==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-JUN-10 3NNB . COMPND 2 MOLECULE: ALGINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES OVATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 380 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 42.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 3 0 0 1 2 1 1 0 0 0 1 2 2 0 0 0 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 . 2 1 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 . 2 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 21 A V 0 0 131 0, 0.0 9,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 126.2 46.1 -20.3 -5.7 2 22 A A - 0 0 25 7,-0.4 2,-1.8 1,-0.1 7,-0.1 -0.406 360.0-109.9 -83.0 157.1 47.6 -16.9 -6.7 3 23 A N + 0 0 98 174,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.363 59.3 156.7 -82.3 60.6 50.7 -15.3 -5.1 4 24 A T - 0 0 2 -2,-1.8 5,-0.4 1,-0.1 167,-0.1 -0.624 26.4-173.7 -87.1 150.0 48.8 -12.5 -3.4 5 25 A R S S+ 0 0 37 -2,-0.2 287,-0.2 165,-0.2 286,-0.1 0.780 84.3 32.0-111.3 -42.4 50.2 -10.8 -0.3 6 26 A I S S+ 0 0 5 164,-0.3 2,-0.2 282,-0.1 165,-0.1 0.886 115.7 61.7 -82.6 -47.8 47.4 -8.4 1.0 7 27 A Y S S- 0 0 2 164,-0.1 2,-0.8 1,-0.1 370,-0.1 -0.595 96.7-113.7 -78.1 141.4 44.6 -10.7 -0.2 8 28 A A > - 0 0 36 368,-0.5 4,-2.3 -2,-0.2 5,-0.2 -0.713 31.5-155.6 -75.3 106.4 44.4 -14.2 1.4 9 29 A A H > S+ 0 0 19 -2,-0.8 4,-2.2 -5,-0.4 -7,-0.4 0.854 84.0 47.3 -62.2 -46.2 45.2 -16.3 -1.7 10 30 A E H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 113.5 49.0 -65.9 -42.3 43.6 -19.6 -0.7 11 31 A K H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.933 111.2 50.2 -54.1 -48.8 40.3 -18.0 0.5 12 32 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.903 107.4 53.8 -62.0 -40.6 40.1 -15.9 -2.7 13 33 A A H X S+ 0 0 18 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.862 109.8 48.4 -61.8 -36.9 40.6 -19.0 -4.9 14 34 A K H X S+ 0 0 92 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.889 109.3 51.2 -72.2 -38.3 37.7 -20.7 -3.1 15 35 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 6,-0.2 0.909 109.9 52.0 -62.0 -40.0 35.5 -17.6 -3.5 16 36 A K H >< S+ 0 0 83 -4,-2.4 3,-1.6 1,-0.2 4,-0.2 0.927 108.5 49.2 -61.6 -45.8 36.4 -17.7 -7.2 17 37 A E H 3< S+ 0 0 166 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.889 118.5 41.2 -57.8 -39.4 35.4 -21.4 -7.5 18 38 A K T >< S+ 0 0 87 -4,-2.0 3,-2.2 1,-0.2 6,-0.4 0.111 78.0 123.7 -97.0 22.4 32.1 -20.6 -5.7 19 39 A A T < S+ 0 0 8 -3,-1.6 9,-0.3 1,-0.3 -1,-0.2 0.826 77.2 46.2 -55.5 -36.8 31.5 -17.2 -7.7 20 40 A D T 3 S+ 0 0 151 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.403 89.4 110.4 -89.4 1.6 28.1 -18.4 -8.9 21 41 A S S X> S- 0 0 28 -3,-2.2 4,-2.9 -6,-0.2 3,-0.7 -0.284 84.0-108.4 -70.0 160.8 27.0 -19.7 -5.4 22 42 A P T 34 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.836 117.9 59.2 -64.2 -26.7 24.2 -17.8 -3.6 23 43 A L T 34 S+ 0 0 112 1,-0.2 4,-0.2 2,-0.1 -4,-0.1 0.852 122.1 19.3 -66.7 -34.9 26.7 -16.5 -1.1 24 44 A Y T <> S+ 0 0 8 -3,-0.7 4,-2.6 -6,-0.4 3,-0.3 0.626 97.6 88.5-113.3 -21.6 28.9 -14.7 -3.7 25 45 A A H X S+ 0 0 37 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.870 88.1 52.0 -54.9 -42.6 26.9 -14.2 -6.8 26 46 A P H > S+ 0 0 51 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.922 113.8 44.6 -58.5 -43.2 25.4 -10.8 -5.8 27 47 A A H > S+ 0 0 0 342,-0.4 4,-2.4 -3,-0.3 -2,-0.2 0.864 112.2 51.4 -69.7 -38.5 28.9 -9.4 -5.0 28 48 A V H X S+ 0 0 13 -4,-2.6 4,-2.7 -9,-0.3 5,-0.2 0.937 109.3 51.7 -64.6 -41.0 30.4 -10.9 -8.2 29 49 A K H X S+ 0 0 137 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.929 111.0 46.4 -61.0 -45.6 27.6 -9.3 -10.3 30 50 A T H X S+ 0 0 35 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.896 110.7 54.3 -63.0 -38.9 28.2 -5.9 -8.6 31 51 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.935 108.5 47.6 -60.8 -47.0 32.0 -6.3 -9.2 32 52 A L H X S+ 0 0 45 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.869 110.8 52.3 -66.0 -33.2 31.4 -6.9 -13.0 33 53 A R H X S+ 0 0 85 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.906 109.0 49.4 -62.6 -44.0 29.2 -3.9 -13.1 34 54 A D H X S+ 0 0 49 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.896 111.8 49.6 -60.6 -41.2 31.9 -1.8 -11.5 35 55 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.910 107.3 53.8 -66.0 -40.8 34.4 -3.2 -14.1 36 56 A D H X S+ 0 0 53 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.889 108.8 49.9 -60.6 -35.1 31.9 -2.3 -16.9 37 57 A K H >< S+ 0 0 135 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.917 107.2 54.1 -68.4 -38.4 31.9 1.2 -15.5 38 58 A A H >< S+ 0 0 4 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.812 98.4 64.2 -64.2 -31.6 35.7 1.2 -15.5 39 59 A L H 3< S+ 0 0 48 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.782 100.6 52.6 -60.1 -28.9 35.7 0.2 -19.2 40 60 A K T << S+ 0 0 162 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.3 0.559 89.4 101.5 -79.4 -15.8 34.0 3.6 -19.9 41 61 A X S < S- 0 0 64 -3,-1.2 -3,-0.0 -4,-0.4 -4,-0.0 -0.576 71.7-131.5 -79.5 134.4 36.7 5.6 -18.1 42 62 A T - 0 0 126 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.730 36.5-110.3 -77.7 125.0 39.4 7.4 -20.0 43 63 A P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.390 37.5-146.9 -58.9 124.9 42.8 6.5 -18.3 44 64 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 94,-0.0 -0.303 15.6-169.3 -81.4 178.3 44.1 9.6 -16.5 45 65 A S > - 0 0 4 -2,-0.1 3,-1.8 94,-0.1 4,-0.3 -0.972 42.9 -95.8-157.1 168.4 47.7 10.6 -16.0 46 66 A V T 3 S+ 0 0 0 92,-0.6 3,-0.4 -2,-0.3 93,-0.1 0.584 116.0 72.1 -64.8 -9.0 50.0 13.0 -14.1 47 67 A X T 3 S+ 0 0 65 91,-0.3 -1,-0.3 1,-0.2 12,-0.1 0.593 81.0 73.7 -78.7 -8.8 49.8 15.1 -17.3 48 68 A D S < S+ 0 0 81 -3,-1.8 -1,-0.2 90,-0.1 -2,-0.2 0.792 72.6 94.6 -80.1 -27.5 46.2 16.1 -16.6 49 69 A K S S- 0 0 9 -3,-0.4 45,-0.1 -4,-0.3 44,-0.1 -0.240 70.4-140.5 -60.1 151.3 46.9 18.5 -13.8 50 70 A T S S+ 0 0 121 43,-0.8 -1,-0.1 2,-0.0 2,-0.1 0.892 81.6 65.7 -82.0 -32.1 47.2 22.2 -14.7 51 71 A X S S- 0 0 105 42,-0.4 2,-0.4 11,-0.1 11,-0.1 -0.386 70.5-146.8 -86.8 162.3 50.1 22.9 -12.4 52 72 A T - 0 0 47 -2,-0.1 6,-0.1 9,-0.0 9,-0.1 -0.977 24.0-109.6-125.1 141.3 53.6 21.5 -12.5 53 73 A A > - 0 0 4 4,-0.4 3,-2.7 -2,-0.4 4,-0.1 -0.172 40.8 -95.4 -60.5 165.9 55.8 20.7 -9.5 54 74 A D T 3 S+ 0 0 123 102,-0.5 -1,-0.1 1,-0.3 103,-0.1 0.434 120.4 73.9 -71.0 1.7 58.9 22.9 -8.8 55 75 A S T 3 S- 0 0 50 2,-0.2 -1,-0.3 5,-0.1 3,-0.1 0.626 103.6-130.2 -75.2 -18.5 61.0 20.4 -10.6 56 76 A G S < S+ 0 0 64 -3,-2.7 2,-0.6 1,-0.2 -2,-0.1 0.464 73.1 117.3 77.7 5.7 59.5 21.8 -13.8 57 77 A D > - 0 0 63 1,-0.1 3,-1.9 -4,-0.1 -4,-0.4 -0.927 53.2-160.6-111.8 113.2 58.6 18.2 -14.9 58 78 A K T 3 S+ 0 0 45 -2,-0.6 -9,-0.1 1,-0.3 -1,-0.1 0.719 89.1 71.4 -62.5 -23.2 54.9 17.5 -15.3 59 79 A H T 3 S+ 0 0 36 81,-0.1 82,-2.7 -12,-0.1 2,-0.5 0.614 78.1 96.6 -72.8 -12.5 55.8 13.8 -15.1 60 80 A D S < S- 0 0 12 -3,-1.9 -7,-0.4 80,-0.2 84,-0.1 -0.707 85.7-115.9 -75.7 127.1 56.6 14.3 -11.4 61 81 A Y - 0 0 0 -2,-0.5 85,-0.5 82,-0.5 2,-0.4 -0.350 37.2-175.0 -57.2 135.0 53.7 13.4 -9.1 62 82 A X E +a 146 0A 17 -4,-0.1 33,-2.7 83,-0.1 34,-0.3 -0.991 10.3 159.8-138.9 129.8 52.3 16.4 -7.3 63 83 A S E - 0 0 0 83,-1.7 86,-2.3 -2,-0.4 2,-0.4 -0.893 31.3-120.3-138.5 171.8 49.6 16.5 -4.6 64 84 A X E -a 149 0A 12 -2,-0.3 86,-0.2 84,-0.3 84,-0.1 -0.908 36.6 -99.1-112.7 141.1 48.5 18.8 -1.8 65 85 A G > - 0 0 0 84,-2.3 3,-1.7 -2,-0.4 23,-0.2 -0.395 38.5-139.5 -53.9 120.0 48.3 18.1 1.9 66 86 A P T 3 S+ 0 0 15 0, 0.0 22,-3.1 0, 0.0 25,-0.2 0.780 94.5 50.3 -65.3 -27.1 44.6 17.3 2.1 67 87 A Y T 3 S+ 0 0 30 20,-0.2 16,-3.1 2,-0.0 2,-0.5 0.204 87.4 105.0 -93.6 14.4 43.9 19.1 5.5 68 88 A W E < +B 82 0B 37 -3,-1.7 14,-0.2 14,-0.2 20,-0.1 -0.870 45.8 174.7-107.3 130.0 45.6 22.4 4.5 69 89 A W E -B 81 0B 73 12,-2.9 12,-2.8 -2,-0.5 -2,-0.0 -0.892 39.0 -83.5-131.3 154.0 43.5 25.4 3.6 70 90 A P - 0 0 53 0, 0.0 8,-0.2 0, 0.0 10,-0.1 -0.325 44.0-123.5 -56.5 139.4 44.0 29.1 2.7 71 91 A D > - 0 0 20 6,-2.3 3,-2.0 8,-0.2 6,-0.3 -0.803 14.9-155.0 -87.9 110.2 44.3 31.3 5.8 72 92 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.741 90.8 64.0 -62.5 -18.7 41.6 33.9 5.6 73 93 A S T 3 S+ 0 0 92 4,-0.1 5,-0.0 3,-0.1 -2,-0.0 0.570 92.5 78.0 -78.4 -7.3 43.6 36.3 7.8 74 94 A K S X S- 0 0 83 -3,-2.0 3,-1.9 1,-0.1 0, 0.0 -0.837 86.2-122.2-110.0 144.7 46.4 36.5 5.1 75 95 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.798 112.5 20.6 -52.3 -41.6 46.2 38.6 1.9 76 96 A D T 3 S- 0 0 105 2,-0.3 -3,-0.1 -3,-0.0 -5,-0.0 0.053 115.0-102.6-112.1 14.6 46.7 35.7 -0.5 77 97 A G < + 0 0 8 -3,-1.9 -6,-2.3 -6,-0.3 4,-0.1 0.528 68.4 179.1 75.6 7.0 45.6 33.0 2.0 78 98 A L + 0 0 63 -8,-0.2 -2,-0.3 2,-0.1 -1,-0.2 -0.791 47.2 26.6-112.5 142.1 49.3 32.1 2.5 79 99 A P S S- 0 0 43 0, 0.0 73,-0.2 0, 0.0 -8,-0.2 0.562 92.7-124.3 -78.5 155.6 50.7 30.1 4.1 80 100 A Y - 0 0 21 71,-2.3 2,-0.3 -2,-0.1 -2,-0.1 -0.222 22.2-142.7 -57.4 157.3 48.0 27.5 4.3 81 101 A I E -B 69 0B 50 -12,-2.8 -12,-2.9 -4,-0.1 2,-0.4 -0.837 17.2-105.4-125.1 157.3 46.8 26.4 7.7 82 102 A R E -B 68 0B 121 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.673 24.4-179.6 -94.5 134.4 45.7 23.0 8.9 83 103 A K > - 0 0 95 -16,-3.1 3,-2.5 -2,-0.4 5,-0.1 -0.823 33.2-135.9-124.4 86.3 42.1 21.9 9.6 84 104 A D T 3 S+ 0 0 22 -2,-0.4 3,-0.1 1,-0.3 -16,-0.0 -0.178 83.7 8.6 -52.5 127.0 42.6 18.3 10.8 85 105 A G T 3 S+ 0 0 1 1,-0.2 2,-0.6 186,-0.1 -1,-0.3 0.339 101.1 107.1 88.5 -5.7 40.0 16.0 9.2 86 106 A Q < - 0 0 107 -3,-2.5 2,-0.5 -19,-0.1 -3,-0.3 -0.935 62.3-143.9-111.3 112.3 38.6 18.5 6.8 87 107 A R - 0 0 111 -2,-0.6 -20,-0.2 -20,-0.1 -3,-0.0 -0.648 9.6-135.0 -84.7 119.7 39.7 17.8 3.2 88 108 A N > - 0 0 5 -22,-3.1 3,-2.1 -2,-0.5 4,-0.2 -0.549 8.6-144.6 -73.5 117.0 40.3 20.9 1.0 89 109 A P G > S+ 0 0 94 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.695 90.8 80.7 -61.5 -16.7 38.6 20.3 -2.3 90 110 A E G > S+ 0 0 52 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.734 73.4 78.7 -54.6 -25.4 41.5 22.2 -4.1 91 111 A L G X S+ 0 0 8 -3,-2.1 3,-1.5 1,-0.3 5,-0.4 0.799 77.6 71.6 -56.4 -23.0 43.4 18.9 -3.8 92 112 A D G < S+ 0 0 100 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.672 83.2 69.9 -67.4 -18.3 41.4 17.7 -6.8 93 113 A K G < S+ 0 0 119 -3,-2.0 -43,-0.8 -4,-0.2 -42,-0.4 0.674 99.7 52.5 -71.8 -20.8 43.4 20.1 -9.1 94 114 A L S < S- 0 0 13 -3,-1.5 4,-0.3 -4,-0.3 -31,-0.2 0.062 107.5 -76.0-102.4-152.5 46.6 18.0 -8.7 95 115 A D S > S+ 0 0 0 -33,-2.7 4,-2.7 1,-0.2 5,-0.2 0.581 97.9 89.2 -89.9 -15.1 47.4 14.3 -9.1 96 116 A R H > S+ 0 0 60 -5,-0.4 4,-2.2 -34,-0.3 -1,-0.2 0.887 92.0 41.8 -59.1 -47.1 45.9 12.5 -6.0 97 117 A N H > S+ 0 0 55 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.850 114.0 52.1 -73.3 -31.6 42.4 11.8 -7.3 98 118 A K H > S+ 0 0 72 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.929 110.8 48.2 -65.7 -44.5 43.6 10.7 -10.7 99 119 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.912 112.7 49.5 -58.7 -46.7 46.0 8.3 -9.1 100 120 A G H X S+ 0 0 7 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.897 110.5 49.1 -56.9 -47.0 43.1 7.1 -6.9 101 121 A D H X S+ 0 0 70 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.904 114.2 46.6 -61.1 -43.5 40.8 6.6 -9.9 102 122 A X H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.950 113.7 46.6 -62.8 -51.3 43.6 4.7 -11.7 103 123 A S H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.915 114.1 47.5 -60.9 -45.0 44.5 2.5 -8.8 104 124 A K H X S+ 0 0 133 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.907 112.4 50.6 -61.7 -41.9 40.8 1.7 -8.0 105 125 A A H X S+ 0 0 4 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.915 110.6 47.2 -64.8 -43.3 40.2 0.9 -11.7 106 126 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.910 114.2 48.5 -66.4 -40.1 43.1 -1.5 -12.1 107 127 A T H X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.944 113.7 46.2 -62.9 -50.0 42.1 -3.2 -8.9 108 128 A T H X S+ 0 0 13 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.920 116.1 45.9 -54.9 -50.1 38.5 -3.5 -10.0 109 129 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.878 112.0 49.3 -66.4 -41.1 39.5 -4.8 -13.5 110 130 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.927 113.7 46.3 -65.8 -44.7 42.0 -7.3 -12.2 111 131 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.921 112.6 51.2 -60.6 -44.7 39.5 -8.7 -9.7 112 132 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 6,-0.4 0.919 110.6 48.2 -60.3 -44.2 36.9 -8.8 -12.5 113 133 A Y H X S+ 0 0 17 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.934 111.7 51.2 -59.4 -44.3 39.3 -10.6 -14.8 114 134 A Y H < S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 116.9 37.8 -58.6 -46.1 40.1 -13.1 -12.0 115 135 A F H < S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.816 130.4 27.6 -77.8 -33.3 36.5 -13.9 -11.2 116 136 A S H < S- 0 0 51 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.679 84.5-138.3-102.8 -25.8 35.1 -13.9 -14.8 117 137 A G < + 0 0 37 -4,-2.8 2,-0.7 -5,-0.3 -4,-0.2 0.499 50.4 149.4 67.5 8.6 38.0 -14.8 -17.0 118 138 A D >> - 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0 0 68 -5,-3.2 4,-2.3 -6,-0.2 3,-1.1 -0.500 65.3-140.6 -73.3 130.4 54.1 5.3 -21.8 136 156 A A T 34 S+ 0 0 77 -2,-0.3 -1,-0.1 1,-0.3 -5,-0.0 0.838 97.9 54.9 -58.1 -37.0 56.8 8.0 -22.3 137 157 A K T 34 S+ 0 0 183 1,-0.2 -1,-0.3 -78,-0.0 -6,-0.1 0.723 126.3 15.0 -69.7 -25.7 54.3 10.7 -23.1 138 158 A T T <4 S+ 0 0 32 -3,-1.1 -92,-0.6 -8,-0.2 -91,-0.3 0.475 87.3 131.6-131.3 -4.0 52.2 10.3 -19.9 139 159 A K < - 0 0 78 -4,-2.3 2,-0.5 -94,-0.1 -6,-0.3 -0.134 52.3-123.5 -72.4 151.0 54.1 8.3 -17.3 140 160 A X - 0 0 0 -8,-2.6 -80,-0.2 -80,-0.1 -1,-0.1 -0.747 29.7-119.2 -83.2 128.1 54.5 9.1 -13.6 141 161 A N - 0 0 33 -82,-2.7 2,-2.1 -2,-0.5 -80,-0.3 -0.400 31.9-107.4 -62.8 146.9 58.2 9.2 -12.5 142 162 A P S S+ 0 0 23 0, 0.0 2,-0.3 0, 0.0 61,-0.3 -0.377 88.7 71.6 -85.5 67.5 58.9 6.6 -9.8 143 163 A H - 0 0 32 -2,-2.1 -82,-0.5 60,-0.1 3,-0.1 -0.963 63.8-142.7-164.3 162.5 59.2 9.0 -6.8 144 164 A L > + 0 0 2 -2,-0.3 3,-1.8 1,-0.1 15,-0.2 -0.209 48.2 136.9-127.6 44.7 57.1 11.2 -4.5 145 165 A T T 3 S+ 0 0 29 1,-0.3 13,-1.9 13,-0.1 -1,-0.1 0.839 84.1 39.8 -56.5 -31.1 59.5 14.2 -4.0 146 166 A Y E > S+a 62 0A 26 -85,-0.5 -83,-1.7 11,-0.2 3,-0.7 0.015 83.8 134.1-112.1 24.7 56.4 16.5 -4.5 147 167 A G E < S+ 0 0 0 -3,-1.8 12,-2.5 1,-0.2 15,-0.6 -0.633 77.7 1.4 -72.1 132.2 53.8 14.4 -2.7 148 168 A Q E 3 S- 0 0 11 -2,-0.4 -84,-0.3 10,-0.2 -1,-0.2 0.899 79.8-179.9 48.2 51.2 51.7 16.6 -0.3 149 169 A T E < -a 64 0A 10 -86,-2.3 -84,-2.3 -3,-0.7 9,-0.2 -0.342 15.5-147.1 -55.4 154.6 53.1 20.0 -1.1 150 170 A I B > -C 153 0C 6 3,-0.5 3,-2.5 7,-0.4 6,-0.3 -0.984 21.4-107.8-137.0 123.1 51.5 22.7 0.9 151 171 A P T 3 S+ 0 0 40 0, 0.0 -71,-2.3 0, 0.0 3,-0.1 -0.261 103.5 5.8 -53.0 125.6 51.0 26.2 -0.5 152 172 A G T 3 S+ 0 0 59 -73,-0.2 2,-0.3 1,-0.2 3,-0.1 0.419 116.3 91.9 80.6 -0.0 53.3 28.6 1.3 153 173 A K B X S+C 150 0C 75 -3,-2.5 3,-1.4 1,-0.1 -3,-0.5 -0.872 76.6 16.5-126.3 159.5 55.2 25.9 3.2 154 174 A N G > S- 0 0 81 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.690 111.7 -82.6 59.0 22.7 58.2 23.7 2.9 155 175 A K G 3 S- 0 0 211 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.833 85.8 -56.0 50.6 42.8 59.6 25.8 0.1 156 176 A G G < S+ 0 0 28 -3,-1.4 -102,-0.5 -6,-0.3 -1,-0.3 0.450 108.1 127.4 76.6 0.9 57.5 24.2 -2.6 157 177 A X < - 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0 0 53 -2,-1.7 4,-2.6 1,-0.1 5,-0.2 -0.230 47.3 -99.7 -85.4 171.0 52.4 -9.7 -21.0 187 207 A P H > S+ 0 0 112 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.880 125.6 54.3 -57.9 -34.0 55.9 -10.4 -19.9 188 208 A K H > S+ 0 0 179 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.903 109.2 46.8 -67.0 -42.1 56.9 -6.9 -21.2 189 209 A V H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.943 113.8 48.6 -63.6 -44.4 54.1 -5.2 -19.1 190 210 A K H X S+ 0 0 71 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.919 111.1 49.6 -61.7 -45.9 55.1 -7.2 -16.0 191 211 A K H X S+ 0 0 129 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.903 111.1 50.0 -60.3 -44.0 58.8 -6.3 -16.5 192 212 A G H X S+ 0 0 16 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.914 112.5 46.7 -61.9 -42.7 57.9 -2.6 -16.9 193 213 A X H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.903 112.6 48.5 -66.2 -44.6 55.8 -2.6 -13.8 194 214 A K H X S+ 0 0 64 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.896 111.3 52.0 -63.2 -37.2 58.5 -4.4 -11.7 195 215 A E H X S+ 0 0 101 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.910 109.1 49.9 -66.0 -41.1 61.1 -1.9 -13.0 196 216 A W H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.958 113.8 44.3 -60.2 -49.1 58.9 1.0 -11.9 197 217 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.817 109.6 57.2 -68.0 -30.2 58.4 -0.4 -8.4 198 218 A T H X S+ 0 0 50 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.941 109.8 45.5 -64.1 -44.7 62.2 -1.3 -8.3 199 219 A Q H X S+ 0 0 100 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.894 111.0 52.2 -64.8 -41.5 62.9 2.4 -8.9 200 220 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.935 109.2 49.7 -58.1 -47.2 60.4 3.5 -6.4 201 221 A V H X S+ 0 0 9 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.916 109.2 52.4 -60.0 -41.5 61.9 1.2 -3.7 202 222 A E H X S+ 0 0 117 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.896 111.8 46.3 -57.5 -44.8 65.3 2.6 -4.5 203 223 A W H >X S+ 0 0 33 -4,-2.3 4,-3.0 -61,-0.3 3,-0.7 0.899 109.6 54.3 -64.7 -43.4 63.9 6.1 -4.0 204 224 A X H 3< S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.862 110.2 47.1 -59.7 -36.2 62.2 5.1 -0.8 205 225 A Q H 3< S+ 0 0 113 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.648 125.7 26.8 -82.2 -11.9 65.4 3.8 0.7 206 226 A T H << S+ 0 0 116 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.2 0.707 90.9 98.3-119.1 -31.7 67.5 6.9 -0.3 207 227 A S X - 0 0 10 -4,-3.0 4,-2.2 -5,-0.2 5,-0.1 -0.368 61.9-141.0 -72.2 142.1 65.4 10.0 -0.5 208 228 A P H > S+ 0 0 99 0, 0.0 4,-1.2 0, 0.0 -48,-0.1 0.780 104.4 55.5 -68.0 -25.9 65.3 12.5 2.3 209 229 A V H > S+ 0 0 9 2,-0.2 4,-1.1 1,-0.2 3,-0.5 0.948 110.5 44.0 -70.2 -47.5 61.5 13.0 1.7 210 230 A A H >> S+ 0 0 0 1,-0.2 4,-2.2 -7,-0.2 3,-0.5 0.890 107.6 60.5 -62.7 -38.0 60.9 9.3 2.0 211 231 A A H 3X S+ 0 0 31 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.834 97.0 60.0 -58.1 -35.6 63.1 9.2 5.1 212 232 A E H 3< S+ 0 0 75 -4,-1.2 4,-0.3 -3,-0.5 -1,-0.3 0.893 108.3 44.5 -57.8 -42.8 60.7 11.7 6.7 213 233 A E H X< S+ 0 0 5 -4,-1.1 3,-1.2 -3,-0.5 11,-0.2 0.898 108.9 55.6 -68.7 -41.4 57.9 9.1 6.3 214 234 A Q H 3< S+ 0 0 64 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.881 109.8 47.2 -58.2 -38.0 60.1 6.3 7.5 215 235 A R T 3< S+ 0 0 153 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.467 83.8 125.0 -81.0 -10.5 60.8 8.2 10.8 216 236 A A < - 0 0 21 -3,-1.2 8,-0.1 -4,-0.3 -3,-0.1 -0.279 52.8-150.9 -59.3 139.7 57.2 9.1 11.4 217 237 A K S S+ 0 0 167 4,-0.1 48,-0.1 3,-0.1 -1,-0.1 0.527 72.1 48.3 -89.5 -9.3 55.9 8.0 14.8 218 238 A N S >> S- 0 0 33 47,-0.1 4,-1.6 46,-0.1 3,-1.1 -0.188 116.8 -46.5-115.0-157.2 52.2 7.5 13.8 219 239 A N H 3> S+ 0 0 1 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.764 127.2 64.4 -50.1 -29.9 50.2 5.7 11.1 220 240 A H H 3> S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.920 104.4 43.5 -63.4 -44.1 52.5 7.2 8.5 221 241 A G H <> S+ 0 0 0 -3,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.878 113.6 50.3 -71.7 -37.3 55.5 5.4 9.6 222 242 A L H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.947 112.2 48.7 -62.0 -44.1 53.6 2.1 10.2 223 243 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.847 103.4 61.4 -64.9 -34.6 52.2 2.4 6.7 224 244 A Y H X S+ 0 0 8 -4,-1.8 4,-2.9 -11,-0.2 -1,-0.2 0.937 104.5 48.9 -56.6 -46.6 55.7 3.1 5.2 225 245 A D H X S+ 0 0 5 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.893 109.8 50.8 -63.2 -43.3 56.9 -0.3 6.4 226 246 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.940 113.4 45.1 -57.7 -45.8 53.9 -2.1 4.9 227 247 A Q H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.943 112.3 50.7 -67.1 -45.5 54.4 -0.4 1.5 228 248 A L H X S+ 0 0 7 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.932 113.0 48.0 -56.6 -42.3 58.2 -1.0 1.5 229 249 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.946 113.6 45.3 -64.5 -50.1 57.5 -4.7 2.3 230 250 A A H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.898 115.8 45.7 -62.0 -43.0 54.9 -5.2 -0.4 231 251 A Y H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 6,-0.2 0.891 110.8 54.3 -72.4 -34.9 56.9 -3.4 -3.1 232 252 A A H <>S+ 0 0 0 -4,-2.7 5,-2.9 -5,-0.3 -2,-0.2 0.932 110.4 46.4 -59.7 -45.6 60.1 -5.3 -2.1 233 253 A L H ><5S+ 0 0 15 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.924 110.1 52.8 -66.0 -42.0 58.2 -8.6 -2.5 234 254 A Y H 3<5S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.847 111.3 47.0 -62.4 -34.3 56.7 -7.6 -5.9 235 255 A T T 3<5S- 0 0 22 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.301 121.9-103.8 -91.3 7.4 60.2 -6.7 -7.2 236 256 A G T < 5S+ 0 0 66 -3,-1.5 2,-1.3 -4,-0.2 3,-0.2 0.579 79.8 131.8 86.5 11.2 61.8 -10.0 -5.9 237 257 A N >< + 0 0 64 -5,-2.9 4,-1.7 -6,-0.2 3,-0.2 -0.575 17.2 158.9 -99.9 70.4 63.6 -8.5 -2.9 238 258 A Q H > + 0 0 100 -2,-1.3 4,-2.9 1,-0.2 -1,-0.2 0.824 69.5 59.6 -65.8 -30.1 62.5 -11.0 -0.3 239 259 A D H > S+ 0 0 132 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 105.1 46.8 -67.2 -42.9 65.4 -10.1 2.0 240 260 A L H > S+ 0 0 16 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 113.6 49.9 -64.0 -40.6 64.4 -6.5 2.3 241 261 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.944 110.9 49.4 -60.7 -47.6 60.8 -7.6 3.0 242 262 A X H X S+ 0 0 42 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.911 111.6 48.6 -58.4 -45.4 62.0 -10.1 5.6 243 263 A K H X S+ 0 0 105 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.916 111.8 48.4 -60.0 -46.8 64.1 -7.5 7.4 244 264 A T H X S+ 0 0 8 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.900 113.6 48.3 -64.9 -40.8 61.3 -4.9 7.4 245 265 A I H >< S+ 0 0 1 -4,-2.5 3,-0.8 2,-0.2 -2,-0.2 0.934 109.9 51.0 -62.1 -48.1 58.9 -7.6 8.8 246 266 A Q H 3< S+ 0 0 115 -4,-2.8 4,-0.3 1,-0.3 -2,-0.2 0.853 114.7 43.5 -64.4 -31.1 61.3 -8.7 11.5 247 267 A E H 3X S+ 0 0 75 -4,-1.9 4,-2.5 -5,-0.2 5,-0.3 0.596 92.5 88.6 -84.3 -13.4 61.8 -5.2 12.7 248 268 A F H S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.8 5,-1.5 0.872 80.3 54.1 -62.9 -41.0 58.1 -4.2 12.5 249 269 A P H 4>S+ 0 0 17 0, 0.0 5,-3.2 0, 0.0 6,-0.4 0.961 117.8 34.5 -61.0 -49.7 56.9 -5.2 16.0 250 270 A E H 45S+ 0 0 159 -4,-0.3 -2,-0.2 3,-0.2 5,-0.1 0.908 123.8 44.0 -70.5 -39.7 59.6 -3.2 17.9 251 271 A K H <5S+ 0 0 82 -4,-2.5 -1,-0.2 3,-0.1 -3,-0.2 0.866 135.1 5.8 -74.1 -34.9 59.7 -0.3 15.5 252 272 A R T X5S+ 0 0 8 -4,-2.7 4,-2.2 -5,-0.3 5,-0.2 0.799 126.7 44.6-118.6 -58.4 56.0 0.1 14.9 253 273 A L H > - 0 0 70 4,-3.0 3,-2.6 -2,-0.5 49,-0.3 -0.394 36.2 -96.9 -81.7 168.3 50.1 1.3 24.6 259 279 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.757 126.2 51.3 -64.7 -19.2 49.8 -1.6 27.1 260 280 A D T 3 S- 0 0 87 2,-0.1 46,-0.1 46,-0.0 45,-0.1 0.316 123.5-102.7 -91.9 10.3 46.0 -1.0 27.2 261 281 A G S < S+ 0 0 0 -3,-2.6 53,-0.1 1,-0.3 54,-0.1 0.274 74.9 141.0 87.1 -10.7 45.7 -1.0 23.4 262 282 A K - 0 0 68 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.374 43.2-153.2 -64.6 144.4 45.3 2.7 23.0 263 283 A Q >> - 0 0 2 -6,-0.2 4,-2.5 1,-0.1 3,-1.4 -0.842 14.5-170.8-114.3 87.7 47.1 4.3 20.0 264 284 A P H 3> S+ 0 0 59 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.777 78.5 55.0 -58.7 -33.4 47.6 7.8 21.5 265 285 A L H 34 S+ 0 0 92 -9,-0.3 -47,-0.1 1,-0.2 -9,-0.0 0.761 114.8 41.6 -72.1 -24.5 48.8 9.5 18.3 266 286 A E H X4 S+ 0 0 2 -3,-1.4 3,-1.5 -10,-0.2 9,-0.2 0.808 110.1 56.9 -83.1 -37.7 45.7 8.4 16.5 267 287 A L H 3< S+ 0 0 16 -4,-2.5 62,-0.5 1,-0.3 5,-0.2 0.696 97.9 63.5 -69.1 -17.7 43.3 9.1 19.5 268 288 A A T 3< S+ 0 0 74 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.1 0.546 87.3 99.7 -79.4 -10.0 44.5 12.7 19.5 269 289 A R S X S- 0 0 25 -3,-1.5 3,-0.9 1,-0.1 60,-0.4 -0.333 84.4-119.2 -78.7 161.7 43.0 13.3 16.0 270 290 A T T 3 S+ 0 0 23 1,-0.3 61,-2.0 2,-0.1 2,-0.2 0.768 120.7 42.1 -69.2 -22.7 39.7 14.9 15.0 271 291 A T B 3> S+D 330 0D 8 59,-0.3 4,-2.8 1,-0.1 -1,-0.3 -0.525 75.4 154.5-113.8 62.1 38.9 11.6 13.4 272 292 A A H <> S+ 0 0 0 57,-1.3 4,-1.8 -3,-0.9 58,-0.2 0.837 72.7 48.0 -62.2 -35.1 40.2 9.4 16.2 273 293 A L H > S+ 0 0 1 56,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.940 113.2 50.2 -69.7 -43.5 38.0 6.4 15.5 274 294 A G H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.921 113.5 43.1 -58.1 -45.9 38.9 6.7 11.8 275 295 A Y H X S+ 0 0 30 -4,-2.8 4,-2.5 -9,-0.2 5,-0.2 0.828 109.6 56.5 -72.5 -35.0 42.6 6.8 12.4 276 296 A T H X S+ 0 0 1 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.937 114.8 40.8 -56.9 -46.0 42.5 4.0 15.1 277 297 A I H X S+ 0 0 4 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.897 111.3 55.9 -69.8 -42.3 40.8 1.8 12.4 278 298 A F H X S+ 0 0 74 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.941 112.9 42.3 -53.3 -49.3 43.2 3.1 9.5 279 299 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.918 113.3 51.4 -70.7 -42.7 46.2 2.0 11.5 280 300 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.898 108.9 52.0 -59.7 -41.5 44.7 -1.3 12.7 281 301 A G H X S+ 0 0 6 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.892 110.3 48.1 -62.2 -37.6 43.8 -2.1 9.0 282 302 A H H X S+ 0 0 15 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.851 108.3 54.7 -71.6 -34.2 47.4 -1.5 8.0 283 303 A X H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.927 109.8 47.5 -58.9 -47.3 48.6 -3.6 10.9 284 304 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.842 106.8 56.2 -65.9 -34.6 46.4 -6.4 9.5 285 305 A D H X S+ 0 0 13 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.936 109.2 47.3 -60.1 -43.8 47.7 -5.8 6.0 286 306 A X H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.897 109.9 52.7 -63.3 -41.9 51.2 -6.4 7.4 287 307 A C H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 10,-0.2 0.914 110.6 48.6 -59.2 -41.5 50.0 -9.5 9.2 288 308 A S H X S+ 0 0 15 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.960 114.2 43.9 -64.0 -50.9 48.6 -10.8 5.9 289 309 A I H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.5 0.948 114.8 50.4 -57.1 -48.4 51.9 -10.1 4.0 290 310 A A H ><>S+ 0 0 0 -4,-3.1 5,-2.6 1,-0.3 3,-1.5 0.843 102.1 60.8 -60.1 -37.7 54.0 -11.6 6.8 291 311 A S H ><5S+ 0 0 66 -4,-2.1 3,-1.4 1,-0.3 -1,-0.3 0.824 96.2 61.0 -62.3 -32.0 51.9 -14.8 7.0 292 312 A T T <<5S+ 0 0 57 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.733 109.3 42.5 -68.5 -20.0 52.8 -15.6 3.4 293 313 A L T < 5S- 0 0 25 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.170 121.4-107.9-105.1 10.3 56.5 -15.7 4.5 294 314 A G T < 5S+ 0 0 64 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.696 73.4 140.3 69.7 22.2 55.6 -17.6 7.7 295 315 A Q < - 0 0 55 -5,-2.6 2,-1.4 -6,-0.1 3,-0.3 -0.854 47.4-144.2-101.3 122.5 56.3 -14.6 10.0 296 316 A D + 0 0 100 -2,-0.5 4,-0.1 1,-0.2 -9,-0.1 -0.637 39.4 150.1 -92.8 84.0 53.8 -14.2 12.9 297 317 A I > + 0 0 7 -2,-1.4 3,-1.7 -10,-0.2 11,-0.3 0.854 65.7 67.1 -75.6 -36.5 53.4 -10.5 13.2 298 318 A Y T 3 S+ 0 0 2 -3,-0.3 10,-0.5 1,-0.3 11,-0.4 0.886 105.1 39.9 -54.7 -45.2 49.8 -10.8 14.5 299 319 A N T 3 S+ 0 0 82 9,-0.1 -1,-0.3 8,-0.1 2,-0.2 0.393 81.2 131.5 -88.2 4.1 50.8 -12.5 17.8 300 320 A A < + 0 0 18 -3,-1.7 8,-0.5 -4,-0.1 2,-0.4 -0.393 35.1 179.9 -63.0 124.2 53.9 -10.3 18.4 301 321 A T - 0 0 83 -2,-0.2 6,-0.2 6,-0.1 2,-0.1 -0.994 21.8-133.2-135.9 132.2 53.6 -9.1 22.0 302 322 A S > - 0 0 18 4,-2.2 3,-2.0 -2,-0.4 -52,-0.0 -0.363 34.6-102.6 -79.7 166.9 55.9 -6.9 24.1 303 323 A Q T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.847 125.0 48.9 -56.7 -33.8 57.0 -7.7 27.6 304 324 A D T 3 S- 0 0 86 2,-0.0 -1,-0.3 1,-0.0 -2,-0.0 0.298 126.5 -96.9 -95.8 14.5 54.4 -5.2 28.8 305 325 A G < + 0 0 30 -3,-2.0 2,-0.3 1,-0.3 5,-0.1 0.618 67.2 153.0 90.7 13.3 51.5 -6.5 26.8 306 326 A R + 0 0 46 4,-0.1 -4,-2.2 -49,-0.1 2,-0.3 -0.621 23.6 130.2 -74.6 131.7 51.5 -4.2 23.7 307 327 A S S > S- 0 0 9 -49,-0.3 4,-2.1 -2,-0.3 5,-0.1 -0.982 72.7 -96.4-167.7 166.3 50.0 -6.1 20.7 308 328 A I H > S+ 0 0 0 -10,-0.5 4,-2.4 -8,-0.5 5,-0.2 0.899 123.6 57.5 -59.3 -37.4 47.5 -6.0 17.9 309 329 A T H > S+ 0 0 25 -11,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.931 105.6 49.2 -59.8 -42.1 45.2 -8.0 20.2 310 330 A A H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.938 109.9 51.4 -63.5 -40.6 45.4 -5.2 22.8 311 331 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.870 111.9 46.8 -64.2 -40.3 44.7 -2.6 20.1 312 332 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.897 108.1 55.2 -64.8 -43.3 41.6 -4.6 19.0 313 333 A K H < S+ 0 0 139 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.806 104.5 54.3 -64.8 -29.8 40.4 -5.0 22.6 314 334 A F H < S+ 0 0 20 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.897 114.4 42.5 -63.2 -43.3 40.5 -1.2 23.1 315 335 A L H >< S+ 0 0 1 -4,-1.2 3,-1.8 -5,-0.2 4,-0.5 0.876 96.7 74.1 -72.9 -40.9 38.3 -0.8 20.0 316 336 A I G >< S+ 0 0 31 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.830 87.0 59.0 -51.4 -45.6 35.7 -3.5 20.4 317 337 A P G 3 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.751 103.4 55.3 -60.1 -21.0 33.6 -2.1 23.3 318 338 A Y G X S+ 0 0 41 -3,-1.8 3,-1.5 -4,-0.3 2,-0.4 0.605 80.9 104.0 -85.8 -10.7 32.8 0.9 21.1 319 339 A I T < S+ 0 0 7 -3,-2.0 19,-0.0 -4,-0.5 20,-0.0 -0.584 96.7 7.5 -76.2 122.8 31.4 -1.1 18.3 320 340 A G T 3 S+ 0 0 42 -2,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.429 106.1 113.4 84.1 1.6 27.7 -0.8 18.3 321 341 A K S < S- 0 0 89 -3,-1.5 -1,-0.3 1,-0.1 5,-0.1 -0.778 74.2 -99.8-102.5 146.7 27.7 1.9 21.1 322 342 A P > - 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0 0 17 1,-0.1 -2,-0.0 -28,-0.1 4,-0.0 -0.320 49.0-117.6 -61.0 117.5 26.8 -4.6 4.9 368 388 A P > - 0 0 63 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.195 22.3-116.0 -57.5 149.4 24.7 -5.5 1.9 369 389 A A T 3 S+ 0 0 63 1,-0.3 -342,-0.4 5,-0.0 -2,-0.1 0.677 110.4 59.7 -63.9 -22.1 25.4 -8.9 0.4 370 390 A N T 3 S+ 0 0 55 -344,-0.2 -1,-0.3 -343,-0.1 -340,-0.1 0.458 75.5 118.4 -87.3 -1.0 26.6 -7.4 -2.9 371 391 A K S X S- 0 0 102 -3,-1.9 3,-1.6 1,-0.1 4,-0.3 -0.421 70.4-126.4 -70.9 139.1 29.5 -5.3 -1.4 372 392 A R T >> S+ 0 0 60 1,-0.3 3,-1.8 2,-0.2 4,-1.2 0.759 101.0 74.7 -54.5 -31.1 32.9 -6.4 -2.7 373 393 A I H 3> S+ 0 0 50 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.812 84.9 66.4 -61.8 -25.1 34.3 -6.8 0.8 374 394 A H H <4 S+ 0 0 40 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.804 105.4 43.9 -63.1 -27.2 32.4 -10.1 1.1 375 395 A L H X4 S+ 0 0 1 -3,-1.8 3,-0.5 -4,-0.3 -1,-0.2 0.837 116.6 44.0 -82.5 -35.5 34.5 -11.5 -1.7 376 396 A I H 3< S+ 0 0 11 -4,-1.2 -368,-0.5 1,-0.2 -2,-0.2 0.827 124.4 30.9 -86.2 -36.7 37.9 -10.2 -0.4 377 397 A Y T 3< S+ 0 0 26 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.495 89.0 157.0-120.6 61.5 37.5 -11.0 3.3 378 398 A S < - 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