==== 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 23-OCT-09 3KDW . COMPND 2 MOLECULE: PUTATIVE SUGAR BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS ATCC 8482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 80.6 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 . 1 0.5 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 . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 0 0 0 1 0 1 0 1 0 0 0 2 0 0 1 0 1 0 0 0 0 0 0 1 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 -5 A N 0 0 117 0, 0.0 2,-0.4 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 86.7 33.0 38.5 15.1 2 -4 A L - 0 0 148 1,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.602 360.0-136.3 -80.2 125.7 33.9 34.8 15.0 3 -3 A Y + 0 0 38 -2,-0.4 2,-0.3 43,-0.0 -1,-0.0 -0.591 25.9 173.7 -77.5 139.4 33.5 33.0 18.3 4 -2 A F - 0 0 131 -2,-0.3 43,-0.1 0, 0.0 -2,-0.0 -0.989 33.7-112.0-137.5 141.0 36.2 30.6 19.6 5 -1 A Q - 0 0 64 -2,-0.3 39,-0.1 1,-0.1 4,-0.1 -0.271 31.0-168.2 -70.1 158.0 36.1 29.0 23.0 6 0 A G - 0 0 20 2,-0.6 4,-0.1 37,-0.2 -1,-0.1 0.022 58.1 -38.8-111.3-136.3 38.7 29.9 25.5 7 21 A A S S+ 0 0 87 -2,-0.1 2,-0.6 2,-0.1 -2,-0.1 0.771 118.9 79.2 -69.1 -32.2 39.5 28.2 28.9 8 22 A V S S- 0 0 40 1,-0.0 -2,-0.6 0, 0.0 2,-0.3 -0.704 88.2-126.7 -78.8 121.9 35.8 27.5 29.6 9 23 A D - 0 0 117 -2,-0.6 2,-0.4 -4,-0.1 -2,-0.1 -0.535 15.2-126.9 -69.2 131.5 34.8 24.5 27.7 10 24 A L - 0 0 11 -2,-0.3 2,-2.2 -4,-0.1 3,-0.3 -0.665 20.7-127.6 -74.2 131.0 31.6 24.9 25.5 11 25 A D + 0 0 62 -2,-0.4 -1,-0.1 36,-0.3 -2,-0.0 -0.441 64.2 133.8 -81.7 68.4 29.2 22.1 26.4 12 26 A R > + 0 0 115 -2,-2.2 3,-1.9 2,-0.1 -1,-0.2 0.603 21.9 119.8 -95.5 -20.0 28.8 21.0 22.8 13 27 A E T 3 S+ 0 0 178 -3,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.287 86.5 2.0 -65.2 130.0 29.1 17.2 22.9 14 28 A G T 3 S+ 0 0 91 1,-0.3 2,-0.3 -2,-0.0 -1,-0.3 0.458 101.9 123.7 80.0 1.2 26.2 15.3 21.7 15 29 A R S < S- 0 0 41 -3,-1.9 -1,-0.3 1,-0.1 -3,-0.0 -0.684 74.3 -97.5 -97.0 148.5 24.2 18.4 20.8 16 30 A D > - 0 0 101 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.432 32.7-136.2 -57.4 125.1 22.8 19.2 17.3 17 31 A P H > S+ 0 0 101 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.836 102.2 52.9 -60.0 -33.7 25.4 21.5 15.7 18 32 A A H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.903 110.7 48.3 -66.9 -37.4 22.8 24.0 14.3 19 33 A Y H > S+ 0 0 60 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.947 111.6 50.0 -65.2 -46.2 21.3 24.3 17.8 20 34 A V H X S+ 0 0 18 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.932 111.4 48.2 -57.8 -46.7 24.8 24.9 19.3 21 35 A E H X S+ 0 0 146 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.905 110.3 52.1 -63.1 -40.1 25.5 27.6 16.6 22 36 A S H X S+ 0 0 58 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.910 112.0 45.5 -63.1 -42.0 22.1 29.3 17.3 23 37 A I H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.926 112.4 50.7 -68.6 -43.8 22.8 29.5 21.1 24 38 A V H X S+ 0 0 12 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.941 111.2 48.5 -59.0 -43.7 26.4 30.7 20.6 25 39 A K H X S+ 0 0 65 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.904 112.2 49.0 -64.0 -41.3 25.1 33.4 18.2 26 40 A R H X S+ 0 0 120 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.914 113.4 47.3 -59.9 -45.5 22.4 34.4 20.8 27 41 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 109.1 53.2 -65.4 -43.5 25.0 34.5 23.5 28 42 A Q H X S+ 0 0 40 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.873 105.8 55.1 -58.6 -40.9 27.5 36.5 21.4 29 43 A K H X S+ 0 0 68 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.893 107.9 48.1 -63.7 -37.1 24.8 39.1 20.8 30 44 A I H >X S+ 0 0 15 -4,-1.6 3,-0.5 1,-0.2 4,-0.5 0.931 112.5 48.9 -63.6 -46.4 24.2 39.6 24.5 31 45 A V H >X>S+ 0 0 5 -4,-2.3 3,-1.5 1,-0.2 4,-0.6 0.871 102.2 63.1 -66.2 -35.8 28.0 39.9 25.1 32 46 A D H ><5S+ 0 0 93 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.872 96.7 58.1 -54.5 -38.3 28.3 42.5 22.3 33 47 A K H <<5S+ 0 0 116 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.708 95.2 65.1 -70.9 -16.6 26.0 44.9 24.2 34 48 A L H <<5S- 0 0 23 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.699 93.3-145.4 -73.5 -21.5 28.4 44.8 27.2 35 49 A E T <<5 - 0 0 166 -3,-1.4 -3,-0.1 -4,-0.6 -2,-0.1 0.907 26.1-172.2 52.9 47.8 31.1 46.5 25.0 36 50 A L < - 0 0 41 -5,-0.5 -1,-0.1 1,-0.1 3,-0.0 -0.320 22.5-155.1 -66.7 150.9 33.9 44.5 26.8 37 51 A T S S+ 0 0 144 1,-0.1 2,-0.6 -2,-0.0 -1,-0.1 0.419 75.6 79.5-108.2 -2.7 37.5 45.5 26.0 38 52 A D > - 0 0 90 1,-0.1 4,-2.2 2,-0.0 5,-0.1 -0.943 63.2-164.5-107.8 108.3 39.1 42.1 26.8 39 53 A T H > S+ 0 0 111 -2,-0.6 4,-1.5 1,-0.2 -1,-0.1 0.841 88.4 51.1 -70.2 -29.8 38.5 39.9 23.8 40 54 A V H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.955 109.1 50.4 -68.6 -45.9 39.4 36.7 25.7 41 55 A A H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.914 107.1 55.9 -55.6 -42.8 37.0 37.6 28.6 42 56 A A H X S+ 0 0 23 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.892 107.5 48.1 -57.6 -44.2 34.3 38.2 25.9 43 57 A R H X S+ 0 0 80 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.920 111.7 50.0 -59.8 -45.7 34.8 34.6 24.6 44 58 A E H X S+ 0 0 9 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.924 112.1 46.7 -61.8 -45.9 34.6 33.2 28.1 45 59 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.900 109.5 55.1 -62.8 -42.2 31.4 35.1 29.0 46 60 A T H X S+ 0 0 8 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.935 110.9 45.2 -52.6 -48.8 29.9 34.0 25.6 47 61 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -36,-0.3 0.898 110.7 53.1 -63.4 -43.5 30.6 30.3 26.6 48 62 A I H X S+ 0 0 9 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.916 112.8 44.4 -60.3 -45.4 29.3 30.7 30.1 49 63 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.942 113.9 49.6 -65.3 -47.5 26.0 32.1 28.8 50 64 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.924 109.4 51.6 -58.3 -43.8 25.7 29.5 26.1 51 65 A N H X S+ 0 0 34 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.861 107.9 52.6 -63.6 -33.2 26.3 26.7 28.6 52 66 A R H X S+ 0 0 16 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.935 108.3 50.4 -70.5 -44.7 23.6 28.1 30.8 53 67 A Y H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.922 112.3 48.8 -53.0 -46.6 21.1 28.0 27.9 54 68 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.900 111.1 47.8 -63.3 -43.1 22.1 24.5 27.2 55 69 A K H X S+ 0 0 84 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.917 110.7 51.4 -66.5 -41.0 21.7 23.3 30.8 56 70 A L H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.928 108.4 53.7 -57.4 -46.6 18.3 25.0 31.0 57 71 A N H X S+ 0 0 45 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.924 108.7 48.4 -50.2 -50.0 17.4 23.1 27.8 58 72 A D H X S+ 0 0 33 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.881 109.4 52.6 -61.2 -40.6 18.4 19.8 29.4 59 73 A I H X S+ 0 0 16 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.919 112.5 44.9 -59.8 -45.9 16.4 20.6 32.6 60 74 A Y H X S+ 0 0 13 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.855 109.4 55.2 -71.6 -32.5 13.2 21.3 30.6 61 75 A E H X S+ 0 0 114 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.907 109.2 48.8 -63.6 -40.6 13.8 18.2 28.4 62 76 A T H X S+ 0 0 79 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.936 112.0 48.1 -62.3 -44.3 13.9 16.1 31.6 63 77 A R H X S+ 0 0 28 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.923 110.9 50.8 -63.0 -45.8 10.7 17.8 32.8 64 78 A D H X S+ 0 0 73 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.874 106.2 54.6 -63.3 -37.8 8.9 17.2 29.5 65 79 A A H X S+ 0 0 62 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.907 109.5 48.2 -62.2 -39.5 9.9 13.5 29.4 66 80 A K H X S+ 0 0 71 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.916 113.1 47.0 -65.5 -42.1 8.3 13.0 32.9 67 81 A V H X S+ 0 0 30 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.910 110.3 52.9 -69.0 -39.0 5.1 14.9 31.8 68 82 A K H X S+ 0 0 123 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.954 109.3 49.7 -59.1 -46.5 4.9 12.9 28.6 69 83 A L H X S+ 0 0 103 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.871 110.9 50.2 -60.7 -38.2 5.2 9.7 30.6 70 84 A A H X S+ 0 0 4 -4,-2.0 4,-2.9 2,-0.2 3,-0.4 0.928 109.3 50.4 -65.8 -44.5 2.4 10.9 32.9 71 85 A K H < S+ 0 0 156 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.875 114.0 46.1 -59.0 -39.3 0.1 11.8 29.9 72 86 A E H < S+ 0 0 116 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.718 127.5 24.4 -73.8 -25.8 0.7 8.3 28.5 73 87 A T H < S+ 0 0 91 -4,-1.2 2,-0.3 -3,-0.4 -2,-0.2 0.651 112.6 50.3-118.6 -15.5 0.1 6.4 31.7 74 88 A L < - 0 0 72 -4,-2.9 2,-0.3 -5,-0.2 -1,-0.1 -0.813 48.2-169.3-134.3 160.2 -2.1 8.4 34.2 75 89 A T >> - 0 0 115 -2,-0.3 4,-1.1 -3,-0.0 3,-0.8 -0.930 52.7 -3.7-140.6 165.3 -5.3 10.4 34.5 76 90 A G H 3> S- 0 0 41 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.173 124.0 -5.7 60.4-136.5 -7.1 12.7 37.0 77 91 A D H 3> S+ 0 0 139 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.855 134.5 56.3 -61.6 -41.2 -5.5 13.4 40.3 78 92 A A H <> S+ 0 0 53 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.910 109.4 47.2 -56.6 -44.5 -2.6 10.9 39.7 79 93 A K H X S+ 0 0 71 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.939 112.2 48.8 -63.6 -48.6 -1.7 12.8 36.5 80 94 A Q H X S+ 0 0 111 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.892 110.2 52.5 -60.4 -38.1 -1.8 16.2 38.2 81 95 A E H X S+ 0 0 116 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.911 109.2 48.6 -64.5 -39.9 0.3 14.9 41.0 82 96 A A H X S+ 0 0 34 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.887 111.7 49.5 -66.4 -36.4 3.0 13.6 38.6 83 97 A V H X S+ 0 0 40 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 111.1 50.3 -66.4 -45.2 3.0 16.9 36.7 84 98 A K H X S+ 0 0 140 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.916 111.0 49.2 -56.5 -44.6 3.4 18.7 40.1 85 99 A A H X S+ 0 0 41 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 109.7 50.7 -66.5 -38.6 6.3 16.5 41.0 86 100 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.899 110.5 49.8 -64.9 -38.7 8.0 17.0 37.7 87 101 A E H X S+ 0 0 67 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.881 110.7 49.4 -67.3 -37.6 7.6 20.8 38.1 88 102 A A H X S+ 0 0 59 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.916 110.8 50.2 -64.9 -42.6 9.1 20.6 41.7 89 103 A E H X S+ 0 0 98 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.888 111.0 50.1 -64.4 -36.8 12.0 18.5 40.3 90 104 A K H X S+ 0 0 30 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.940 111.1 47.4 -64.1 -47.5 12.5 21.2 37.6 91 105 A D H X S+ 0 0 84 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.874 110.2 54.3 -64.7 -35.5 12.5 24.0 40.1 92 106 A A H X S+ 0 0 25 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.920 107.7 48.8 -59.5 -44.2 14.9 22.0 42.2 93 107 A A H X S+ 0 0 28 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.902 111.3 51.0 -65.8 -38.8 17.3 21.7 39.3 94 108 A L H X S+ 0 0 15 -4,-2.4 4,-1.5 2,-0.2 3,-0.5 0.940 111.6 47.6 -61.5 -45.9 17.0 25.4 38.7 95 109 A Y H X S+ 0 0 161 -4,-2.8 4,-0.6 1,-0.2 3,-0.4 0.929 109.6 52.3 -59.1 -46.5 17.8 26.1 42.4 96 110 A R H < S+ 0 0 197 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.754 121.7 30.8 -64.6 -29.1 20.8 23.8 42.4 97 111 A T H X S+ 0 0 41 -4,-1.3 4,-0.7 -3,-0.5 -1,-0.2 0.460 96.4 87.2-106.3 -7.8 22.3 25.5 39.3 98 112 A H H >< S+ 0 0 19 -4,-1.5 3,-0.6 -3,-0.4 -2,-0.1 0.889 87.9 48.2 -67.8 -41.0 21.2 29.1 39.6 99 113 A F T 3X S+ 0 0 124 -4,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.756 100.3 63.6 -78.2 -24.4 23.9 30.5 41.8 100 114 A A H 3> S+ 0 0 51 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.764 93.2 66.7 -67.2 -26.5 26.9 29.1 39.9 101 115 A F H S+ 0 0 33 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.865 115.1 60.3 -70.5 -28.0 26.7 34.6 38.3 103 117 A A H < S+ 0 0 50 -4,-1.5 4,-0.3 2,-0.2 -2,-0.2 0.952 109.9 41.1 -55.2 -50.5 29.5 33.0 40.3 104 118 A D H >< S+ 0 0 77 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.915 114.3 52.1 -64.5 -42.9 31.2 32.0 37.0 105 119 A L H >X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.3 3,-2.0 0.845 98.4 67.3 -61.8 -34.5 30.3 35.4 35.3 106 120 A S T 3< S+ 0 0 67 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.601 84.5 69.9 -67.0 -13.3 31.9 37.2 38.2 107 121 A L T <4 S+ 0 0 124 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.675 120.5 17.0 -71.1 -21.4 35.3 36.0 37.3 108 122 A Y T <4 S+ 0 0 78 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.586 122.8 53.6-119.0 -25.0 35.0 38.3 34.2 109 123 A L < - 0 0 9 -4,-2.4 -1,-0.2 -68,-0.0 2,-0.1 -0.876 67.1-130.1-126.4 148.0 32.2 40.8 34.9 110 124 A D > - 0 0 89 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.268 44.9 -89.8 -84.4 176.3 31.3 43.3 37.6 111 125 A A H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.890 126.8 49.6 -58.0 -44.3 27.9 43.5 39.2 112 126 A K H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 111.7 48.4 -59.1 -43.2 26.5 46.0 36.6 113 127 A Q H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.859 109.0 53.8 -66.3 -38.6 27.7 43.9 33.7 114 128 A I H X S+ 0 0 20 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.927 107.6 51.1 -63.9 -44.1 26.2 40.7 35.3 115 129 A D H X S+ 0 0 67 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.901 106.6 54.4 -57.9 -39.0 22.9 42.6 35.5 116 130 A A H X S+ 0 0 39 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.861 106.5 51.6 -63.6 -36.2 23.2 43.5 31.8 117 131 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.924 109.0 50.3 -61.4 -48.0 23.6 39.8 31.0 118 132 A K H < S+ 0 0 27 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.938 112.3 47.5 -54.8 -43.1 20.4 39.0 33.0 119 133 A D H ><>S+ 0 0 37 -4,-2.6 5,-2.4 1,-0.2 3,-1.4 0.918 109.1 54.4 -64.8 -42.3 18.7 41.8 31.0 120 134 A G H ><5S+ 0 0 32 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.859 107.9 49.1 -58.7 -37.5 20.1 40.4 27.7 121 135 A X T 3<5S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.529 116.4 44.3 -77.1 -7.9 18.6 36.9 28.6 122 136 A T T X 5S- 0 0 0 -3,-1.4 3,-1.9 -4,-0.5 -1,-0.2 -0.019 112.8-108.0-132.4 25.7 15.2 38.5 29.3 123 137 A Y T < 5 - 0 0 107 -3,-0.7 -3,-0.2 1,-0.3 -4,-0.1 0.658 61.9 -79.7 61.0 23.4 14.7 41.0 26.4 124 138 A G T 3> + 0 0 13 -3,-1.9 4,-2.6 -6,-0.3 5,-0.3 0.833 60.8 64.7 -60.9 -30.4 11.7 43.7 30.0 126 140 A V H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.971 109.7 34.0 -58.5 -56.2 12.8 45.2 33.4 127 141 A X H > S+ 0 0 72 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.876 116.8 54.7 -72.6 -34.5 13.8 48.6 32.1 128 142 A V H X S+ 0 0 103 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.950 114.8 41.3 -57.8 -44.7 11.1 48.7 29.4 129 143 A T H X S+ 0 0 15 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.895 115.9 48.7 -73.8 -41.6 8.4 48.0 32.0 130 144 A Y H X S+ 0 0 45 -4,-2.6 4,-2.3 -5,-0.3 5,-0.3 0.956 113.2 47.1 -62.9 -49.7 9.9 50.4 34.7 131 145 A K H X S+ 0 0 110 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.907 113.1 49.0 -61.1 -41.8 10.3 53.3 32.2 132 146 A A H X S+ 0 0 35 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.893 109.9 51.6 -62.7 -42.1 6.8 52.8 30.9 133 147 A T H X S+ 0 0 24 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.922 112.7 44.0 -64.2 -42.8 5.3 52.7 34.4 134 148 A V H < S+ 0 0 35 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.823 112.6 53.6 -74.2 -27.3 7.1 55.9 35.5 135 149 A D H < S+ 0 0 56 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.898 111.1 46.7 -68.7 -38.2 6.1 57.6 32.2 136 150 A X H < S+ 0 0 14 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.886 128.6 23.9 -69.5 -37.3 2.5 56.6 32.8 137 151 A I >< + 0 0 0 -4,-2.2 3,-1.5 -5,-0.2 -1,-0.3 -0.740 69.1 174.1-129.7 80.9 2.5 57.9 36.5 138 152 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.741 75.1 60.0 -70.2 -15.3 5.3 60.5 36.8 139 153 A T T 3 S+ 0 0 112 2,-0.0 3,-0.1 3,-0.0 -5,-0.1 0.098 71.6 142.5 -96.0 24.0 4.3 61.4 40.4 140 154 A L < - 0 0 8 -3,-1.5 2,-0.1 -6,-0.2 -6,-0.0 -0.347 57.0-109.3 -57.7 146.2 4.9 58.0 41.8 141 155 A K >> - 0 0 71 1,-0.1 4,-2.5 4,-0.0 3,-0.7 -0.392 22.9-114.1 -73.1 152.7 6.4 58.1 45.3 142 156 A E H 3> S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.872 118.8 54.8 -54.5 -38.1 10.0 57.0 45.7 143 157 A E H 3> S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.816 108.3 49.0 -60.9 -37.0 8.8 54.0 47.8 144 158 A E H <> S+ 0 0 4 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.916 110.5 49.3 -75.6 -42.8 6.5 53.0 45.0 145 159 A K H X S+ 0 0 42 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.924 111.0 51.1 -59.6 -44.6 9.2 53.2 42.4 146 160 A A H X S+ 0 0 63 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.898 111.3 46.6 -59.7 -43.2 11.5 51.1 44.6 147 161 A Q H X S+ 0 0 67 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.883 111.8 51.3 -67.5 -41.8 8.9 48.4 45.1 148 162 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.952 112.6 45.6 -60.1 -48.6 8.1 48.3 41.4 149 163 A X H X S+ 0 0 54 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.924 110.4 54.4 -62.2 -42.4 11.8 47.9 40.5 150 164 A A H X S+ 0 0 51 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.911 110.0 47.0 -59.6 -44.2 12.3 45.3 43.2 151 165 A W H X S+ 0 0 36 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.899 111.5 50.3 -63.5 -39.0 9.4 43.2 41.8 152 166 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.895 111.1 49.1 -65.4 -40.3 10.7 43.5 38.2 153 167 A V H X S+ 0 0 50 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.882 111.3 49.8 -66.7 -37.6 14.2 42.4 39.4 154 168 A E H X S+ 0 0 77 -4,-2.2 4,-1.4 -5,-0.2 3,-0.3 0.938 109.7 51.7 -61.5 -48.5 12.7 39.4 41.2 155 169 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 3,-0.3 0.903 106.7 54.7 -54.5 -42.2 10.7 38.6 38.0 156 170 A R H X S+ 0 0 11 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.855 99.5 59.7 -61.2 -37.7 13.9 38.7 36.0 157 171 A E H < S+ 0 0 51 -4,-1.6 4,-0.3 -3,-0.3 -1,-0.2 0.898 114.3 37.4 -62.3 -36.3 15.6 36.2 38.3 158 172 A F H >< S+ 0 0 122 -4,-1.4 3,-1.2 -3,-0.3 4,-0.2 0.908 114.1 54.9 -78.3 -41.8 12.9 33.7 37.4 159 173 A A H >< S+ 0 0 0 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.860 98.5 61.5 -61.5 -39.6 12.6 34.7 33.8 160 174 A X T 3< S+ 0 0 4 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.732 107.9 46.5 -60.1 -21.7 16.3 34.2 33.1 161 175 A D T < S+ 0 0 10 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.355 91.2 114.9 -95.3 -3.8 15.8 30.5 34.0 162 176 A A S < S- 0 0 14 -3,-1.9 6,-0.1 -4,-0.2 -106,-0.1 -0.260 72.4-117.4 -75.4 166.0 12.6 30.1 31.9 163 177 A E S S- 0 0 69 1,-0.1 2,-0.3 -107,-0.0 -1,-0.1 0.773 77.5 -22.8 -75.4 -32.3 12.3 27.8 28.9 164 178 A N S > S- 0 0 63 -5,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.924 80.0 -70.4-166.9-179.1 11.6 30.2 26.1 165 179 A S H > S+ 0 0 54 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.876 124.9 52.9 -60.7 -43.4 10.2 33.6 25.2 166 180 A N H > S+ 0 0 127 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 112.9 43.5 -58.0 -47.5 6.6 32.7 26.1 167 181 A K H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.832 111.7 54.2 -71.9 -33.5 7.5 31.5 29.5 168 182 A K H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.942 109.7 47.6 -62.9 -46.8 9.8 34.5 30.1 169 183 A H H X S+ 0 0 92 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.859 109.1 55.1 -63.6 -36.1 7.0 36.9 29.3 170 184 A A H X S+ 0 0 63 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.885 104.7 52.8 -62.0 -38.8 4.7 34.9 31.6 171 185 A A H X S+ 0 0 23 -4,-1.8 4,-1.2 2,-0.2 3,-0.2 0.945 112.7 43.6 -62.0 -46.3 7.1 35.3 34.5 172 186 A F H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.895 108.6 60.7 -64.3 -39.2 7.2 39.1 34.0 173 187 A G H X S+ 0 0 32 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.874 98.3 56.0 -58.6 -39.1 3.4 39.1 33.5 174 188 A K H X S+ 0 0 133 -4,-1.8 4,-1.8 -3,-0.2 -1,-0.2 0.924 112.5 41.5 -53.3 -50.7 2.9 37.7 37.0 175 189 A Y H X S+ 0 0 8 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.846 110.7 56.7 -75.7 -28.0 4.8 40.6 38.6 176 190 A K H X S+ 0 0 104 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.915 107.2 50.7 -62.7 -40.0 3.2 43.2 36.2 177 191 A G H X S+ 0 0 41 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.923 109.6 49.8 -59.3 -43.6 -0.1 41.9 37.6 178 192 A R H X S+ 0 0 87 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.891 110.6 49.7 -61.4 -43.5 1.2 42.4 41.1 179 193 A I H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.919 110.7 50.2 -60.5 -44.0 2.3 46.0 40.2 180 194 A N H X S+ 0 0 74 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.963 113.7 44.3 -62.4 -50.5 -1.1 46.8 38.7 181 195 A N H X S+ 0 0 96 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.908 111.5 54.6 -60.8 -42.1 -2.9 45.5 41.8 182 196 A Y H X S+ 0 0 37 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.917 108.9 47.4 -57.2 -47.1 -0.5 47.3 44.1 183 197 A L H <>S+ 0 0 5 -4,-2.4 5,-2.2 1,-0.2 -1,-0.2 0.882 110.8 50.3 -67.6 -38.9 -1.0 50.7 42.4 184 198 A S H ><5S+ 0 0 56 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.910 110.1 50.7 -65.5 -39.9 -4.8 50.4 42.5 185 199 A K H 3<5S+ 0 0 175 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.772 104.7 59.5 -68.8 -20.9 -4.7 49.5 46.2 186 200 A R T 3<5S- 0 0 94 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.369 126.9 -97.2 -91.2 12.8 -2.5 52.6 46.7 187 201 A G T < 5S+ 0 0 68 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.442 74.9 141.3 95.5 2.8 -5.2 54.8 45.4 188 202 A Y < - 0 0 40 -5,-2.2 2,-1.0 1,-0.1 -1,-0.3 -0.568 49.0-137.4 -77.5 138.6 -4.2 55.4 41.7 189 203 A D > - 0 0 90 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 -0.834 21.8-172.6 -92.7 92.1 -7.0 55.5 39.2 190 204 A L H > S+ 0 0 22 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.827 79.1 55.7 -64.0 -32.5 -5.3 53.4 36.5 191 205 A V H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.963 114.3 41.0 -60.5 -50.4 -8.0 54.0 33.9 192 206 A K H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.903 115.3 49.6 -65.2 -42.5 -7.6 57.7 34.2 193 207 A E H X S+ 0 0 48 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.915 112.7 48.1 -64.6 -41.9 -3.7 57.6 34.5 194 208 A R H X S+ 0 0 91 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.918 111.0 49.8 -66.9 -42.4 -3.5 55.4 31.4 195 209 A K H X S+ 0 0 75 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.927 112.7 46.9 -61.4 -45.1 -5.9 57.6 29.3 196 210 A A H X S+ 0 0 44 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 110.0 54.9 -67.3 -37.0 -3.9 60.8 30.3 197 211 A W H X S+ 0 0 32 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.935 105.0 51.7 -58.9 -49.1 -0.6 59.0 29.4 198 212 A Y H X S+ 0 0 112 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.888 108.9 51.9 -56.8 -37.2 -1.8 58.1 25.9 199 213 A E H X S+ 0 0 120 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.928 109.4 49.1 -63.7 -44.5 -2.7 61.8 25.4 200 214 A R H X S+ 0 0 68 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.900 108.9 53.0 -61.7 -40.1 0.8 62.8 26.5 201 215 A I H <>S+ 0 0 45 -4,-2.7 5,-2.4 1,-0.2 4,-0.4 0.936 112.4 45.0 -62.4 -43.1 2.4 60.3 24.1 202 216 A K H ><5S+ 0 0 102 -4,-2.1 3,-1.3 4,-0.2 -2,-0.2 0.916 110.1 54.6 -64.0 -43.8 0.3 61.7 21.3 203 217 A A H 3<5S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.839 108.7 48.5 -61.3 -32.1 1.1 65.3 22.3 204 218 A R T 3<5S- 0 0 143 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.451 122.5-102.2 -89.6 -0.1 4.9 64.6 22.2 205 219 A G T < 5 0 0 75 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.906 360.0 360.0 78.3 44.8 4.8 62.9 18.8 206 220 A G < 0 0 85 -5,-2.4 -4,-0.2 -6,-0.1 -5,-0.1 0.169 360.0 360.0-109.6 360.0 5.0 59.3 19.9