==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-APR-09 3GWP . COMPND 2 MOLECULE: CARBON-SULFUR LYASE INVOLVED IN ALUMINUM RESISTAN . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM NOVYI NT; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1696 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1160 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 94 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 174 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 571 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.7 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 3 1 0 4 0 1 3 5 4 12 4 3 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 0 4 8 4 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 . 8 4 8 7 5 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 1 3 0 4 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 0 A G 0 0 86 0, 0.0 2,-0.1 0, 0.0 464,-0.1 0.000 360.0 360.0 360.0-178.5 -7.7 -31.7 -9.4 2 1 A X - 0 0 17 1,-0.1 2,-0.1 2,-0.1 464,-0.1 -0.377 360.0-123.5 -66.0 135.1 -7.2 -31.5 -13.2 3 2 A L > - 0 0 55 462,-0.3 4,-2.1 -2,-0.1 5,-0.2 -0.363 16.7-117.0 -76.6 156.1 -10.1 -32.8 -15.3 4 3 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.852 117.7 53.0 -59.8 -36.8 -9.7 -35.6 -18.0 5 4 A S H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 107.0 51.8 -63.1 -47.4 -10.7 -33.1 -20.7 6 5 A T H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.926 115.4 40.0 -55.6 -51.9 -8.0 -30.6 -19.5 7 6 A K H X S+ 0 0 65 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.814 113.4 54.4 -71.0 -28.9 -5.2 -33.2 -19.6 8 7 A Q H < S+ 0 0 137 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.836 110.6 47.9 -70.4 -30.8 -6.6 -34.7 -22.9 9 8 A F H >< S+ 0 0 45 -4,-2.3 3,-1.8 1,-0.2 4,-0.4 0.920 107.2 55.3 -72.1 -45.7 -6.4 -31.2 -24.3 10 9 A L H ><>S+ 0 0 5 -4,-2.4 5,-1.4 1,-0.3 3,-1.1 0.761 95.8 67.0 -58.2 -28.3 -2.8 -30.8 -23.0 11 10 A K G ><5S+ 0 0 90 -4,-1.2 3,-1.3 1,-0.3 -1,-0.3 0.737 89.5 64.4 -65.6 -22.9 -1.8 -33.9 -24.9 12 11 A K G < 5S+ 0 0 85 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.753 99.7 53.8 -68.1 -24.8 -2.5 -32.0 -28.2 13 12 A Y G < 5S- 0 0 37 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.131 125.2-105.6 -93.1 17.2 0.5 -29.8 -27.0 14 13 A N T < 5 + 0 0 129 -3,-1.3 2,-0.7 1,-0.2 -3,-0.2 0.790 62.7 163.0 63.9 32.6 2.7 -32.9 -26.7 15 14 A I < - 0 0 3 -5,-1.4 -1,-0.2 -8,-0.1 403,-0.1 -0.746 25.1-149.4 -87.7 112.1 2.5 -32.8 -22.9 16 15 A N > - 0 0 29 -2,-0.7 4,-2.4 408,-0.2 5,-0.2 -0.288 23.4-109.7 -80.2 165.1 3.7 -36.3 -21.5 17 16 A D H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.791 116.1 57.4 -62.7 -34.1 2.6 -38.2 -18.4 18 17 A R H > S+ 0 0 34 407,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.961 111.6 40.6 -62.3 -51.3 6.1 -37.7 -16.8 19 18 A V H > S+ 0 0 0 405,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.898 117.0 49.4 -62.5 -44.2 5.8 -33.9 -17.0 20 19 A L H X S+ 0 0 16 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.849 113.4 45.7 -66.1 -36.2 2.1 -33.9 -16.0 21 20 A K H X S+ 0 0 80 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.835 111.5 53.1 -72.7 -34.8 2.9 -36.2 -13.0 22 21 A L H X S+ 0 0 40 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.848 107.8 52.1 -67.9 -35.4 5.8 -33.9 -12.1 23 22 A Y H X S+ 0 0 8 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.908 104.5 55.3 -64.3 -47.2 3.4 -30.9 -12.2 24 23 A E H X S+ 0 0 83 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.870 110.7 45.5 -54.6 -42.3 0.9 -32.6 -9.8 25 24 A T H X S+ 0 0 64 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.940 114.1 47.8 -66.9 -48.8 3.7 -33.1 -7.2 26 25 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.892 111.1 51.3 -58.6 -42.1 5.0 -29.5 -7.7 27 26 A X H < S+ 0 0 42 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.847 110.0 50.4 -65.2 -36.7 1.5 -28.1 -7.4 28 27 A N H >< S+ 0 0 119 -4,-1.5 3,-0.9 -5,-0.2 4,-0.3 0.907 110.5 48.8 -67.0 -44.2 0.9 -30.1 -4.1 29 28 A D H 3< S+ 0 0 53 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.891 108.2 51.7 -66.7 -42.0 4.2 -28.9 -2.5 30 29 A I T 3X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.363 79.5 102.4 -80.4 7.1 3.7 -25.1 -3.2 31 30 A Q H <> S+ 0 0 46 -3,-0.9 4,-1.4 1,-0.2 3,-0.3 0.943 81.8 45.8 -54.5 -54.8 0.1 -25.0 -1.7 32 31 A N H > S+ 0 0 131 -3,-0.5 4,-1.2 -4,-0.3 -1,-0.2 0.829 110.0 54.7 -59.9 -35.6 1.2 -23.3 1.6 33 32 A Q H > S+ 0 0 46 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.895 105.3 53.3 -66.1 -40.5 3.4 -20.8 -0.2 34 33 A F H X S+ 0 0 21 -4,-1.9 4,-1.9 -3,-0.3 -1,-0.2 0.828 104.8 55.3 -62.1 -35.8 0.4 -19.7 -2.4 35 34 A K H X S+ 0 0 84 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.831 104.0 54.1 -66.4 -33.7 -1.7 -19.1 0.8 36 35 A I H < S+ 0 0 38 -4,-1.2 4,-0.4 -3,-0.2 -1,-0.2 0.824 110.2 47.6 -68.1 -33.2 1.1 -16.7 2.1 37 36 A L H X S+ 0 0 10 -4,-1.3 4,-2.4 2,-0.2 3,-0.4 0.842 106.6 57.6 -73.5 -37.7 0.7 -14.8 -1.2 38 37 A D H X S+ 0 0 50 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.838 106.3 47.3 -63.4 -37.7 -3.1 -14.6 -1.0 39 38 A D H X S+ 0 0 25 -4,-1.4 4,-0.7 2,-0.2 390,-0.5 0.628 113.7 48.8 -81.8 -12.1 -3.1 -12.9 2.4 40 39 A I H > S+ 0 0 34 -4,-0.4 4,-1.7 -3,-0.4 -2,-0.2 0.822 110.6 50.5 -86.2 -41.9 -0.5 -10.3 1.2 41 40 A R H X S+ 0 0 22 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.859 104.2 60.0 -59.1 -41.8 -2.5 -9.6 -2.0 42 41 A E H X S+ 0 0 8 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.919 106.8 45.3 -53.2 -50.7 -5.7 -9.1 0.1 43 42 A F H X S+ 0 0 28 -4,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.876 112.2 52.0 -61.8 -43.1 -4.0 -6.2 2.0 44 43 A N H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.842 107.6 50.9 -65.1 -36.2 -2.7 -4.7 -1.3 45 44 A Q H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.901 113.8 45.9 -66.3 -41.1 -6.1 -4.7 -2.9 46 45 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.843 111.0 53.1 -67.3 -38.6 -7.5 -3.0 0.2 47 46 A K H X S+ 0 0 14 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.941 115.6 39.4 -61.8 -48.9 -4.6 -0.5 0.2 48 47 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.942 113.4 54.1 -67.5 -49.0 -5.2 0.4 -3.5 49 48 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.885 109.7 49.4 -51.6 -43.9 -9.0 0.4 -3.1 50 49 A N H X S+ 0 0 34 -4,-2.2 4,-3.7 2,-0.2 5,-0.3 0.911 104.9 57.6 -62.3 -44.9 -8.7 2.9 -0.2 51 50 A A H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.895 108.5 46.4 -53.3 -47.1 -6.4 5.2 -2.3 52 51 A F H <>S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 4,-0.4 0.936 116.1 45.7 -59.1 -48.2 -9.1 5.5 -5.0 53 52 A Q H ><5S+ 0 0 21 -4,-1.9 3,-0.9 -5,-0.2 -2,-0.2 0.891 111.2 50.8 -65.7 -42.2 -11.7 6.2 -2.3 54 53 A E H 3<5S+ 0 0 105 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.905 112.2 48.2 -62.3 -42.1 -9.6 8.6 -0.3 55 54 A E T 3<5S- 0 0 52 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.491 110.3-128.2 -76.6 -6.2 -8.9 10.6 -3.5 56 55 A R T < 5 - 0 0 160 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.876 35.2-166.1 63.0 44.2 -12.6 10.5 -4.3 57 56 A I < + 0 0 0 -5,-2.1 728,-2.2 726,-0.3 729,-0.6 -0.286 14.3 164.0 -65.8 146.1 -12.1 9.1 -7.9 58 57 A S > - 0 0 10 726,-0.3 3,-1.5 727,-0.1 4,-0.2 -0.835 55.4 -79.1-151.0 178.3 -15.0 9.1 -10.3 59 58 A E G > S+ 0 0 116 1,-0.2 3,-1.0 -2,-0.2 752,-0.1 0.742 122.3 65.4 -58.3 -24.9 -16.1 8.8 -14.0 60 59 A A G 3 S+ 0 0 50 1,-0.2 -1,-0.2 13,-0.0 14,-0.2 0.684 88.9 67.1 -72.3 -19.4 -14.9 12.5 -14.4 61 60 A H G < S+ 0 0 20 -3,-1.5 2,-1.3 1,-0.2 -1,-0.2 0.497 76.3 86.0 -80.4 -4.9 -11.3 11.4 -13.7 62 61 A F S < S+ 0 0 21 -3,-1.0 1277,-0.3 -4,-0.2 -1,-0.2 -0.530 73.6 175.3 -92.9 67.2 -11.2 9.4 -17.0 63 62 A T - 0 0 26 -2,-1.3 224,-0.5 1275,-0.1 2,-0.3 -0.234 36.9-152.6 -77.4 160.7 -10.2 12.5 -18.9 64 63 A N + 0 0 37 1273,-0.2 1273,-0.1 220,-0.1 -1,-0.1 -0.736 31.8 176.9-131.6 75.1 -9.2 12.9 -22.5 65 64 A S - 0 0 19 -2,-0.3 2,-0.3 4,-0.1 219,-0.2 -0.235 7.1-169.6 -77.5 170.4 -7.0 16.0 -22.4 66 65 A S > + 0 0 10 4,-0.1 3,-0.6 217,-0.1 1039,-0.2 -0.943 46.7 8.3-154.1 169.3 -5.0 17.6 -25.3 67 66 A G T 3 S- 0 0 0 1037,-3.7 215,-0.5 -2,-0.3 1039,-0.3 -0.326 131.4 -11.2 58.5-124.0 -2.4 20.2 -26.1 68 67 A Y T 3 S- 0 0 25 1165,-1.1 213,-3.6 213,-0.1 -1,-0.2 0.962 85.5-145.8 -68.8 -52.6 -0.7 21.4 -22.9 69 68 A G X - 0 0 0 -3,-0.6 3,-1.0 211,-0.2 -2,-0.1 0.832 23.6-178.7 88.2 38.7 -3.4 19.8 -20.7 70 69 A Y T 3 + 0 0 101 1,-0.2 -1,-0.2 -4,-0.2 3,-0.1 -0.397 68.5 18.9 -67.0 145.0 -3.6 22.3 -17.9 71 70 A G T 3 S+ 0 0 62 1,-0.2 2,-1.7 208,-0.2 -1,-0.2 0.739 75.6 165.6 66.2 25.3 -6.1 21.3 -15.1 72 71 A D X> - 0 0 7 -3,-1.0 4,-1.8 1,-0.2 3,-0.6 -0.581 14.1-174.2 -75.4 88.7 -6.1 17.6 -16.2 73 72 A I H 3> S+ 0 0 82 -2,-1.7 4,-2.8 1,-0.2 5,-0.2 0.803 78.5 58.4 -55.4 -34.9 -7.8 16.3 -13.0 74 73 A G H 3> S+ 0 0 0 -14,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.876 108.1 45.2 -63.7 -40.9 -7.3 12.7 -14.1 75 74 A R H <> S+ 0 0 11 -3,-0.6 4,-1.4 2,-0.2 18,-0.3 0.856 116.6 45.4 -70.0 -38.4 -3.6 13.0 -14.3 76 75 A D H X S+ 0 0 71 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.886 113.6 47.5 -75.1 -42.1 -3.3 14.9 -11.0 77 76 A S H X S+ 0 0 16 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.766 107.3 58.4 -70.6 -27.0 -5.6 12.5 -9.1 78 77 A L H X S+ 0 0 2 -4,-1.2 4,-2.3 -5,-0.2 -1,-0.2 0.929 108.0 45.9 -65.8 -44.3 -3.7 9.5 -10.5 79 78 A D H X S+ 0 0 18 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.929 112.6 50.4 -61.2 -47.2 -0.4 10.9 -9.0 80 79 A A H X S+ 0 0 26 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.823 108.9 52.0 -61.2 -34.5 -2.3 11.5 -5.7 81 80 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.940 110.8 47.0 -67.4 -47.5 -3.6 7.9 -5.7 82 81 A Y H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.894 109.1 55.6 -58.2 -42.4 -0.1 6.5 -6.3 83 82 A A H <>S+ 0 0 8 -4,-2.6 5,-2.6 1,-0.2 4,-0.3 0.896 109.4 46.2 -57.6 -43.3 1.2 8.8 -3.5 84 83 A R H <5S+ 0 0 108 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.818 111.7 51.9 -68.7 -34.1 -1.4 7.3 -1.1 85 84 A V H <5S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.969 120.3 33.3 -65.2 -51.6 -0.5 3.8 -2.2 86 85 A F T <5S- 0 0 0 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.346 107.8-125.1 -86.8 6.1 3.2 4.3 -1.6 87 86 A N T 5 + 0 0 106 -4,-0.3 2,-0.3 -5,-0.2 -3,-0.2 0.906 62.8 140.4 49.9 47.8 2.6 6.7 1.4 88 87 A T < - 0 0 24 -5,-2.6 -1,-0.2 -6,-0.1 172,-0.1 -0.763 63.1-119.8-116.7 164.2 4.7 9.4 -0.1 89 88 A E S S+ 0 0 139 -2,-0.3 2,-0.2 1,-0.1 171,-0.2 0.963 91.2 5.0 -65.4 -54.2 4.3 13.2 -0.3 90 89 A S E -A 259 0A 30 169,-2.5 169,-1.9 -7,-0.1 2,-0.3 -0.697 62.2-163.8-127.8 174.1 4.2 13.5 -4.1 91 90 A A E -A 258 0A 5 -2,-0.2 2,-0.3 167,-0.2 167,-0.2 -0.979 12.0-154.7-156.9 159.7 4.1 11.3 -7.2 92 91 A L + 0 0 4 165,-2.9 2,-0.6 -2,-0.3 165,-0.4 -0.754 19.4 169.3-144.6 89.8 4.7 11.5 -11.0 93 92 A V + 0 0 1 -18,-0.3 163,-0.2 -2,-0.3 -14,-0.1 -0.924 15.9 162.6-107.5 108.8 2.9 8.8 -13.0 94 93 A R B > -B 255 0A 8 161,-2.0 161,-2.1 -2,-0.6 3,-0.7 -0.959 46.1-146.5-129.6 146.1 3.0 9.6 -16.8 95 94 A P T 3 S+ 0 0 0 0, 0.0 159,-0.3 0, 0.0 -1,-0.1 0.704 93.6 81.8 -77.3 -16.1 2.5 7.7 -20.0 96 95 A H T 3 + 0 0 6 157,-0.1 2,-0.5 159,-0.1 158,-0.1 0.642 64.7 99.2 -61.5 -24.0 5.3 10.0 -21.5 97 96 A F < - 0 0 0 -3,-0.7 157,-0.8 158,-0.2 1036,-0.1 -0.615 67.2-152.1 -68.5 119.4 8.0 7.8 -20.0 98 97 A V - 0 0 4 -2,-0.5 1035,-0.3 1,-0.1 2,-0.3 0.875 69.2 -29.5 -60.9 -37.4 9.2 5.6 -22.8 99 98 A N S > S- 0 0 2 1033,-0.1 4,-1.2 154,-0.1 -1,-0.1 -0.923 73.6 -77.3-163.5-177.5 10.2 2.8 -20.3 100 99 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.832 123.8 57.8 -61.7 -36.1 11.4 2.0 -16.7 101 100 A T H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.902 104.4 51.4 -61.7 -41.5 15.0 3.0 -17.6 102 101 A H H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.809 108.7 51.9 -65.8 -31.0 13.7 6.5 -18.6 103 102 A A H X S+ 0 0 0 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.934 113.2 44.0 -69.0 -46.3 11.9 6.8 -15.2 104 103 A L H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.921 113.3 51.1 -63.5 -46.4 15.1 5.8 -13.4 105 104 A G H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.889 107.1 53.5 -58.9 -41.8 17.3 8.2 -15.5 106 105 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.863 107.9 51.2 -61.2 -38.8 14.9 11.1 -14.9 107 106 A A H X S+ 0 0 2 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.880 113.3 44.6 -65.9 -40.1 15.2 10.5 -11.1 108 107 A L H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.955 117.1 41.4 -72.2 -54.7 19.1 10.5 -11.3 109 108 A F H < S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.845 115.4 55.5 -59.8 -34.2 19.6 13.6 -13.6 110 109 A G H < S+ 0 0 2 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.867 117.1 30.6 -67.5 -38.9 16.8 15.3 -11.7 111 110 A N H < S+ 0 0 7 -4,-1.6 2,-0.4 -3,-0.2 -2,-0.2 0.551 107.9 74.9-100.6 -10.3 18.4 15.0 -8.2 112 111 A L < - 0 0 0 -4,-1.8 37,-0.1 -5,-0.1 6,-0.0 -0.862 56.8-173.2-107.9 140.9 22.2 15.0 -9.0 113 112 A R > - 0 0 21 -2,-0.4 3,-2.1 35,-0.1 888,-0.1 -0.778 44.0 -66.7-123.6 165.2 24.2 18.2 -10.0 114 113 A P T 3 S+ 0 0 48 0, 0.0 35,-0.2 0, 0.0 34,-0.2 -0.326 123.6 26.4 -55.1 131.7 27.8 18.7 -11.2 115 114 A G T 3 S+ 0 0 41 33,-3.4 2,-0.1 1,-0.4 34,-0.1 0.018 94.9 116.9 102.7 -25.9 30.2 17.8 -8.3 116 115 A N < - 0 0 42 -3,-2.1 34,-2.2 61,-0.1 -1,-0.4 -0.463 55.8-139.3 -75.9 148.9 27.8 15.4 -6.6 117 116 A T E -cd 150 177A 2 59,-2.3 61,-1.6 32,-0.2 62,-1.1 -0.834 7.7-148.2-110.5 146.0 28.7 11.7 -6.3 118 117 A X E -cd 151 179A 0 32,-1.4 34,-2.0 -2,-0.3 2,-0.4 -0.861 9.2-160.3-110.9 148.1 26.3 8.7 -6.7 119 118 A L E -cd 152 180A 0 60,-1.4 62,-2.4 -2,-0.3 2,-0.6 -0.970 8.4-161.0-137.5 120.1 26.5 5.4 -4.8 120 119 A S E -cd 153 181A 1 32,-1.6 34,-2.7 -2,-0.4 3,-0.5 -0.887 6.0-176.1 -97.6 118.6 25.0 2.0 -5.8 121 120 A V S S+ 0 0 0 60,-2.0 42,-0.4 -2,-0.6 61,-0.1 0.515 77.1 64.4 -92.2 -6.4 24.9 -0.3 -2.7 122 121 A C S S- 0 0 25 1,-0.4 33,-0.2 59,-0.4 -1,-0.2 -0.043 108.8-114.1-104.4 30.4 23.5 -3.4 -4.6 123 122 A G S S+ 0 0 5 31,-1.7 -1,-0.4 -3,-0.5 31,-0.2 -0.446 78.3 8.4 76.4-149.5 26.6 -3.7 -6.8 124 123 A E S S- 0 0 131 -2,-0.1 3,-0.2 -3,-0.1 29,-0.0 -0.532 84.6-130.0 -69.5 123.7 26.7 -3.2 -10.5 125 124 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.009 44.7 -50.0 -72.0 179.0 23.3 -1.8 -11.6 126 125 A Y > - 0 0 27 1,-0.1 3,-4.1 3,-0.1 4,-0.4 -0.314 61.3-117.6 -52.9 108.2 20.8 -2.9 -14.4 127 126 A D T > S+ 0 0 84 1,-0.3 3,-1.1 -2,-0.3 4,-0.4 0.597 112.0 51.4 -17.1 -48.6 23.0 -3.2 -17.6 128 127 A T T 3> S+ 0 0 52 1,-0.2 4,-0.6 2,-0.1 3,-0.3 0.689 97.8 68.3 -73.7 -17.1 21.1 -0.4 -19.6 129 128 A L H <> S+ 0 0 0 -3,-4.1 4,-1.9 1,-0.2 -1,-0.2 0.572 82.5 77.8 -76.4 -10.8 21.6 2.0 -16.7 130 129 A H H <>>S+ 0 0 26 -3,-1.1 4,-3.8 -4,-0.4 5,-1.4 0.929 92.6 46.6 -64.7 -48.6 25.4 2.1 -17.3 131 130 A D H 45S+ 0 0 69 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.809 110.6 54.9 -64.5 -32.0 25.2 4.5 -20.4 132 131 A V H <5S+ 0 0 0 -4,-0.6 12,-2.1 1,-0.1 -1,-0.2 0.950 118.6 32.9 -64.7 -49.4 22.9 6.8 -18.4 133 132 A I H <5S- 0 0 2 -4,-1.9 12,-2.1 10,-0.2 -2,-0.2 0.897 105.5-130.0 -73.6 -42.0 25.4 7.0 -15.5 134 133 A G T <5 + 0 0 1 -4,-3.8 -3,-0.2 -5,-0.2 -4,-0.1 0.852 49.5 154.2 89.5 46.5 28.5 6.8 -17.8 135 134 A I S - 0 0 63 -2,-0.3 2,-3.8 1,-0.1 3,-0.6 -0.571 61.0 -88.6 -74.7 152.6 30.3 8.5 -26.1 140 139 A N T 3 S+ 0 0 100 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.183 93.2 119.7 -66.3 60.5 29.2 12.2 -26.2 141 140 A X T 3 S- 0 0 61 -2,-3.8 -1,-0.2 -10,-0.1 980,-0.1 0.649 87.1-100.6 -95.7 -22.5 25.6 11.3 -25.4 142 141 A G < + 0 0 4 -3,-0.6 -2,-0.1 984,-0.1 5,-0.0 0.856 53.1 179.1 100.8 52.6 25.4 13.3 -22.1 143 142 A S > - 0 0 3 -4,-0.3 4,-0.9 982,-0.1 -10,-0.2 -0.255 45.6 -98.9 -76.6 169.5 25.8 10.8 -19.3 144 143 A L T >4>S+ 0 0 0 -12,-2.1 5,-2.9 1,-0.2 3,-1.1 0.912 127.0 51.0 -56.7 -44.0 25.8 11.8 -15.6 145 144 A K G >45S+ 0 0 76 -12,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.899 105.1 57.5 -60.8 -38.5 29.7 11.7 -15.6 146 145 A E G 345S+ 0 0 41 1,-0.3 -1,-0.3 -13,-0.2 -2,-0.2 0.660 105.5 50.6 -67.9 -17.2 29.6 14.0 -18.7 147 146 A F G <<5S- 0 0 10 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 -0.060 130.2 -95.9-105.9 29.5 27.6 16.5 -16.7 148 147 A G T < 5S+ 0 0 30 -3,-1.7 -33,-3.4 1,-0.2 2,-0.7 0.610 82.0 137.4 69.2 15.6 30.1 16.4 -13.8 149 148 A I < - 0 0 1 -5,-2.9 -1,-0.2 -35,-0.2 -32,-0.2 -0.844 42.5-146.7 -98.1 116.7 28.1 13.8 -11.7 150 149 A N E -c 117 0A 77 -34,-2.2 -32,-1.4 -2,-0.7 2,-0.3 -0.263 6.7-149.5 -80.5 164.4 30.4 11.2 -10.2 151 150 A Y E +c 118 0A 48 -34,-0.2 2,-0.3 -17,-0.1 -32,-0.2 -0.994 15.3 173.1-137.4 140.9 29.7 7.5 -9.5 152 151 A K E -c 119 0A 84 -34,-2.0 -32,-1.6 -2,-0.3 2,-0.3 -0.914 14.6-148.9-138.7 164.8 30.9 4.9 -6.9 153 152 A Q E -c 120 0A 69 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.999 14.1-171.4-145.7 143.2 29.9 1.3 -6.1 154 153 A V - 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