==== 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 18-MAY-00 1F16 . COMPND 2 MOLECULE: PROTEIN (APOPTOSIS REGULATOR BAX, MEMBRANE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SUZUKI,R.J.YOULE,N.TJANDRA . 192 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 71.4 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 . 6 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 55.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 1 1 1 0 0 0 0 1 0 0 0 0 1 2 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 1 A M 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.5 36.5 3.8 15.8 2 2 A D - 0 0 142 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.176 360.0-170.2-169.6 63.4 36.7 0.8 13.3 3 3 A G - 0 0 74 1,-0.2 0, 0.0 3,-0.1 0, 0.0 -0.455 11.7-155.4 -64.1 117.2 33.7 0.5 11.0 4 4 A S S S+ 0 0 129 -2,-0.4 -1,-0.2 2,-0.0 0, 0.0 0.929 82.2 47.2 -61.7 -42.4 34.1 -2.8 9.3 5 5 A G S S- 0 0 56 1,-0.1 -2,-0.0 -3,-0.1 0, 0.0 0.452 74.5-157.3 -73.0-138.4 32.1 -1.7 6.3 6 6 A E - 0 0 182 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.011 68.6 -7.6-167.6 -71.4 32.8 1.7 4.6 7 7 A Q > + 0 0 123 1,-0.1 3,-0.8 4,-0.0 4,-0.4 -0.472 55.1 167.2-145.5 69.5 29.9 3.4 2.6 8 8 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.499 87.1 38.2 -63.5 -0.1 27.0 1.0 2.3 9 9 A R T 3 S+ 0 0 202 6,-0.1 6,-0.0 2,-0.0 3,-0.0 -0.388 83.7 99.9-149.4 65.5 25.1 4.0 1.0 10 10 A G S < S- 0 0 63 -3,-0.8 2,-0.2 1,-0.1 5,-0.0 0.715 94.4 -27.7-116.7 -49.9 27.3 6.3 -1.1 11 11 A G S S+ 0 0 81 -4,-0.4 -1,-0.1 2,-0.1 -2,-0.0 -0.702 92.3 72.3-173.2 116.6 26.4 5.5 -4.8 12 12 A G S S- 0 0 43 -2,-0.2 0, 0.0 -3,-0.0 0, 0.0 -0.878 77.8 -47.7 156.5 172.8 25.1 2.4 -6.5 13 13 A P S S+ 0 0 103 0, 0.0 -2,-0.1 0, 0.0 144,-0.1 0.052 110.1 50.2 -59.2 174.5 21.9 0.2 -6.9 14 14 A T S S+ 0 0 80 1,-0.2 2,-0.4 142,-0.1 143,-0.1 0.933 81.5 150.4 57.6 45.1 19.9 -0.8 -3.8 15 15 A S >> - 0 0 35 1,-0.1 4,-1.7 -6,-0.0 3,-0.8 -0.888 63.3-119.0-111.6 139.6 19.9 2.9 -2.6 16 16 A S H 3> S+ 0 0 55 -2,-0.4 4,-1.0 1,-0.2 5,-0.1 0.594 113.1 66.2 -52.1 -2.0 17.1 4.5 -0.5 17 17 A E H 3> S+ 0 0 109 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.925 100.7 40.8 -87.3 -50.7 16.7 6.7 -3.6 18 18 A Q H <> S+ 0 0 60 -3,-0.8 4,-2.4 2,-0.2 5,-0.3 0.908 118.2 50.5 -64.6 -38.2 15.6 4.1 -6.2 19 19 A I H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.999 111.1 44.8 -62.9 -65.2 13.2 2.5 -3.6 20 20 A M H X S+ 0 0 40 -4,-1.0 4,-2.3 1,-0.2 5,-0.2 0.891 115.6 50.2 -44.4 -47.1 11.5 5.8 -2.4 21 21 A K H X S+ 0 0 104 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.977 112.7 42.5 -61.5 -56.9 11.1 6.9 -6.1 22 22 A T H X S+ 0 0 39 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.898 112.6 57.5 -59.5 -36.0 9.5 3.7 -7.4 23 23 A G H X S+ 0 0 5 -4,-2.9 4,-1.6 -5,-0.3 5,-0.3 0.944 109.2 42.4 -61.1 -47.0 7.4 3.5 -4.3 24 24 A A H X S+ 0 0 32 -4,-2.3 4,-1.0 -5,-0.3 -1,-0.2 0.770 118.2 47.5 -73.2 -21.5 5.9 7.0 -4.9 25 25 A L H X S+ 0 0 37 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.939 108.7 52.3 -82.2 -51.3 5.4 6.2 -8.6 26 26 A L H X S+ 0 0 22 -4,-3.2 4,-2.1 -5,-0.2 3,-0.4 0.951 115.8 38.9 -50.2 -57.3 3.9 2.7 -8.2 27 27 A L H X S+ 0 0 19 -4,-1.6 4,-1.3 -5,-0.3 -1,-0.2 0.978 115.5 51.7 -61.9 -51.3 1.1 3.9 -5.8 28 28 A Q H X S+ 0 0 15 -4,-1.0 4,-1.7 -5,-0.3 -1,-0.2 0.783 110.9 55.0 -55.0 -22.5 0.6 7.2 -7.7 29 29 A G H X S+ 0 0 8 -4,-1.8 4,-2.3 -3,-0.4 5,-0.4 0.979 102.1 48.5 -77.0 -61.9 0.2 4.9 -10.7 30 30 A F H X S+ 0 0 1 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.738 116.0 51.0 -53.9 -16.9 -2.5 2.4 -9.7 31 31 A I H X S+ 0 0 13 -4,-1.3 4,-1.9 -5,-0.3 3,-0.4 0.951 106.5 47.0 -85.5 -61.6 -4.5 5.5 -8.6 32 32 A Q H X S+ 0 0 59 -4,-1.7 4,-1.4 1,-0.3 3,-0.3 0.896 115.7 49.3 -46.5 -41.6 -4.3 7.8 -11.7 33 33 A D H < S+ 0 0 45 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.914 113.1 46.0 -66.9 -39.3 -5.2 4.7 -13.8 34 34 A R H < S+ 0 0 82 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.640 105.8 61.5 -78.6 -11.6 -8.1 4.0 -11.4 35 35 A A H < S- 0 0 53 -4,-1.9 2,-0.3 -3,-0.3 -1,-0.2 0.849 116.8-101.2 -83.9 -30.1 -9.2 7.7 -11.5 36 36 A G < - 0 0 44 -4,-1.4 -1,-0.3 -5,-0.3 0, 0.0 -0.988 57.4 -34.7 151.5-139.3 -9.9 7.6 -15.2 37 37 A R S S- 0 0 208 -2,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.854 84.5 -82.6 -83.3 -94.6 -8.0 8.7 -18.4 38 38 A M - 0 0 145 -3,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.959 26.4-144.2-164.7 178.5 -6.1 11.9 -17.8 39 39 A G > - 0 0 47 -2,-0.3 3,-0.8 3,-0.0 0, 0.0 -0.800 22.3-124.1-161.4 113.7 -6.4 15.7 -17.7 40 40 A G T 3 S+ 0 0 71 -2,-0.3 2,-3.2 1,-0.2 -2,-0.0 -0.007 97.9 23.6 -51.3 165.5 -3.9 18.4 -18.9 41 41 A E T 3 S- 0 0 187 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.034 85.5-158.7 66.9 -41.8 -2.8 21.0 -16.3 42 42 A A < - 0 0 41 -2,-3.2 -1,-0.2 -3,-0.8 -2,-0.1 0.857 6.7-166.0 31.2 74.2 -3.8 18.5 -13.6 43 43 A P S S+ 0 0 120 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.741 77.8 58.7 -60.9 -20.4 -4.2 21.1 -10.9 44 44 A E S S+ 0 0 63 1,-0.3 2,-3.1 2,-0.1 3,-0.2 0.829 115.7 19.8 -74.6-102.1 -4.2 18.2 -8.4 45 45 A L S S+ 0 0 32 1,-0.2 3,-0.3 2,-0.0 -1,-0.3 -0.333 84.3 152.6 -67.0 74.1 -1.0 16.1 -8.6 46 46 A A + 0 0 68 -2,-3.1 2,-2.5 -3,-0.4 -1,-0.2 0.965 63.6 38.8 -69.8 -83.7 0.8 19.0 -10.3 47 47 A L S S+ 0 0 174 -3,-0.2 -1,-0.2 0, 0.0 -2,-0.0 -0.389 97.0 112.6 -68.2 80.2 4.5 18.5 -9.4 48 48 A D - 0 0 40 -2,-2.5 -23,-0.0 -3,-0.3 -3,-0.0 -0.990 67.7-112.2-152.2 144.4 4.4 14.7 -9.7 49 49 A P - 0 0 70 0, 0.0 -1,-0.0 0, 0.0 -4,-0.0 0.171 34.6-134.6 -59.4-170.3 6.0 12.0 -12.1 50 50 A V - 0 0 89 2,-0.1 -21,-0.1 -18,-0.0 2,-0.0 -0.993 33.3 -74.6-150.0 151.8 3.6 10.0 -14.4 51 51 A P S S+ 0 0 69 0, 0.0 2,-0.1 0, 0.0 -25,-0.0 -0.226 75.6 130.7 -48.3 115.1 3.3 6.4 -15.4 52 52 A Q + 0 0 153 1,-0.1 2,-0.2 -2,-0.0 -2,-0.1 -0.545 27.6 85.8-172.7 99.0 6.3 5.8 -17.7 53 53 A D > - 0 0 91 -2,-0.1 4,-2.9 2,-0.1 5,-0.3 -0.507 62.6-131.1 164.1 122.5 8.7 2.9 -17.4 54 54 A A H > S+ 0 0 90 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.817 112.0 46.5 -59.1 -26.7 8.6 -0.7 -18.8 55 55 A S H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.1 5,-0.2 0.952 117.9 37.8 -80.5 -53.4 9.5 -1.9 -15.2 56 56 A T H > S+ 0 0 21 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.798 113.4 61.1 -68.4 -24.3 7.1 0.2 -13.2 57 57 A K H X S+ 0 0 130 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.904 105.6 45.0 -70.3 -38.9 4.5 -0.4 -16.0 58 58 A K H >X S+ 0 0 72 -4,-1.0 4,-1.3 -5,-0.3 3,-0.5 0.937 108.2 55.3 -72.1 -44.4 4.6 -4.2 -15.5 59 59 A L H 3X S+ 0 0 21 -4,-1.9 4,-1.7 1,-0.3 -1,-0.2 0.810 104.1 58.2 -60.4 -20.3 4.3 -4.0 -11.7 60 60 A S H 3X S+ 0 0 20 -4,-0.9 4,-3.0 1,-0.2 5,-0.3 0.901 97.3 59.7 -74.4 -36.6 1.2 -1.9 -12.4 61 61 A E H S+ 0 0 27 -4,-1.3 4,-2.4 2,-0.2 5,-0.6 0.800 106.1 66.1 -91.5 -28.9 -6.0 -7.6 -8.7 67 67 A G H X5S+ 0 0 1 -4,-1.5 4,-0.8 -5,-0.2 -2,-0.2 0.849 109.4 42.0 -60.1 -28.8 -7.4 -4.1 -8.1 68 68 A D H X5S+ 0 0 107 -4,-1.6 4,-0.5 2,-0.1 -1,-0.2 0.917 117.5 43.7 -84.3 -47.0 -10.2 -5.1 -10.5 69 69 A E H ><5S+ 0 0 113 -4,-1.2 3,-1.6 -5,-0.3 -2,-0.2 0.985 119.3 41.8 -62.9 -56.9 -10.8 -8.7 -9.2 70 70 A L H ><5S+ 0 0 15 -4,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.930 109.9 57.8 -57.7 -45.6 -10.7 -7.7 -5.5 71 71 A D H 3< - 0 0 60 -3,-2.2 4,-1.6 1,-0.2 5,-0.1 -0.664 48.3-166.6 -79.5 117.0 -15.9 -8.8 -4.3 74 74 A M H > S+ 0 0 117 -2,-0.6 4,-0.9 2,-0.2 -1,-0.2 0.788 89.7 49.9 -77.7 -22.5 -19.4 -8.1 -3.0 75 75 A E H > S+ 0 0 160 2,-0.2 4,-1.1 1,-0.2 3,-0.2 0.941 113.4 43.3 -79.1 -47.3 -18.4 -9.6 0.4 76 76 A L H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.848 114.1 53.0 -68.1 -26.4 -15.3 -7.5 0.7 77 77 A Q H X S+ 0 0 80 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.816 106.5 52.4 -77.5 -24.3 -17.4 -4.5 -0.5 78 78 A R H < S+ 0 0 162 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.718 109.7 52.2 -79.6 -18.9 -19.9 -5.3 2.2 79 79 A M H >X S+ 0 0 39 -4,-1.1 3,-2.3 2,-0.2 4,-1.0 0.958 106.8 46.4 -80.6 -58.7 -17.1 -5.2 4.7 80 80 A I H >< S+ 0 0 45 -4,-2.0 3,-0.6 1,-0.3 -2,-0.2 0.855 111.3 56.4 -54.6 -29.9 -15.5 -1.8 3.9 81 81 A A T 3< S+ 0 0 68 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.721 99.5 60.5 -74.7 -17.5 -19.1 -0.5 3.9 82 82 A A T <4 S+ 0 0 74 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.720 103.5 55.8 -81.5 -19.4 -19.4 -1.9 7.5 83 83 A V S << S- 0 0 30 -4,-1.0 2,-0.2 -3,-0.6 -3,-0.1 0.534 77.3-158.8 -82.6-127.2 -16.5 0.4 8.7 84 84 A D - 0 0 85 1,-0.1 3,-0.1 -4,-0.0 -2,-0.1 -0.859 21.0-113.7 159.5 168.2 -16.7 4.2 8.2 85 85 A T + 0 0 72 -2,-0.2 2,-3.7 1,-0.1 6,-0.2 0.845 60.7 124.4 -92.4 -86.1 -14.4 7.2 8.0 86 86 A D S S+ 0 0 133 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 -0.224 97.7 15.5 59.5 -68.0 -15.0 9.6 11.0 87 87 A S > + 0 0 54 -2,-3.7 4,-2.1 -3,-0.1 3,-0.3 -0.626 69.2 169.9-134.9 75.3 -11.2 9.4 11.9 88 88 A P H > S+ 0 0 31 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.671 77.3 62.5 -61.2 -16.6 -9.3 7.9 9.0 89 89 A R H > S+ 0 0 173 2,-0.2 4,-1.9 3,-0.2 5,-0.3 0.953 107.1 38.8 -76.9 -48.7 -6.1 8.9 10.8 90 90 A E H > S+ 0 0 135 -3,-0.3 4,-3.2 2,-0.2 5,-0.3 0.944 120.8 46.1 -66.7 -45.1 -6.6 6.7 13.8 91 91 A V H X>S+ 0 0 18 -4,-2.1 4,-2.8 1,-0.2 5,-0.6 0.944 110.0 54.2 -64.0 -44.8 -8.1 3.8 11.8 92 92 A F H X5S+ 0 0 15 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.923 118.1 35.4 -56.4 -43.8 -5.3 4.1 9.1 93 93 A F H X5S+ 0 0 130 -4,-1.9 4,-2.2 3,-0.2 -2,-0.2 0.881 121.5 47.1 -80.4 -36.4 -2.6 3.7 11.8 94 94 A R H X5S+ 0 0 119 -4,-3.2 4,-1.8 -5,-0.3 -3,-0.2 0.988 117.0 41.0 -69.3 -56.1 -4.6 1.3 14.0 95 95 A V H X5S+ 0 0 2 -4,-2.8 4,-1.2 -5,-0.3 -3,-0.2 0.930 117.8 50.0 -57.1 -43.7 -5.7 -1.0 11.1 96 96 A A H >X< S+ 0 0 40 -4,-2.2 3,-0.6 1,-0.3 4,-0.2 0.840 104.6 59.9 -41.8 -37.6 -0.3 -1.6 12.8 98 98 A D H >< S+ 0 0 42 -4,-1.8 3,-0.9 1,-0.2 -1,-0.3 0.878 96.9 58.2 -64.1 -35.7 -2.5 -4.7 13.0 99 99 A M H << S+ 0 0 17 -3,-2.3 -1,-0.2 -4,-1.2 -2,-0.2 0.822 120.5 28.9 -66.1 -25.2 -1.2 -5.9 9.6 100 100 A F T << S+ 0 0 44 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.180 87.4 110.0-115.0 12.9 2.4 -5.9 11.1 101 101 A S S < S+ 0 0 86 -3,-0.9 2,-0.3 -5,-0.3 -1,-0.1 0.432 86.4 26.5 -72.8 8.6 1.4 -6.5 14.7 102 102 A D S S+ 0 0 115 -3,-0.2 0, 0.0 -4,-0.1 0, 0.0 -0.945 113.6 13.3-154.3 173.9 2.9 -10.0 14.5 103 103 A G S S- 0 0 66 -2,-0.3 3,-0.1 1,-0.1 -3,-0.0 -0.223 77.4-118.3 52.8-140.6 5.7 -11.8 12.4 104 104 A N S S+ 0 0 121 1,-0.1 2,-0.4 -3,-0.0 -1,-0.1 0.269 79.1 22.7-162.9 -49.1 7.8 -9.2 10.6 105 105 A F + 0 0 63 4,-0.0 2,-0.1 46,-0.0 -1,-0.1 -0.979 63.9 134.6-139.9 128.2 7.7 -9.6 6.8 106 106 A N - 0 0 65 -2,-0.4 -6,-0.0 -3,-0.1 -3,-0.0 -0.399 52.3-110.6-140.7-142.0 5.0 -11.2 4.5 107 107 A W S > S+ 0 0 81 -2,-0.1 4,-1.4 3,-0.1 5,-0.3 0.512 100.6 64.1-137.9 -29.3 3.2 -10.3 1.3 108 108 A G H > S+ 0 0 1 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.967 97.5 59.7 -66.0 -48.9 -0.5 -9.6 2.2 109 109 A R H > S+ 0 0 16 -10,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.921 108.4 43.4 -42.7 -59.3 0.5 -6.6 4.3 110 110 A V H >> S+ 0 0 15 2,-0.2 3,-2.1 1,-0.2 4,-2.0 0.992 120.5 37.3 -56.8 -69.9 2.1 -4.8 1.4 111 111 A V H 3X S+ 0 0 18 -4,-1.4 4,-2.1 1,-0.3 5,-0.3 0.937 116.7 53.9 -47.8 -51.0 -0.6 -5.5 -1.3 112 112 A A H 3X S+ 0 0 4 -4,-3.2 4,-0.8 -5,-0.3 -1,-0.3 0.690 108.9 52.2 -60.3 -15.3 -3.4 -5.1 1.3 113 113 A L H X S+ 0 0 4 -4,-3.0 4,-1.7 2,-0.2 3,-0.5 0.995 120.3 39.1 -66.5 -64.9 -7.6 8.3 -1.8 122 122 A L H >X S+ 0 0 48 -4,-3.2 4,-1.8 1,-0.3 3,-0.6 0.944 113.6 56.1 -54.0 -48.4 -10.4 7.6 -4.3 123 123 A K H 3X S+ 0 0 124 -4,-4.1 4,-1.9 -5,-0.3 -1,-0.3 0.891 108.1 49.4 -53.5 -36.5 -13.1 7.9 -1.7 124 124 A A H <<>S+ 0 0 3 -4,-1.3 5,-1.7 -3,-0.5 4,-0.5 0.823 102.9 61.9 -73.8 -27.2 -11.7 11.4 -1.0 125 125 A L H X<5S+ 0 0 76 -4,-1.7 3,-0.8 -3,-0.6 -2,-0.2 0.935 108.8 41.0 -63.2 -44.4 -11.7 12.2 -4.7 126 126 A C H 3<5S+ 0 0 88 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.939 104.1 65.3 -69.4 -46.1 -15.5 11.8 -4.8 127 127 A T T 3<5S- 0 0 81 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.667 111.6-121.4 -52.7 -12.6 -16.1 13.6 -1.5 128 128 A K T < 5S+ 0 0 179 -3,-0.8 -3,-0.2 -4,-0.5 -1,-0.1 0.881 75.9 121.6 74.0 38.5 -14.7 16.7 -3.3 129 129 A V >>< + 0 0 63 -5,-1.7 3,-1.7 1,-0.1 4,-0.8 -0.612 26.2 167.2-131.9 73.5 -11.8 17.4 -0.9 130 130 A P H 3> S+ 0 0 70 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.759 72.8 68.3 -60.0 -26.2 -8.6 17.2 -3.1 131 131 A E H 3> S+ 0 0 160 1,-0.2 4,-1.1 2,-0.2 5,-0.0 0.793 99.9 52.4 -67.7 -17.1 -6.5 18.8 -0.3 132 132 A L H <> S+ 0 0 62 -3,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.815 96.0 66.5 -84.8 -29.6 -7.1 15.5 1.4 133 133 A I H X S+ 0 0 3 -4,-0.8 4,-1.8 1,-0.2 5,-0.2 0.966 107.7 40.7 -54.2 -49.8 -5.9 13.4 -1.6 134 134 A R H X S+ 0 0 173 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.882 111.0 57.0 -66.8 -37.7 -2.4 14.9 -1.0 135 135 A T H X S+ 0 0 62 -4,-1.1 4,-1.2 -5,-0.2 -1,-0.2 0.884 108.7 48.4 -64.7 -31.5 -2.7 14.5 2.8 136 136 A I H >X S+ 0 0 3 -4,-2.5 3,-1.9 2,-0.2 4,-1.7 0.997 106.0 51.5 -70.2 -69.1 -3.4 10.8 2.3 137 137 A M H 3X S+ 0 0 28 -4,-1.8 4,-2.2 1,-0.3 5,-0.3 0.808 107.2 62.2 -38.3 -26.4 -0.5 9.9 -0.1 138 138 A G H 3X S+ 0 0 27 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.3 0.945 102.0 45.5 -67.5 -47.7 1.4 11.7 2.7 139 139 A W H S+ 0 0 16 -4,-1.5 4,-2.4 -3,-0.3 5,-1.3 0.873 120.8 47.5 -68.6 -35.5 4.7 4.5 6.7 144 144 A L H <5S+ 0 0 14 -4,-2.5 -2,-0.2 3,-0.2 -3,-0.2 0.985 114.8 43.3 -71.6 -55.3 6.7 3.3 3.6 145 145 A R H <5S+ 0 0 156 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 122.3 41.3 -56.4 -38.9 9.7 5.6 4.2 146 146 A E H <5S+ 0 0 145 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.902 134.8 7.6 -81.9 -42.4 9.7 4.9 8.0 147 147 A R T X5S+ 0 0 130 -4,-2.4 4,-0.6 -5,-0.2 2,-0.4 0.824 124.8 51.1-108.1 -48.1 9.0 1.1 8.1 148 148 A L T 4 S+ 0 0 27 -2,-0.4 4,-1.1 -4,-0.1 -1,-0.2 0.808 91.4 41.9-107.1 -51.5 12.5 1.0 3.7 150 150 A G H > S+ 0 0 28 -3,-0.3 4,-1.3 1,-0.2 3,-0.2 0.897 117.0 50.5 -64.1 -37.8 15.2 -1.2 5.5 151 151 A W H X S+ 0 0 126 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.878 104.5 56.4 -70.3 -35.0 13.3 -4.4 4.5 152 152 A I H 4 S+ 0 0 10 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.796 104.5 56.4 -68.1 -22.0 13.0 -3.4 0.8 153 153 A Q H >< S+ 0 0 78 -4,-1.1 3,-1.5 -3,-0.2 -1,-0.2 0.892 101.5 53.6 -75.9 -40.6 16.8 -3.1 0.8 154 154 A D H 3< S+ 0 0 138 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.921 103.9 55.5 -64.5 -38.1 17.5 -6.7 2.1 155 155 A Q T 3< S- 0 0 56 -4,-1.4 2,-1.4 1,-0.2 -1,-0.3 0.413 117.7-116.2 -73.4 8.2 15.3 -8.2 -0.7 156 156 A G < - 0 0 27 -3,-1.5 2,-0.3 3,-0.1 -1,-0.2 -0.304 69.5 -48.0 88.3 -55.2 17.6 -6.3 -3.1 157 157 A G S > S- 0 0 5 -2,-1.4 3,-2.2 -143,-0.1 4,-0.4 -0.983 84.2 -48.1 173.0-175.4 14.7 -4.2 -4.4 158 158 A W T 3> S+ 0 0 25 1,-0.3 4,-1.5 -2,-0.3 3,-0.3 0.609 111.7 89.2 -56.1 -6.2 11.1 -4.2 -5.7 159 159 A D H 3> S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.878 82.4 56.0 -62.5 -30.5 12.3 -7.0 -8.0 160 160 A G H <> S+ 0 0 19 -3,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.874 101.1 58.7 -68.4 -33.4 11.4 -9.5 -5.2 161 161 A L H > S+ 0 0 21 -4,-0.4 4,-1.1 -3,-0.3 3,-0.4 0.976 114.4 34.1 -58.8 -56.2 7.8 -8.1 -5.2 162 162 A L H < S+ 0 0 54 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.813 113.2 60.7 -72.6 -28.0 7.2 -9.0 -8.8 163 163 A S H < S+ 0 0 91 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.797 98.9 60.5 -70.3 -22.3 9.3 -12.1 -8.6 164 164 A Y H < S+ 0 0 74 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.952 105.7 46.7 -69.5 -47.7 6.9 -13.4 -5.9 165 165 A F < + 0 0 22 -4,-1.1 -3,-0.1 1,-0.2 -2,-0.1 0.721 64.8 103.0 -62.6-119.1 3.9 -13.4 -8.2 166 166 A G + 0 0 67 1,-0.2 -1,-0.2 2,-0.1 -3,-0.1 0.690 58.7 139.1 48.6 11.5 4.5 -14.9 -11.7 167 167 A T - 0 0 47 1,-0.1 -1,-0.2 2,-0.1 6,-0.1 -0.660 56.6-137.1 -86.8 144.7 2.5 -17.9 -10.1 168 168 A P S S+ 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.998 88.9 69.3 -62.6 -67.7 -0.1 -19.7 -12.3 169 169 A T + 0 0 63 1,-0.2 3,-0.4 2,-0.1 4,-0.3 -0.332 58.9 179.4 -55.5 112.4 -2.9 -20.0 -9.8 170 170 A W > + 0 0 111 -2,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.485 69.9 75.9 -94.2 -4.0 -4.1 -16.4 -9.3 171 171 A Q H > S+ 0 0 136 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.623 88.3 58.7 -82.8 -10.5 -6.8 -17.5 -6.8 172 172 A T H > S+ 0 0 61 -3,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.747 107.8 44.5 -90.4 -21.3 -4.2 -17.9 -4.0 173 173 A V H > S+ 0 0 13 -4,-0.3 4,-1.5 2,-0.2 5,-0.3 0.829 114.2 48.9 -89.1 -32.2 -2.9 -14.3 -4.2 174 174 A T H X S+ 0 0 30 -4,-1.3 4,-1.4 1,-0.2 5,-0.2 0.889 114.7 45.3 -72.9 -36.1 -6.5 -12.9 -4.3 175 175 A I H X S+ 0 0 105 -4,-1.0 4,-2.2 3,-0.2 5,-0.2 0.749 107.6 61.6 -79.4 -19.8 -7.6 -15.0 -1.4 176 176 A F H X S+ 0 0 75 -4,-0.6 4,-2.8 2,-0.2 5,-0.3 0.998 110.6 34.4 -67.3 -67.4 -4.4 -14.1 0.5 177 177 A V H X S+ 0 0 20 -4,-1.5 4,-4.0 1,-0.2 5,-0.4 0.915 121.9 49.8 -56.1 -41.9 -4.9 -10.3 0.8 178 178 A A H X S+ 0 0 20 -4,-1.4 4,-2.6 -5,-0.3 5,-0.3 0.965 112.7 45.5 -63.7 -49.1 -8.7 -10.8 1.1 179 179 A G H X S+ 0 0 48 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.894 123.2 37.4 -61.7 -37.0 -8.3 -13.4 3.9 180 180 A V H X S+ 0 0 51 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.920 118.4 46.9 -81.0 -46.5 -5.8 -11.2 5.6 181 181 A L H X S+ 0 0 15 -4,-4.0 4,-1.4 -5,-0.3 -3,-0.2 0.928 113.0 50.4 -62.1 -42.9 -7.3 -7.8 4.9 182 182 A T H X S+ 0 0 33 -4,-2.6 4,-2.9 -5,-0.4 -1,-0.2 0.887 101.0 63.9 -64.1 -37.2 -10.8 -9.0 5.9 183 183 A A H X S+ 0 0 48 -4,-0.9 4,-2.0 -5,-0.3 5,-0.3 0.958 101.3 50.0 -52.8 -50.8 -9.4 -10.4 9.2 184 184 A S H X S+ 0 0 3 -4,-1.5 4,-2.6 1,-0.3 -1,-0.2 0.920 114.1 45.2 -55.2 -42.0 -8.5 -6.8 10.3 185 185 A L H X S+ 0 0 12 -4,-1.4 4,-0.5 1,-0.2 -1,-0.3 0.837 106.2 62.3 -70.9 -30.9 -12.0 -5.7 9.4 186 186 A T H < S+ 0 0 64 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.931 117.5 26.3 -61.7 -45.1 -13.4 -8.8 11.2 187 187 A I H >< S+ 0 0 84 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.882 102.3 79.8 -85.4 -44.1 -12.0 -7.8 14.6 188 188 A W H 3< S+ 0 0 77 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.1 0.702 71.5 94.3 -39.8 -16.7 -11.9 -4.0 14.0 189 189 A K T 3< S- 0 0 128 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.942 114.2 -69.2 -42.0 -72.4 -15.6 -4.2 14.8 190 190 A K S < S- 0 0 169 -3,-0.9 -1,-0.1 1,-0.0 -3,-0.1 0.332 72.7 -76.4-153.8 -54.7 -15.2 -3.4 18.6 191 191 A M 0 0 164 -4,-0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.177 360.0 360.0 178.5 -72.5 -13.4 -6.2 20.6 192 192 A G 0 0 130 -3,-0.1 -5,-0.0 0, 0.0 0, 0.0 0.066 360.0 360.0 66.3 360.0 -15.5 -9.3 21.5