4.0 131 131 A E H 3> S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.905 89.5 54.9 -63.6 -42.0 -5.1 17.5 -0.5 132 132 A L H <> S+ 0 0 62 -3,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.848 100.3 62.4 -60.1 -34.2 -6.3 14.3 1.0 133 133 A I H X S+ 0 0 0 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.941 109.0 38.9 -56.9 -50.1 -4.0 12.4 -1.4 134 134 A R H X S+ 0 0 139 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.853 114.6 55.0 -69.3 -34.7 -0.9 14.0 0.1 135 135 A T H X S+ 0 0 59 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.831 108.3 50.4 -67.2 -32.0 -2.4 13.7 3.6 136 136 A I H >X S+ 0 0 5 -4,-2.5 3,-1.9 2,-0.2 4,-1.2 0.981 103.2 54.6 -69.7 -58.8 -2.9 10.0 3.1 137 137 A M H 3X S+ 0 0 27 -4,-2.0 4,-2.1 1,-0.3 5,-0.3 0.766 103.3 62.9 -46.4 -25.6 0.6 9.2 1.9 138 138 A G H 3X S+ 0 0 36 -4,-0.9 4,-1.9 1,-0.2 -1,-0.3 0.894 97.5 52.6 -68.6 -40.6 1.6 10.9 5.2 139 139 A W H S+ 0 0 15 -4,-3.4 5,-1.3 1,-0.2 -2,-0.2 0.857 115.6 45.1 -71.1 -35.5 6.1 2.6 8.1 145 145 A R H <5S+ 0 0 125 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.2 0.585 120.3 41.9 -83.0 -10.7 8.6 4.9 9.7 146 146 A E H <5S+ 0 0 124 -4,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.426 135.7 1.3-112.0 -4.5 7.1 4.3 13.1 147 147 A R T ><5S+ 0 0 139 -4,-0.8 3,-2.3 -5,-0.1 4,-0.4 -0.021 122.0 46.7-142.3-110.8 6.6 0.6 12.6 148 148 A L T 3>>S+ 0 0 17 1,-0.3 4,-4.6 -5,-0.3 5,-0.6 0.669 101.3 82.8 -15.4 -27.7 7.5 -1.7 9.7 149 149 A L H 3>5S+ 0 0 47 -3,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.950 128.1 37.0 -64.0 -50.5 12.0 -2.0 12.8 151 151 A W H >>5S+ 0 0 137 -4,-0.4 3,-1.4 2,-0.2 4,-0.9 0.973 116.7 50.5 -66.4 -55.8 10.5 -5.2 11.4 152 152 A I H ><>S+ 0 0 0 -4,-4.6 5,-2.4 1,-0.3 3,-0.6 0.837 107.6 57.0 -51.4 -34.2 11.1 -4.3 7.7 153 153 A Q H >< > S+ 0 0 23 1,-0.2 4,-1.3 -2,-0.2 3,-0.6 0.544 121.6 86.1 -73.9 -5.7 11.3 -4.5 1.0 159 159 A D H <> S+ 0 0 107 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.906 79.1 60.8 -60.8 -42.4 13.1 -7.4 -0.6 160 160 A G H <> S+ 0 0 21 -3,-0.9 4,-1.2 -5,-0.4 -1,-0.2 0.825 99.9 58.5 -54.4 -32.1 11.5 -9.8 1.9 161 161 A L H X> S+ 0 0 17 -3,-0.6 4,-1.5 -4,-0.3 3,-0.6 0.965 110.9 37.8 -63.0 -54.0 8.2 -8.7 0.5 162 162 A L H 3< S+ 0 0 44 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.823 112.1 60.6 -67.1 -31.1 9.0 -9.7 -3.1 163 163 A S H 3< S+ 0 0 86 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.780 103.6 51.7 -66.8 -26.1 10.8 -12.8 -1.7 164 164 A Y H << S+ 0 0 135 -4,-1.2 2,-2.9 -3,-0.6 -1,-0.2 0.898 94.3 69.1 -76.9 -42.5 7.6 -13.9 -0.2 165 165 A F S < S+ 0 0 65 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 -0.156 76.7 95.3 -71.7 48.1 5.5 -13.6 -3.3 166 166 A G + 0 0 68 -2,-2.9 -1,-0.2 -3,-0.3 -2,-0.1 -0.162 57.0 108.2-131.3 39.5 7.5 -16.6 -4.7 167 167 A T - 0 0 67 1,-0.2 3,-0.1 -3,-0.2 6,-0.0 -0.518 68.9 -97.2-108.9 178.6 5.2 -19.5 -3.9 168 168 A P S S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.433 95.5 22.4 -71.5-145.7 3.0 -21.8 -6.0 169 169 A T > - 0 0 78 1,-0.2 3,-1.4 2,-0.1 4,-0.2 0.152 67.0-158.5 -23.4 102.2 -0.8 -21.4 -6.6 170 170 A W G >> S+ 0 0 191 1,-0.3 3,-3.0 2,-0.2 4,-1.5 0.707 76.1 95.2 -65.5 -18.5 -1.0 -17.7 -5.8 171 171 A Q G 34 S+ 0 0 104 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.672 81.2 58.8 -47.2 -14.4 -4.7 -18.3 -5.1 172 172 A T G <4 S+ 0 0 66 -3,-1.4 -1,-0.3 -4,-0.2 4,-0.2 0.775 100.9 52.1 -86.7 -29.6 -3.4 -18.6 -1.5 173 173 A V T X> S+ 0 0 14 -3,-3.0 4,-2.1 2,-0.2 3,-1.4 0.924 108.2 49.3 -72.1 -45.6 -2.0 -15.1 -1.5 174 174 A T T 3< S+ 0 0 36 -4,-1.5 4,-0.5 1,-0.3 -1,-0.2 0.771 110.0 53.8 -64.6 -24.9 -5.2 -13.4 -2.6 175 175 A I T 3> S+ 0 0 113 -4,-0.4 4,-0.6 -5,-0.4 -1,-0.3 0.539 110.7 48.4 -85.7 -7.5 -7.0 -15.4 0.1 176 176 A F H <> S+ 0 0 83 -3,-1.4 4,-2.1 -4,-0.2 5,-0.3 0.897 111.5 41.7 -94.6 -60.0 -4.6 -14.0 2.7 177 177 A V H X S+ 0 0 10 -4,-2.1 4,-0.9 1,-0.2 5,-0.2 0.691 125.6 42.3 -62.1 -16.7 -4.4 -10.3 2.1 178 178 A A H >>S+ 0 0 18 -4,-0.5 4,-3.1 -5,-0.3 5,-0.5 0.851 110.2 51.7 -95.5 -45.9 -8.2 -10.5 1.6 179 179 A G H X5S+ 0 0 47 -4,-0.6 4,-0.6 3,-0.2 -2,-0.2 0.780 118.7 41.3 -62.3 -26.2 -9.1 -12.9 4.4 180 180 A V H X5S+ 0 0 28 -4,-2.1 4,-1.1 2,-0.1 -1,-0.2 0.918 123.8 34.1 -86.2 -51.7 -7.2 -10.6 6.8 181 181 A L H X5S+ 0 0 3 -4,-0.9 4,-1.3 -5,-0.3 3,-0.4 0.939 116.9 54.9 -69.3 -48.0 -8.3 -7.2 5.5 182 182 A T H >X5S+ 0 0 26 -4,-3.1 4,-1.6 1,-0.2 3,-1.2 0.930 102.6 57.1 -50.5 -51.4 -11.8 -8.4 4.5 183 183 A A H >X S+ 0 0 133 3,-0.1 4,-1.8 2,-0.1 5,-0.2 0.930 108.8 8.2 -84.5 -81.1 -25.8 10.7 -6.2 202 138 B R H > S+ 0 0 185 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.759 125.4 67.0 -73.6 -24.6 -27.6 12.3 -3.3 203 139 B R H > S+ 0 0 72 2,-0.2 4,-1.1 3,-0.2 -1,-0.2 0.911 112.5 30.2 -61.8 -43.1 -25.5 10.4 -0.9 204 140 B H H >> S+ 0 0 95 2,-0.2 4,-2.0 -3,-0.2 3,-0.9 0.973 112.1 59.2 -79.6 -64.9 -22.4 12.4 -1.9 205 141 B R H 3X S+ 0 0 176 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.775 118.2 38.6 -34.2 -32.4 -23.9 15.8 -3.0 206 142 B F H 3X S+ 0 0 136 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.3 0.792 103.8 67.7 -90.6 -33.1 -25.1 15.7 0.7 207 143 B L H << S+ 0 0 60 -4,-1.1 -2,-0.2 -3,-0.9 -3,-0.1 0.856 113.1 33.3 -54.8 -36.1 -21.9 14.2 2.1 208 144 B W H < S+ 0 0 208 -4,-2.0 3,-0.5 2,-0.1 -2,-0.2 0.946 110.5 61.0 -84.4 -58.7 -20.1 17.4 1.2 209 145 B Q H < + 0 0 90 -4,-1.3 2,-1.9 -5,-0.3 -2,-0.2 0.867 63.1 134.4 -31.7 -68.9 -22.9 20.0 1.7 210 146 B R S < S+ 0 0 170 -4,-1.7 2,-0.4 2,-0.0 -1,-0.2 -0.231 78.6 1.8 51.9 -81.9 -23.3 19.2 5.4 211 147 B R S S- 0 0 180 -2,-1.9 3,-0.3 -3,-0.5 2,-0.2 -0.999 78.6-115.8-138.2 137.3 -23.3 22.8 6.4 212 148 B Q S S+ 0 0 117 -2,-0.4 -2,-0.0 1,-0.2 -3,-0.0 -0.499 95.0 1.4 -71.8 134.3 -23.1 26.0 4.4 213 149 B R 0 0 235 -2,-0.2 -1,-0.2 1,-0.0 0, 0.0 0.978 360.0 360.0 51.5 76.4 -20.0 28.1 5.1 214 150 B A 0 0 140 -3,-0.3 -2,-0.0 0, 0.0 -1,-0.0 -0.063 360.0 360.0 -41.1 360.0 -18.3 25.9 7.6