==== 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 SUGAR BINDING PROTEIN 14-DEC-09 3L22 . COMPND 2 MOLECULE: SUSD SUPERFAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 429 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 21 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 2 2 2 1 0 2 0 1 0 1 1 2 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 36 A D 0 0 147 0, 0.0 2,-0.4 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 -48.2 44.2 44.4 21.4 2 37 A I - 0 0 132 1,-0.1 2,-2.2 2,-0.0 3,-0.2 -0.727 360.0-116.4 -67.1 134.8 40.7 44.8 19.9 3 38 A F + 0 0 20 -2,-0.4 93,-0.2 1,-0.2 94,-0.1 -0.452 66.3 139.7 -85.4 72.8 40.9 48.4 18.9 4 39 A T + 0 0 88 -2,-2.2 -1,-0.2 1,-0.1 3,-0.1 0.513 68.7 22.5 -90.2 -7.7 38.1 49.8 21.1 5 40 A S S > S- 0 0 31 -3,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.987 78.3-110.2-154.4 159.9 40.1 53.0 22.0 6 41 A P H > S+ 0 0 59 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.874 116.6 57.3 -60.1 -37.9 42.9 55.3 20.7 7 42 A T H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.893 106.6 50.2 -66.0 -32.9 45.2 54.2 23.5 8 43 A R H > S+ 0 0 110 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 110.9 48.9 -67.8 -39.5 44.8 50.5 22.4 9 44 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.965 113.7 46.6 -59.7 -49.6 45.6 51.5 18.7 10 45 A E H X S+ 0 0 76 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.850 106.7 56.8 -66.8 -34.1 48.6 53.4 19.9 11 46 A A H X S+ 0 0 64 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.904 111.5 44.3 -60.4 -42.5 49.8 50.6 22.2 12 47 A T H X S+ 0 0 39 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.909 111.3 53.8 -69.6 -38.3 49.8 48.3 19.1 13 48 A L H >X S+ 0 0 2 -4,-2.7 4,-1.4 1,-0.2 3,-1.2 0.942 107.3 50.3 -61.1 -47.4 51.5 50.9 17.0 14 49 A N H 3X S+ 0 0 74 -4,-2.9 4,-2.0 1,-0.3 -1,-0.2 0.846 103.0 61.7 -58.7 -30.9 54.3 51.3 19.6 15 50 A G H 3X S+ 0 0 29 -4,-1.4 4,-2.4 2,-0.2 -1,-0.3 0.786 97.6 58.2 -63.7 -28.1 54.6 47.5 19.4 16 51 A L H X S+ 0 0 43 -4,-2.0 4,-1.6 1,-0.2 3,-1.3 0.906 105.0 59.9 -66.3 -39.0 59.4 47.6 19.3 19 54 A A H 3< S+ 0 0 15 -4,-2.4 60,-0.2 1,-0.3 -1,-0.2 0.774 105.2 46.4 -65.3 -29.6 59.2 44.7 16.9 20 55 A I H 3< S+ 0 0 2 -4,-1.2 9,-2.0 -3,-0.2 -1,-0.3 0.591 116.5 47.7 -85.5 -8.2 61.8 46.2 14.5 21 56 A K H << S- 0 0 8 -3,-1.3 7,-2.8 -4,-0.5 9,-2.3 0.913 117.1 -61.1 -93.2 -73.1 64.2 46.9 17.5 22 57 A N B < -A 27 0A 10 -4,-1.6 -1,-0.3 5,-0.3 5,-0.3 -0.976 34.1-132.2-166.9 162.7 64.3 43.8 19.7 23 58 A T - 0 0 47 3,-3.0 227,-0.3 -2,-0.3 5,-0.1 -0.484 49.1 -85.7-104.1-173.2 62.4 41.4 21.9 24 59 A G S S+ 0 0 55 -2,-0.2 3,-0.1 1,-0.2 224,-0.0 0.724 126.7 19.5 -60.7 -26.1 63.2 40.1 25.3 25 60 A T S S+ 0 0 89 1,-0.1 2,-0.3 225,-0.1 -1,-0.2 0.607 124.7 38.5-122.1 -18.2 65.4 37.3 23.9 26 61 A K - 0 0 69 45,-0.0 -3,-3.0 49,-0.0 2,-0.3 -0.839 64.4-144.2-134.0 163.7 66.3 38.3 20.3 27 62 A S B +A 22 0A 3 -2,-0.3 -5,-0.3 -5,-0.3 48,-0.1 -0.936 17.8 170.6-131.3 153.8 67.3 41.5 18.5 28 63 A L S > >S- 0 0 4 -7,-2.8 3,-1.7 -2,-0.3 5,-1.5 0.089 78.6 -14.4-122.9-114.9 66.8 43.1 15.1 29 64 A X T 3 5S+ 0 0 6 -9,-2.0 -8,-0.2 1,-0.3 -7,-0.1 0.575 132.0 61.8 -75.7 -5.9 67.7 46.7 14.2 30 65 A G T 3 5S- 0 0 1 -9,-2.3 225,-0.5 -10,-0.2 -1,-0.3 0.430 126.4 -8.0 -89.3 -2.1 68.1 47.6 17.9 31 66 A G T X>5S+ 0 0 0 -3,-1.7 4,-2.1 -10,-0.4 3,-1.0 -0.205 126.3 10.5-152.8-117.2 70.9 45.0 18.2 32 67 A K H 3>5S+ 0 0 20 221,-0.3 4,-1.7 1,-0.2 -3,-0.1 0.777 119.0 56.1 -61.0 -35.5 72.5 42.3 16.1 33 68 A S H 3> S+ 0 0 1 -6,-1.1 3,-1.1 -3,-1.0 4,-0.8 0.920 110.3 52.7 -77.5 -45.0 72.2 46.6 12.9 35 70 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-0.5 0.806 96.9 70.8 -55.7 -32.4 75.6 45.4 13.9 36 71 A V H 3X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.889 93.6 54.2 -50.7 -43.3 75.4 43.1 10.8 37 72 A F H > - 0 0 63 3,-0.2 5,-1.5 1,-0.1 3,-1.2 -0.969 59.8-155.5-132.9 119.9 82.8 33.3 17.7 51 86 A L G > 5S+ 0 0 91 -2,-0.4 3,-1.1 1,-0.3 17,-0.2 0.797 96.5 65.1 -61.7 -28.6 79.8 32.5 15.5 52 87 A V G 3 5S+ 0 0 88 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.820 103.6 47.9 -63.6 -29.5 77.5 33.7 18.4 53 88 A T G < 5S- 0 0 2 -3,-1.2 -1,-0.3 211,-0.0 -5,-0.2 -0.245 127.4 -89.0-113.6 48.5 78.9 37.2 18.0 54 89 A L T X>5S+ 0 0 0 -3,-1.1 4,-2.2 1,-0.1 3,-0.5 0.551 78.4 139.6 73.4 14.3 78.7 37.7 14.2 55 90 A F H 3>S+ 0 0 19 2,-0.2 5,-3.1 1,-0.2 6,-0.3 0.805 107.5 53.2 -66.8 -29.3 80.6 34.6 10.1 57 92 A T H X45S+ 0 0 0 -3,-0.5 3,-1.4 3,-0.2 -2,-0.2 0.949 110.4 46.7 -66.5 -47.4 78.9 37.9 9.0 58 93 A Y H 3<5S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.902 112.9 49.5 -59.8 -43.8 82.3 39.7 9.2 59 94 A N T 3<5S- 0 0 52 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.365 111.6-120.1 -79.0 4.3 84.0 36.9 7.3 60 95 A X T < 5S+ 0 0 8 -3,-1.4 -3,-0.2 -4,-0.1 -2,-0.1 0.934 80.1 119.9 58.2 49.1 81.4 37.0 4.6 61 96 A N < + 0 0 82 -5,-3.1 2,-0.3 -6,-0.1 -4,-0.2 -0.004 27.8 149.2-135.6 28.7 80.6 33.4 5.4 62 97 A V - 0 0 4 -6,-0.3 2,-0.2 349,-0.2 351,-0.1 -0.533 22.3-175.2 -79.5 129.6 76.9 33.3 6.4 63 98 A G > - 0 0 17 -2,-0.3 3,-0.8 351,-0.1 6,-0.1 -0.422 43.2 -80.8-111.4-173.4 75.1 30.1 5.6 64 99 A I T 3 S+ 0 0 71 1,-0.2 354,-2.7 -2,-0.2 355,-0.4 0.639 124.7 41.6 -69.7 -15.1 71.5 28.8 5.8 65 100 A T T 3 S+ 0 0 112 352,-0.2 -1,-0.2 353,-0.1 -3,-0.0 0.436 77.9 127.3-113.5 -0.1 71.7 27.9 9.6 66 101 A D X> - 0 0 18 -3,-0.8 4,-2.2 1,-0.1 3,-0.8 -0.321 63.0-128.4 -60.7 136.8 73.6 30.9 11.0 67 102 A A H 3> S+ 0 0 44 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.864 107.4 53.8 -53.5 -42.4 71.8 32.5 14.0 68 103 A E H 3> S+ 0 0 2 -17,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.819 110.1 48.2 -68.6 -27.9 72.0 36.0 12.6 69 104 A N H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.960 115.1 42.8 -72.7 -52.6 70.4 34.8 9.3 70 105 A A H X S+ 0 0 18 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.909 118.2 46.7 -59.3 -43.2 67.5 32.9 11.0 71 106 A D H X S+ 0 0 24 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.920 111.1 48.9 -69.7 -44.8 67.0 35.7 13.5 72 107 A T H X S+ 0 0 4 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.942 117.6 43.6 -58.7 -47.2 67.0 38.6 11.0 73 108 A W H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.961 116.1 45.0 -59.0 -59.4 64.6 36.7 8.8 74 109 A T H X S+ 0 0 51 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.926 118.6 41.5 -56.3 -47.2 62.2 35.5 11.5 75 110 A Y H X S+ 0 0 47 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.830 112.5 52.9 -79.9 -30.3 62.1 38.9 13.4 76 111 A A H X S+ 0 0 3 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.935 113.8 44.2 -60.5 -48.8 61.8 41.1 10.2 77 112 A Y H X S+ 0 0 24 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.841 111.1 53.9 -69.7 -33.4 58.9 38.9 9.0 78 113 A L H X S+ 0 0 83 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.932 110.7 46.6 -59.8 -48.6 57.3 39.0 12.5 79 114 A A H X S+ 0 0 1 -4,-2.3 4,-2.1 -60,-0.2 -2,-0.2 0.932 112.8 50.7 -56.6 -44.8 57.5 42.8 12.4 80 115 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.926 110.3 48.3 -61.3 -44.9 56.0 42.8 8.9 81 116 A N H X S+ 0 0 49 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.873 108.1 55.4 -67.2 -36.1 53.1 40.5 9.9 82 117 A K H X S+ 0 0 110 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.897 110.2 46.1 -58.8 -41.5 52.4 42.7 12.9 83 118 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.947 111.4 51.0 -65.8 -45.8 52.1 45.7 10.5 84 119 A N H X S+ 0 0 7 -4,-2.6 4,-1.8 1,-0.2 58,-0.3 0.922 115.3 43.7 -57.4 -44.9 49.9 43.8 8.1 85 120 A T H X S+ 0 0 52 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.915 111.6 52.7 -67.0 -45.7 47.6 42.8 11.0 86 121 A F H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.930 109.5 49.8 -53.6 -50.5 47.7 46.3 12.5 87 122 A L H X S+ 0 0 27 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.876 112.1 47.5 -61.2 -38.3 46.6 47.8 9.2 88 123 A Q H X S+ 0 0 129 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.920 114.2 46.1 -70.2 -42.3 43.7 45.3 8.8 89 124 A S H >< S+ 0 0 52 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.910 109.5 55.5 -63.5 -40.3 42.5 45.9 12.4 90 125 A L H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 0.837 96.5 65.0 -62.4 -31.7 42.8 49.7 12.0 91 126 A E H >< S+ 0 0 139 -4,-1.4 3,-0.6 1,-0.3 -1,-0.3 0.839 103.4 47.9 -61.2 -30.8 40.5 49.5 9.0 92 127 A G T << S+ 0 0 76 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.315 109.5 54.7 -89.1 9.5 37.7 48.3 11.3 93 128 A A T <> + 0 0 8 -3,-2.1 4,-2.5 1,-0.1 -1,-0.2 -0.070 62.4 133.0-132.9 33.6 38.5 51.1 13.8 94 129 A R H <> S+ 0 0 140 -3,-0.6 4,-1.3 1,-0.2 7,-0.2 0.867 76.4 44.2 -58.6 -42.7 38.2 54.2 11.7 95 130 A E H 4 S+ 0 0 183 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.864 110.6 53.2 -71.3 -41.0 36.0 56.1 14.1 96 131 A V H 4 S+ 0 0 51 1,-0.2 -2,-0.2 -93,-0.2 -1,-0.2 0.926 110.2 49.4 -57.4 -43.6 38.0 55.2 17.2 97 132 A A H >< S+ 0 0 4 -4,-2.5 3,-1.5 -7,-0.2 -2,-0.2 0.813 88.0 172.0 -65.9 -29.1 41.1 56.5 15.4 98 133 A G G >< - 0 0 42 -4,-1.3 3,-1.7 1,-0.2 -1,-0.2 -0.246 65.3 -7.2 56.5-136.7 39.3 59.8 14.5 99 134 A E G 3 S+ 0 0 184 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.631 132.5 63.5 -68.7 -14.3 41.5 62.5 12.9 100 135 A N G <> + 0 0 61 -3,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.443 69.3 102.8 -91.7 -1.0 44.7 60.4 13.6 101 136 A Y H <> S+ 0 0 22 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 0.909 81.7 47.0 -44.5 -55.8 43.7 57.5 11.3 102 137 A D H > S+ 0 0 89 -3,-0.3 4,-2.7 1,-0.3 5,-0.2 0.869 109.7 52.5 -64.6 -38.9 46.1 58.5 8.4 103 138 A R H > S+ 0 0 82 -4,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.902 109.2 50.1 -60.0 -44.8 49.1 59.1 10.6 104 139 A Y H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.924 113.4 46.3 -61.5 -42.7 48.7 55.7 12.2 105 140 A V H X S+ 0 0 21 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.936 113.9 47.1 -61.6 -48.8 48.5 54.0 8.7 106 141 A Q H X S+ 0 0 14 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.882 112.3 50.2 -70.4 -32.9 51.4 56.0 7.4 107 142 A E H X S+ 0 0 3 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.934 111.1 48.6 -65.7 -44.5 53.6 55.2 10.4 108 143 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.908 110.1 51.9 -64.4 -42.4 52.8 51.5 10.3 109 144 A K H X S+ 0 0 63 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.881 105.5 56.0 -60.3 -37.7 53.7 51.5 6.5 110 145 A F H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.927 106.2 50.4 -58.7 -46.8 57.0 53.2 7.3 111 146 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.930 112.5 46.4 -60.2 -43.3 57.9 50.3 9.7 112 147 A R H X S+ 0 0 18 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.923 112.3 51.7 -64.0 -40.2 57.0 47.7 7.0 113 148 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.914 109.7 48.6 -62.9 -44.0 59.0 49.7 4.5 114 149 A L H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.896 109.6 52.2 -63.0 -41.4 62.1 49.8 6.7 115 150 A A H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.964 112.5 44.8 -62.3 -48.9 61.9 46.0 7.5 116 151 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.855 108.4 59.3 -61.6 -36.0 61.8 45.2 3.7 117 152 A Y H < S+ 0 0 2 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.919 106.6 45.6 -60.6 -45.8 64.6 47.7 3.1 118 153 A Y H >< S+ 0 0 8 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.921 112.0 51.2 -66.0 -39.3 67.0 45.9 5.4 119 154 A L H >X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.3 3,-1.8 0.908 105.1 58.2 -60.6 -36.2 66.0 42.5 3.9 120 155 A N T 3< S+ 0 0 2 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.572 102.5 54.9 -72.6 -12.1 66.7 43.9 0.4 121 156 A N T <4 S+ 0 0 3 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.162 115.3 36.1-106.7 18.9 70.3 44.7 1.5 122 157 A L T <4 S+ 0 0 0 -3,-1.8 292,-2.6 3,-0.1 -2,-0.2 0.617 116.6 38.4-127.7 -47.3 71.1 41.2 2.6 123 158 A Y S < S+ 0 0 11 -4,-2.0 2,-0.2 290,-0.2 -3,-0.1 0.882 102.1 56.3 -89.0 -40.3 69.5 38.5 0.3 124 159 A P S S- 0 0 1 0, 0.0 11,-0.1 0, 0.0 3,-0.1 -0.618 85.8-101.6 -97.0 156.9 69.6 39.7 -3.3 125 160 A T - 0 0 38 9,-0.3 31,-0.2 -2,-0.2 8,-0.2 -0.444 63.6 -89.7 -52.6 138.9 72.3 40.8 -5.6 126 161 A P >> - 0 0 7 0, 0.0 4,-2.7 0, 0.0 3,-1.6 -0.186 26.1-119.9 -63.5 149.8 72.1 44.6 -5.6 127 162 A Y T 34 S+ 0 0 45 1,-0.3 5,-0.1 2,-0.2 75,-0.1 0.846 111.7 64.7 -53.5 -39.4 69.8 46.5 -8.0 128 163 A S T 34 S+ 0 0 48 261,-0.4 -1,-0.3 73,-0.3 261,-0.1 0.729 113.7 33.4 -61.3 -24.7 72.9 48.3 -9.5 129 164 A V T <4 S- 0 0 75 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.824 141.9 -3.1 -95.2 -43.9 74.2 44.9 -10.6 130 165 A N >< - 0 0 65 -4,-2.7 3,-1.8 1,-0.1 26,-0.3 -0.729 51.8-169.7-154.3 100.2 71.0 43.1 -11.5 131 166 A P T 3 S+ 0 0 45 0, 0.0 26,-1.8 0, 0.0 27,-0.3 0.707 92.1 56.4 -62.0 -23.1 67.5 44.6 -10.9 132 167 A D T 3 S+ 0 0 112 24,-0.1 2,-0.1 23,-0.1 -5,-0.1 0.320 77.0 128.6 -90.0 7.5 65.9 41.2 -11.6 133 168 A A < - 0 0 9 -3,-1.8 23,-2.7 -8,-0.2 24,-0.2 -0.401 68.0-107.7 -62.1 138.3 67.9 39.4 -8.9 134 169 A K B +C 155 0C 83 21,-0.2 -9,-0.3 1,-0.1 21,-0.3 -0.493 46.2 166.1 -72.7 135.3 65.6 37.4 -6.5 135 170 A S - 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0 0 77 5,-0.0 2,-0.4 1,-0.0 3,-0.2 -0.396 33.2-155.6 -76.0 143.4 58.6 67.6 15.0 177 212 A V S S+ 0 0 43 1,-0.2 58,-0.1 -2,-0.1 61,-0.1 -0.921 71.6 7.8-114.7 139.7 62.4 68.2 15.4 178 213 A N S S+ 0 0 67 59,-0.5 2,-0.3 56,-0.4 -1,-0.2 0.850 96.2 113.1 57.5 40.6 64.2 67.5 18.8 179 214 A T S > S- 0 0 47 -3,-0.2 4,-1.8 55,-0.1 5,-0.2 -0.971 75.5-117.4-130.0 153.1 61.3 65.9 20.7 180 215 A Y H > S+ 0 0 128 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.930 117.7 45.8 -48.4 -50.3 61.1 62.2 21.9 181 216 A T H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 110.1 53.6 -67.5 -36.2 58.1 61.6 19.7 182 217 A G H 4 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.792 116.8 37.8 -66.9 -29.2 59.6 63.3 16.7 183 218 A V H < S+ 0 0 1 -4,-1.8 57,-2.2 -3,-0.3 -2,-0.2 0.792 121.0 42.4 -93.0 -28.5 62.7 61.1 16.9 184 219 A T H < S+ 0 0 7 -4,-2.3 2,-0.3 -5,-0.2 -2,-0.2 0.565 110.1 56.7-104.4 -10.0 61.1 57.8 17.9 185 220 A H S < S- 0 0 34 -4,-1.8 2,-0.3 -5,-0.2 5,-0.1 -0.874 100.9 -92.1-107.4 154.0 58.0 57.8 15.6 186 221 A A - 0 0 0 -2,-0.3 -12,-0.6 4,-0.1 2,-0.2 -0.493 45.9-170.7 -64.5 121.9 58.3 58.1 11.9 187 222 A T B > -d 174 0D 0 -2,-0.3 4,-2.2 -5,-0.2 -12,-0.2 -0.564 42.8 -98.6 -98.7 172.1 58.2 61.7 10.6 188 223 A Q H > S+ 0 0 57 -14,-2.3 4,-2.6 1,-0.2 5,-0.2 0.924 127.6 55.5 -55.6 -42.9 57.9 63.0 7.1 189 224 A A H > S+ 0 0 10 -15,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.891 106.8 48.9 -56.6 -43.3 61.7 63.5 7.3 190 225 A A H > S+ 0 0 0 48,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 111.5 48.5 -62.3 -45.8 62.2 59.9 8.3 191 226 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.901 112.5 49.4 -60.3 -43.1 60.0 58.6 5.4 192 227 A N H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.844 107.1 54.7 -68.1 -33.3 61.9 60.9 3.0 193 228 A X H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.924 111.0 45.3 -63.2 -43.9 65.3 59.7 4.3 194 229 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.905 112.5 51.3 -66.4 -40.9 64.2 56.1 3.5 195 230 A K H X S+ 0 0 35 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.938 109.6 50.9 -62.2 -43.2 62.9 57.2 0.1 196 231 A X H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.935 109.6 49.6 -60.0 -46.6 66.2 58.8 -0.6 197 232 A R H X S+ 0 0 12 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.892 111.8 49.1 -57.7 -42.1 68.1 55.7 0.3 198 233 A V H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.945 111.1 48.1 -64.2 -50.0 65.9 53.6 -1.9 199 234 A Y H ><>S+ 0 0 50 -4,-2.8 5,-2.7 1,-0.2 3,-0.9 0.899 109.4 53.7 -62.5 -35.7 66.3 55.9 -4.9 200 235 A X H ><5S+ 0 0 2 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.911 103.2 56.5 -61.6 -39.1 70.1 56.0 -4.5 201 236 A A H 3<5S+ 0 0 3 -4,-1.9 -73,-0.3 1,-0.3 -1,-0.2 0.714 110.6 46.2 -63.4 -21.1 70.1 52.2 -4.6 202 237 A X T <<5S- 0 0 16 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.270 115.5-115.0-104.1 11.5 68.4 52.5 -8.0 203 238 A N T < 5 + 0 0 89 -3,-1.8 2,-1.3 1,-0.2 -3,-0.2 0.739 69.3 143.4 58.3 27.5 70.7 55.3 -9.3 204 239 A E >< + 0 0 61 -5,-2.7 4,-2.6 1,-0.2 5,-0.2 -0.593 17.2 166.3 -94.9 72.0 67.7 57.6 -9.3 205 240 A W H > + 0 0 39 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.882 69.8 48.8 -65.6 -39.2 69.8 60.6 -8.3 206 241 A D H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 113.2 45.8 -67.3 -42.9 67.2 63.3 -9.1 207 242 A K H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.871 112.1 53.5 -68.4 -34.0 64.3 61.5 -7.3 208 243 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.921 108.5 49.8 -63.1 -45.2 66.7 60.9 -4.4 209 244 A I H X S+ 0 0 9 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.908 107.4 53.2 -59.5 -46.5 67.5 64.7 -4.2 210 245 A T H X S+ 0 0 94 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.931 113.3 43.9 -56.1 -47.5 63.8 65.6 -4.3 211 246 A A H >< S+ 0 0 4 -4,-2.0 3,-1.1 1,-0.2 4,-0.2 0.947 116.1 45.7 -60.3 -52.4 63.1 63.4 -1.3 212 247 A G H >< S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.799 104.3 61.1 -68.5 -29.8 66.2 64.4 0.7 213 248 A E H 3< S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.688 93.3 67.6 -71.4 -14.0 65.7 68.1 0.1 214 249 A L T << S+ 0 0 102 -3,-1.1 2,-1.0 -4,-0.7 -1,-0.3 0.613 74.9 98.8 -73.7 -12.9 62.3 67.8 1.9 215 250 A V < + 0 0 6 -3,-1.4 2,-0.3 -4,-0.2 3,-0.1 -0.663 57.4 159.3 -79.3 102.0 64.2 67.1 5.2 216 251 A T + 0 0 104 -2,-1.0 -27,-0.1 1,-0.1 3,-0.1 -0.828 36.7 43.2-125.7 160.2 64.2 70.5 6.8 217 252 A G S S+ 0 0 63 1,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.346 82.7 109.4 93.8 -5.9 64.5 72.0 10.3 218 253 A Y - 0 0 20 -3,-0.1 -1,-0.3 18,-0.1 2,-0.3 -0.496 43.6-171.4 -95.1 168.4 67.5 69.9 11.5 219 254 A S - 0 0 44 16,-1.6 96,-0.2 -2,-0.2 97,-0.1 -0.907 29.7-106.6-149.9 174.7 71.1 71.0 12.1 220 255 A L - 0 0 29 -2,-0.3 4,-0.1 95,-0.1 16,-0.0 -0.928 34.6-147.2-107.3 100.8 74.6 69.8 12.8 221 256 A P - 0 0 25 0, 0.0 5,-0.0 0, 0.0 13,-0.0 -0.339 18.4-123.5 -60.8 151.8 75.5 70.6 16.5 222 257 A E S S+ 0 0 130 1,-0.1 2,-0.8 2,-0.0 -2,-0.0 0.718 96.2 75.4 -68.0 -23.1 79.2 71.3 17.0 223 258 A D > - 0 0 69 1,-0.1 3,-1.0 2,-0.0 -1,-0.1 -0.838 63.0-167.5 -95.8 112.7 79.5 68.5 19.6 224 259 A V T 3 S+ 0 0 14 -2,-0.8 3,-0.2 1,-0.2 -1,-0.1 0.481 80.3 65.8 -77.3 -4.1 79.6 65.1 17.9 225 260 A T T > S+ 0 0 30 1,-0.1 3,-1.5 2,-0.1 4,-0.3 0.521 71.7 94.9 -93.5 -7.0 79.0 63.2 21.2 226 261 A L G X S+ 0 0 64 -3,-1.0 3,-1.4 1,-0.3 6,-0.5 0.856 78.4 54.6 -58.9 -39.9 75.4 64.4 22.0 227 262 A I G 3 S+ 0 0 14 1,-0.3 82,-0.3 -3,-0.2 -1,-0.3 0.598 102.6 57.0 -76.8 -10.6 73.5 61.6 20.5 228 263 A Y G < S+ 0 0 17 -3,-1.5 2,-0.3 80,-0.1 -1,-0.3 0.309 106.5 52.9-100.2 3.5 75.3 58.8 22.5 229 264 A K S X S- 0 0 107 -3,-1.4 3,-2.8 -4,-0.3 4,-0.3 -0.919 99.0 -23.3-136.0 162.8 74.4 60.3 25.9 230 265 A A T 3 S+ 0 0 78 1,-0.4 -2,-0.1 -2,-0.3 -1,-0.1 -0.122 129.8 20.8 -45.3 134.2 71.3 61.4 27.7 231 266 A P T 3 S- 0 0 80 0, 0.0 -1,-0.4 0, 0.0 -4,-0.1 -0.963 95.2-141.2 -88.1 11.2 68.7 62.3 26.3 232 267 A Y S < S+ 0 0 43 -3,-2.8 2,-0.3 -6,-0.5 -2,-0.2 0.578 70.9 68.6 77.4 18.8 70.1 60.3 23.4 233 268 A F - 0 0 32 -4,-0.3 2,-0.2 -7,-0.2 -1,-0.2 -0.972 53.2-179.2-154.9 162.1 68.9 62.7 20.6 234 269 A S > - 0 0 9 -2,-0.3 3,-1.6 -3,-0.1 -56,-0.4 -0.775 55.4 -73.6-142.8-175.6 69.8 66.2 19.4 235 270 A Q T 3 S+ 0 0 97 1,-0.2 -16,-1.6 -2,-0.2 -56,-0.0 0.521 129.5 60.2 -64.4 -8.0 68.6 68.6 16.8 236 271 A E T 3 S+ 0 0 7 -18,-0.2 79,-2.8 78,-0.1 2,-0.4 0.618 81.7 103.8 -85.9 -17.5 70.5 66.3 14.3 237 272 A S E < +E 314 0E 3 -3,-1.6 -59,-0.5 77,-0.2 77,-0.2 -0.528 33.8 164.0 -83.6 121.1 68.4 63.3 15.1 238 273 A I E S- 0 0 0 75,-2.1 2,-0.3 -2,-0.4 -48,-0.2 0.870 70.3 -3.3 -95.7 -56.9 65.8 62.3 12.5 239 274 A F E +E 313 0E 0 74,-2.3 74,-2.4 -50,-0.1 73,-1.9 -0.978 68.0 159.9-146.0 131.9 64.8 58.8 13.5 240 275 A S E -E 311 0E 4 -57,-2.2 69,-0.0 -2,-0.3 -7,-0.0 -0.932 39.9-116.4-143.9 161.6 66.2 56.4 16.2 241 276 A L E -E 310 0E 2 69,-2.7 69,-2.2 -2,-0.3 2,-0.1 -0.929 38.3-146.9-102.6 113.0 65.2 53.3 18.1 242 277 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 66,-0.1 -0.442 6.6-147.7 -82.6 159.0 64.9 54.3 21.8 243 278 A X - 0 0 17 64,-0.5 2,-0.3 -2,-0.1 66,-0.1 -0.922 11.0-172.5-123.8 152.9 65.7 52.0 24.8 244 279 A A >> - 0 0 40 -2,-0.3 3,-2.7 62,-0.1 4,-0.6 -0.949 40.8-105.1-139.7 155.8 64.3 51.7 28.3 245 280 A D T 34 S+ 0 0 118 -2,-0.3 3,-0.4 1,-0.3 -1,-0.0 0.809 119.9 51.4 -51.2 -34.5 65.4 49.7 31.2 246 281 A T T 34 S+ 0 0 138 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.362 116.8 36.0 -88.9 1.6 62.5 47.3 30.7 247 282 A N T <4 S+ 0 0 63 -3,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.240 78.2 133.1-139.7 16.6 63.1 46.5 27.0 248 283 A I < - 0 0 47 -4,-0.6 59,-0.1 -3,-0.4 58,-0.1 -0.254 65.9 -87.8 -62.9 158.0 66.9 46.5 26.5 249 284 A P - 0 0 3 0, 0.0 5,-0.2 0, 0.0 3,-0.1 -0.286 44.3-114.4 -68.3 155.4 68.5 43.7 24.5 250 285 A N > - 0 0 71 -227,-0.3 3,-1.5 1,-0.2 4,-0.4 0.014 64.4 -28.9 -77.1-171.8 69.5 40.5 26.2 251 286 A T T 3 S- 0 0 100 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.136 129.1 -8.3 -52.2 126.9 73.0 39.0 26.7 252 287 A Q T 3 S+ 0 0 77 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.838 107.6 102.5 52.4 42.3 75.4 40.0 23.9 253 288 A Q < + 0 0 25 -3,-1.5 -221,-0.3 -4,-0.1 2,-0.2 0.470 56.1 89.9-121.8 -10.3 72.7 41.6 21.7 254 289 A S S > S- 0 0 6 -4,-0.4 4,-0.8 -5,-0.2 3,-0.2 -0.561 79.1-121.1 -89.7 155.4 73.3 45.3 22.4 255 290 A L H >> S+ 0 0 8 -225,-0.5 3,-1.4 1,-0.2 4,-0.8 0.927 112.6 53.8 -50.8 -51.0 75.5 47.6 20.4 256 291 A A H >> S+ 0 0 4 1,-0.3 4,-2.6 46,-0.2 3,-0.7 0.847 101.2 59.3 -60.0 -34.2 77.5 48.5 23.5 257 292 A E H 34 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.772 104.7 51.4 -66.6 -23.1 78.2 44.9 24.3 258 293 A Y H << S+ 0 0 0 -3,-1.4 7,-2.6 -4,-0.8 6,-0.3 0.678 123.4 25.2 -84.7 -19.6 79.9 44.6 20.9 259 294 A Y H X< S+ 0 0 1 -4,-0.8 3,-0.7 -3,-0.7 38,-0.2 0.682 98.5 81.5-115.9 -26.3 82.3 47.6 21.3 260 295 A Y T 3< S+ 0 0 109 -4,-2.6 -3,-0.1 1,-0.2 -2,-0.1 0.648 99.6 29.3 -70.1 -25.3 82.9 48.3 25.0 261 296 A D T 3 S- 0 0 54 -4,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.371 95.5-117.6-119.6 2.9 85.6 45.8 25.9 262 297 A G S < S+ 0 0 19 -3,-0.7 -2,-0.1 3,-0.3 -3,-0.1 0.468 86.5 106.9 76.4 1.7 87.7 45.1 22.8 263 298 A K S S+ 0 0 151 2,-0.0 3,-0.1 -217,-0.0 -4,-0.1 0.558 90.2 16.1 -91.2 -8.8 86.8 41.4 22.7 264 299 A I S S+ 0 0 7 1,-0.4 -217,-3.1 -6,-0.3 -216,-0.4 0.590 122.6 24.9-122.6 -79.8 84.4 41.6 19.7 265 300 A X E +B 46 0B 0 -7,-2.6 -1,-0.4 -219,-0.2 -3,-0.3 -0.772 59.0 172.0 -97.5 138.1 84.5 44.7 17.5 266 301 A L E -B 45 0B 29 -221,-2.3 -221,-2.9 -2,-0.4 2,-0.3 -0.901 42.6 -93.5-128.0 162.3 87.5 47.0 17.0 267 302 A I E -B 44 0B 1 28,-3.1 2,-1.5 -2,-0.3 -223,-0.3 -0.597 39.0-121.7 -67.0 134.0 88.2 49.8 14.7 268 303 A D > + 0 0 8 -225,-2.2 4,-1.5 -2,-0.3 7,-0.3 -0.667 45.7 162.6 -78.7 88.9 90.0 48.6 11.5 269 304 A T T 4 + 0 0 44 -2,-1.5 -1,-0.2 1,-0.2 -225,-0.0 0.583 65.1 61.6 -87.4 -10.4 93.1 50.8 11.9 270 305 A K T 4 S- 0 0 117 -3,-0.1 -1,-0.2 127,-0.1 -2,-0.1 0.902 131.4 -8.9 -75.7 -41.5 95.2 48.7 9.5 271 306 A S T 4 S+ 0 0 40 -229,-0.1 -2,-0.2 5,-0.0 126,-0.1 0.434 108.8 91.0-140.6 -9.0 93.1 49.1 6.4 272 307 A G S >< S- 0 0 0 -4,-1.5 3,-2.3 -229,-0.1 4,-0.3 -0.117 94.8 -70.7 -88.2-168.4 89.7 50.8 7.1 273 308 A I G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 6,-0.3 0.853 130.1 55.3 -54.6 -41.2 88.7 54.5 7.1 274 309 A X G 3 S+ 0 0 4 -6,-0.3 -1,-0.3 1,-0.3 -5,-0.1 0.455 96.0 67.2 -80.1 1.5 90.7 55.4 10.2 275 310 A S G < S+ 0 0 41 -3,-2.3 -1,-0.3 -7,-0.3 -2,-0.2 0.482 84.0 89.8 -83.4 -11.6 93.9 54.0 8.6 276 311 A K S X S- 0 0 65 -3,-1.8 3,-1.7 -4,-0.3 5,-0.1 -0.760 79.7-134.9 -90.6 134.0 93.7 56.8 6.1 277 312 A P G > S+ 0 0 101 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.863 102.4 51.4 -63.0 -32.7 95.5 60.0 7.1 278 313 A D G 3 S+ 0 0 47 1,-0.3 3,-0.2 2,-0.1 77,-0.1 0.607 114.6 45.3 -71.9 -10.2 92.8 62.5 6.1 279 314 A Y G < S+ 0 0 9 -3,-1.7 -1,-0.3 -6,-0.3 -3,-0.1 0.040 111.8 50.8-122.1 22.4 90.2 60.5 8.1 280 315 A S S < S+ 0 0 37 -3,-1.3 -2,-0.1 -5,-0.1 -1,-0.1 0.037 70.7 156.8-142.5 33.3 92.3 60.0 11.2 281 316 A L > - 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