==== 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 TRANSFERASE 11-SEP-09 3JSZ . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR W.LU,J.DU,Y.BELYI,M.STAHL,T.ZIVILIKIDIS,S.GERHARDT,K.AKTORIE . 520 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 4 2 0 1 4 2 2 2 0 5 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 2 0 0 0 0 1 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 1 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 6 A S > 0 0 125 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 167.6 37.5 -40.2 11.2 2 7 A N H > + 0 0 77 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.781 360.0 63.0 -66.3 -29.1 38.4 -36.8 12.6 3 8 A E H > S+ 0 0 164 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.942 106.6 42.0 -60.7 -50.1 36.3 -35.2 9.9 4 9 A L H > S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.884 114.7 52.6 -64.1 -40.3 33.1 -36.8 11.1 5 10 A S H X S+ 0 0 51 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.906 110.5 47.1 -60.1 -45.6 34.1 -36.1 14.7 6 11 A K H X S+ 0 0 44 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.931 112.1 49.5 -61.7 -50.2 34.6 -32.4 13.9 7 12 A L H X S+ 0 0 19 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 111.7 50.5 -52.7 -55.1 31.3 -32.2 12.1 8 13 A R H X S+ 0 0 73 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.965 110.1 48.3 -49.2 -41.3 29.6 -33.9 15.1 9 14 A X H X S+ 0 0 133 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.889 110.4 51.1 -69.0 -42.0 31.0 -31.5 17.6 10 15 A R H X S+ 0 0 81 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.920 110.2 51.0 -60.3 -42.6 30.1 -28.5 15.6 11 16 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.914 109.9 47.5 -63.1 -45.8 26.5 -29.7 15.3 12 17 A F H <>S+ 0 0 35 -4,-2.3 5,-2.8 2,-0.2 6,-0.2 0.891 113.8 48.7 -65.7 -39.0 26.1 -30.3 19.0 13 18 A S H ><5S+ 0 0 74 -4,-2.1 3,-2.0 -5,-0.2 -2,-0.2 0.954 108.9 53.3 -61.6 -50.9 27.5 -26.9 19.8 14 19 A A H 3<5S+ 0 0 6 -4,-2.9 30,-0.5 1,-0.3 -2,-0.2 0.892 110.4 47.3 -53.2 -44.1 25.3 -25.2 17.2 15 20 A L T ><5S- 0 0 2 -4,-2.0 3,-1.6 -5,-0.2 -1,-0.3 0.109 116.1-112.3 -92.6 23.7 22.1 -26.8 18.8 16 21 A N T < 5 - 0 0 94 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.760 53.5 -81.0 63.8 27.4 23.2 -25.8 22.3 17 22 A H T 3 - 0 0 76 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.776 34.4-173.4 -86.8 103.3 18.1 -36.8 20.9 23 28 A L H > S+ 0 0 6 -2,-0.9 4,-3.1 -5,-0.4 5,-0.2 0.775 81.4 61.1 -70.2 -25.9 20.9 -34.9 19.0 24 29 A H H > S+ 0 0 100 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.961 108.1 42.5 -63.8 -50.0 22.7 -38.2 18.2 25 30 A T H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.926 116.4 49.2 -59.8 -45.7 19.7 -39.5 16.3 26 31 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.946 113.3 45.8 -61.6 -49.2 19.2 -36.2 14.7 27 32 A F H >X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 3,-0.8 0.935 112.6 50.5 -57.1 -50.9 22.8 -35.8 13.7 28 33 A D H 3< S+ 0 0 72 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.870 110.9 49.8 -56.9 -37.5 23.0 -39.4 12.4 29 34 A N H 3< S+ 0 0 68 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.674 119.5 36.1 -77.9 -16.8 19.8 -38.8 10.3 30 35 A L H X< S+ 0 0 4 -4,-1.2 3,-2.1 -3,-0.8 -2,-0.2 0.604 89.5 92.6-104.2 -17.2 21.2 -35.5 8.7 31 36 A K G >< S+ 0 0 83 -4,-2.0 3,-1.4 1,-0.3 -2,-0.1 0.733 71.8 70.4 -62.2 -25.2 24.9 -36.3 8.3 32 37 A S G 3 S+ 0 0 122 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.783 115.7 26.2 -58.4 -27.9 24.6 -37.6 4.7 33 38 A N G < S+ 0 0 61 -3,-2.1 2,-0.5 2,-0.0 -1,-0.3 -0.015 100.8 110.8-124.5 30.6 23.9 -34.0 3.6 34 39 A L < + 0 0 12 -3,-1.4 2,-0.3 -7,-0.1 -27,-0.1 -0.911 36.2 173.0-116.0 129.0 25.7 -32.0 6.4 35 40 A T >> - 0 0 52 -2,-0.5 4,-1.4 1,-0.1 3,-0.6 -0.869 45.7-110.3-124.5 160.5 28.8 -30.0 6.0 36 41 A L H 3> S+ 0 0 88 -2,-0.3 4,-0.9 1,-0.2 3,-0.1 0.870 117.9 60.0 -54.1 -40.1 30.7 -27.7 8.4 37 42 A G H 34 S+ 0 0 30 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.830 104.1 48.4 -59.2 -37.2 29.6 -24.7 6.2 38 43 A S H X4 S+ 0 0 0 -3,-0.6 3,-1.5 1,-0.2 -1,-0.2 0.849 99.4 67.2 -71.8 -34.7 25.9 -25.5 6.7 39 44 A I H >< S+ 0 0 0 -4,-1.4 3,-1.9 1,-0.3 4,-0.4 0.813 87.2 67.6 -63.3 -30.0 26.2 -25.8 10.5 40 45 A E G >< S+ 0 0 88 -4,-0.9 3,-1.1 1,-0.3 -1,-0.3 0.865 97.0 55.4 -51.6 -36.6 27.0 -22.1 10.9 41 46 A H G < S+ 0 0 8 -3,-1.5 7,-0.5 -4,-0.4 8,-0.3 0.345 100.8 58.4 -87.7 6.1 23.4 -21.4 9.7 42 47 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 6,-0.1 -2,-0.2 0.394 85.7 112.2-102.8 -5.3 21.9 -23.6 12.5 43 48 A Q S X S- 0 0 68 -3,-1.1 3,-2.2 -4,-0.4 6,-0.4 -0.236 83.9 -78.2 -75.6 159.0 23.6 -21.6 15.3 44 49 A E T 3 S+ 0 0 139 -30,-0.5 -1,-0.2 1,-0.3 3,-0.1 -0.252 121.3 41.4 -51.5 133.2 21.9 -19.4 18.0 45 50 A G T 3 S+ 0 0 52 1,-0.5 -1,-0.3 -3,-0.1 424,-0.2 0.159 94.6 108.1 105.5 -16.4 21.0 -16.1 16.3 46 51 A S S <> S- 0 0 8 -3,-2.2 4,-1.7 1,-0.1 -1,-0.5 -0.507 77.5-123.6 -91.1 159.9 19.8 -17.8 13.1 47 52 A V H > S+ 0 0 0 2,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.905 113.5 56.3 -62.7 -42.5 16.3 -18.2 11.8 48 53 A T H > S+ 0 0 0 -7,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.926 107.4 47.5 -59.9 -44.4 16.8 -21.9 11.7 49 54 A Y H > S+ 0 0 19 -6,-0.4 4,-2.3 -8,-0.3 -1,-0.2 0.909 109.7 53.8 -60.8 -41.3 17.7 -22.1 15.3 50 55 A A H X S+ 0 0 31 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.887 109.4 47.8 -63.1 -40.3 14.7 -19.9 16.2 51 56 A I H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 3,-0.2 0.923 109.7 53.1 -65.2 -44.8 12.4 -22.3 14.4 52 57 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.914 105.3 55.4 -56.7 -43.5 14.0 -25.3 16.2 53 58 A Q H < S+ 0 0 56 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.859 110.1 44.4 -62.6 -35.2 13.4 -23.7 19.6 54 59 A E H >< S+ 0 0 122 -4,-1.4 3,-1.0 -3,-0.2 4,-0.4 0.875 110.7 54.3 -78.2 -36.4 9.7 -23.3 19.0 55 60 A L H >< S+ 0 0 18 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.870 98.8 64.4 -62.4 -32.6 9.5 -26.9 17.6 56 61 A L T 3< S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.756 97.9 55.9 -59.2 -25.1 11.1 -28.2 20.8 57 62 A K T < S+ 0 0 165 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.596 100.8 71.3 -85.1 -14.0 8.0 -26.9 22.7 58 63 A G S X S- 0 0 40 -3,-1.4 3,-0.6 -4,-0.4 -3,-0.0 -0.494 91.5 -87.0 -99.6 169.8 5.5 -28.9 20.7 59 64 A A T 3 S+ 0 0 84 1,-0.2 -1,-0.2 -2,-0.2 5,-0.1 -0.252 107.8 25.1 -67.7 161.2 4.7 -32.6 20.4 60 65 A D T 3> S+ 0 0 108 1,-0.1 4,-2.5 3,-0.1 5,-0.2 0.788 75.3 156.9 55.5 34.2 6.6 -34.9 18.0 61 66 A A H <> + 0 0 13 -3,-0.6 4,-2.7 1,-0.2 5,-0.3 0.858 63.1 57.9 -61.0 -41.1 9.6 -32.5 18.2 62 67 A Q H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.936 114.7 36.5 -54.7 -50.5 12.2 -35.2 17.2 63 68 A K H > S+ 0 0 82 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 116.6 51.5 -72.4 -42.6 10.5 -36.0 13.9 64 69 A K H X S+ 0 0 97 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.892 111.8 47.5 -63.8 -39.6 9.3 -32.4 13.1 65 70 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.907 111.9 50.1 -68.9 -41.0 12.8 -31.0 13.7 66 71 A E H X S+ 0 0 19 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.928 112.6 46.6 -61.6 -44.4 14.4 -33.7 11.5 67 72 A S H X S+ 0 0 63 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.921 114.4 48.2 -65.1 -42.0 11.9 -33.1 8.7 68 73 A F H X S+ 0 0 5 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.963 114.7 43.7 -60.2 -54.1 12.4 -29.4 8.9 69 74 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.854 108.7 56.8 -65.6 -37.1 16.2 -29.5 8.9 70 75 A K H X S+ 0 0 95 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.960 116.2 36.6 -57.6 -50.3 16.5 -32.1 6.1 71 76 A G H X S+ 0 0 16 -4,-1.7 4,-2.8 -5,-0.2 5,-0.4 0.897 116.1 52.4 -68.1 -44.1 14.6 -29.9 3.8 72 77 A A H X>S+ 0 0 0 -4,-2.9 5,-3.0 -5,-0.2 4,-1.7 0.916 115.0 42.6 -61.9 -42.5 16.1 -26.6 5.0 73 78 A I H <>S+ 0 0 3 -4,-2.7 5,-2.4 3,-0.2 -2,-0.2 0.949 119.6 42.0 -67.5 -50.0 19.6 -27.9 4.5 74 79 A K H <5S+ 0 0 135 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.891 127.4 28.1 -64.8 -42.1 18.9 -29.6 1.1 75 80 A N H <5S+ 0 0 102 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.710 135.9 10.2 -98.9 -23.4 16.8 -26.9 -0.4 76 81 A V T X5S+ 0 0 17 -4,-1.7 4,-1.6 -5,-0.4 -3,-0.2 0.730 122.1 41.1-124.2 -58.0 17.9 -23.6 1.2 77 82 A I H > S+ 0 0 57 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.888 113.3 50.0 -60.1 -36.0 22.6 -24.3 -2.0 80 85 A G H X>S+ 0 0 3 -4,-1.6 5,-2.7 2,-0.2 4,-0.8 0.891 108.5 51.1 -65.7 -42.8 23.1 -20.9 -0.3 81 86 A V H ><5S+ 0 0 39 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.939 110.1 49.2 -60.2 -46.8 26.5 -21.8 1.1 82 87 A I H 3<5S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.805 110.0 51.9 -62.7 -32.5 27.8 -23.1 -2.3 83 88 A K H 3<5S- 0 0 67 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.587 119.7-108.7 -81.4 -13.8 26.6 -19.8 -4.0 84 89 A G T <<5 + 0 0 11 -3,-1.0 174,-0.5 -4,-0.8 -3,-0.2 0.681 58.2 165.3 90.4 22.1 28.4 -17.7 -1.4 85 90 A L < - 0 0 13 -5,-2.7 -1,-0.2 172,-0.2 174,-0.0 -0.381 32.6-124.0 -66.8 147.9 25.3 -16.3 0.4 86 91 A T > - 0 0 17 394,-0.2 4,-2.6 172,-0.1 5,-0.2 -0.371 28.1-101.9 -81.0 166.9 25.8 -14.7 3.8 87 92 A P H > S+ 0 0 54 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.879 124.6 52.9 -55.2 -38.9 24.1 -15.8 7.0 88 93 A N H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.915 110.3 47.1 -61.0 -45.2 21.7 -12.8 6.6 89 94 A E H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 113.5 47.4 -66.4 -42.1 20.8 -13.9 3.1 90 95 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.897 109.2 55.1 -64.2 -41.2 20.4 -17.6 4.2 91 96 A N H X S+ 0 0 9 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.918 109.8 46.8 -56.6 -44.7 18.2 -16.5 7.1 92 97 A W H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.926 111.7 50.2 -63.3 -45.3 15.9 -14.6 4.7 93 98 A N H X S+ 0 0 27 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.858 110.9 49.3 -65.0 -34.7 15.7 -17.5 2.4 94 99 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.945 110.4 50.3 -66.3 -48.0 14.8 -19.9 5.2 95 100 A A H < S+ 0 0 0 -4,-2.5 3,-0.2 1,-0.2 7,-0.2 0.909 112.3 48.2 -55.4 -42.4 12.1 -17.5 6.5 96 101 A K H < S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.861 111.8 48.9 -66.1 -38.7 10.7 -17.3 2.9 97 102 A A H < S+ 0 0 48 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.708 118.8 39.1 -72.2 -24.0 10.8 -21.1 2.5 98 103 A Y >X + 0 0 29 -4,-1.6 3,-2.1 -3,-0.2 4,-1.2 -0.447 58.8 152.6-130.0 61.2 9.0 -21.8 5.9 99 104 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.770 75.4 64.4 -60.9 -25.6 6.3 -19.1 6.4 100 105 A E T 34 S+ 0 0 124 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.642 113.1 33.6 -68.2 -17.4 4.5 -21.7 8.6 101 106 A Y T <4 S+ 0 0 85 -3,-2.1 2,-0.4 1,-0.2 -1,-0.2 0.485 121.1 43.2-114.9 -10.9 7.4 -21.5 11.0 102 107 A Y < - 0 0 37 -4,-1.2 2,-0.4 -7,-0.2 -1,-0.2 -0.911 68.5-145.7-147.6 113.6 8.6 -17.9 10.8 103 108 A E + 0 0 192 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.630 35.8 153.1 -79.4 127.6 6.4 -14.8 10.7 104 109 A H - 0 0 59 -2,-0.4 2,-0.1 -5,-0.1 -2,-0.1 -0.994 40.0-116.2-153.6 155.4 7.8 -12.1 8.5 105 110 A E - 0 0 139 -2,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.356 45.2 -90.7 -81.4 166.9 6.8 -9.1 6.4 106 111 A K - 0 0 174 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.307 50.8 -83.7 -75.5 162.7 7.5 -8.9 2.6 107 112 A L - 0 0 24 1,-0.1 365,-0.2 -2,-0.0 -1,-0.1 -0.535 53.6-125.6 -63.4 120.4 10.6 -7.4 1.0 108 113 A P - 0 0 29 0, 0.0 2,-0.8 0, 0.0 365,-0.1 -0.305 21.7-102.3 -69.2 161.0 10.1 -3.7 0.9 109 114 A D + 0 0 118 7,-0.1 2,-0.4 2,-0.0 9,-0.1 -0.745 49.7 170.2 -85.0 107.1 10.4 -1.7 -2.3 110 115 A V - 0 0 7 -2,-0.8 7,-2.6 7,-0.3 2,-0.5 -0.987 21.8-150.7-124.9 129.0 13.8 0.0 -2.2 111 116 A T E +A 116 0A 66 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.878 17.7 174.2-103.8 129.5 15.4 1.9 -5.2 112 117 A F E > S-A 115 0A 0 3,-3.1 3,-1.1 -2,-0.5 341,-0.2 -0.981 72.9 -14.0-137.0 116.6 19.2 2.0 -5.4 113 118 A G T 3 S- 0 0 4 339,-2.2 193,-0.2 -2,-0.4 340,-0.1 0.867 128.8 -53.5 57.3 39.6 21.0 3.5 -8.4 114 119 A G T 3 S+ 0 0 71 338,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.640 120.1 107.5 72.3 16.6 17.7 3.4 -10.4 115 120 A F E < S-A 112 0A 21 -3,-1.1 -3,-3.1 188,-0.0 2,-0.5 -0.964 72.9-122.2-130.2 138.5 17.2 -0.3 -9.7 116 121 A K E -A 111 0A 97 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.1 -0.741 39.7-115.2 -80.2 123.1 14.8 -2.1 -7.4 117 122 A V - 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0 0 0 -33,-2.9 2,-1.8 -2,-0.5 -170,-0.2 -0.397 20.1-117.1 -74.3 147.0 28.8 -7.8 -10.8 296 301 A N S S+ 0 0 74 -172,-2.1 2,-0.3 -2,-0.1 -172,-0.2 -0.633 81.4 104.9 -76.5 83.0 29.4 -9.9 -13.9 297 302 A D S >> S- 0 0 50 -2,-1.8 3,-1.5 -62,-0.3 4,-0.6 -0.979 81.7-117.8-164.2 147.5 26.1 -8.7 -15.4 298 303 A R H 3> S+ 0 0 207 -2,-0.3 4,-1.1 1,-0.3 3,-0.5 0.796 110.8 66.2 -61.3 -30.6 24.8 -6.4 -18.1 299 304 A E H 3> S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.710 87.1 70.3 -66.2 -21.3 23.0 -4.4 -15.4 300 305 A T H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.945 100.4 45.0 -60.2 -47.8 26.4 -3.3 -14.0 301 306 A Q H X S+ 0 0 74 -4,-0.6 4,-2.1 -3,-0.5 -1,-0.2 0.875 111.8 53.9 -64.2 -35.9 27.0 -1.1 -17.0 302 307 A V H X S+ 0 0 80 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.950 111.9 42.7 -63.9 -48.1 23.5 0.3 -16.8 303 308 A X H X S+ 0 0 5 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.915 112.4 54.5 -65.9 -41.1 23.9 1.3 -13.2 304 309 A X H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.879 103.8 54.9 -60.8 -37.5 27.3 2.7 -13.8 305 310 A D H X S+ 0 0 84 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.885 103.6 55.3 -63.2 -37.9 26.0 4.9 -16.6 306 311 A T H X S+ 0 0 56 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.927 111.8 44.2 -60.4 -42.7 23.4 6.5 -14.3 307 312 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.924 111.9 52.5 -68.3 -43.4 26.2 7.4 -11.9 308 313 A A H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.897 106.8 52.6 -59.6 -41.0 28.5 8.6 -14.7 309 314 A L H X S+ 0 0 88 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.903 110.4 49.4 -63.8 -37.1 25.7 10.9 -16.1 310 315 A H H X S+ 0 0 63 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.933 110.6 48.4 -65.5 -47.2 25.4 12.4 -12.6 311 316 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.894 110.1 52.4 -60.4 -40.7 29.1 13.0 -12.2 312 317 A K H X S+ 0 0 69 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.929 108.2 51.6 -60.6 -42.8 29.3 14.6 -15.6 313 318 A N H X S+ 0 0 109 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.879 109.9 49.7 -60.9 -39.9 26.4 16.9 -14.6 314 319 A I H < S+ 0 0 10 -4,-2.0 3,-0.3 2,-0.2 -2,-0.2 0.939 110.9 48.1 -66.4 -47.7 28.3 17.9 -11.4 315 320 A Y H < S+ 0 0 14 -4,-2.5 28,-0.4 1,-0.2 -2,-0.2 0.890 110.9 51.9 -60.6 -37.4 31.6 18.7 -13.2 316 321 A D H < S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.801 132.5 12.0 -70.3 -30.6 29.7 20.8 -15.8 317 322 A D >X + 0 0 78 -4,-1.4 3,-0.6 -3,-0.3 4,-0.5 -0.660 69.3 168.3-146.7 84.4 28.0 22.8 -13.0 318 323 A P H 3> + 0 0 4 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.636 60.9 83.2 -75.9 -10.5 29.6 22.2 -9.6 319 324 A Y H 34 S+ 0 0 9 1,-0.2 4,-0.2 2,-0.2 18,-0.1 0.855 89.3 50.7 -69.4 -34.4 27.8 25.1 -7.8 320 325 A T H X4 S+ 0 0 87 -3,-0.6 3,-1.4 1,-0.2 -1,-0.2 0.930 109.7 50.2 -64.2 -45.6 24.6 23.2 -7.1 321 326 A A H 3< S+ 0 0 28 -4,-0.5 3,-0.3 1,-0.3 -2,-0.2 0.806 116.4 42.9 -63.1 -28.8 26.6 20.2 -5.6 322 327 A L T >< S+ 0 0 0 -4,-1.5 3,-2.2 1,-0.2 6,-0.4 0.331 79.5 111.4 -97.0 6.2 28.5 22.6 -3.4 323 328 A K T < S+ 0 0 125 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.743 82.6 41.2 -60.6 -27.4 25.5 24.8 -2.4 324 329 A D T 3 S+ 0 0 142 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.203 93.8 105.7-105.2 14.7 25.5 23.7 1.3 325 330 A T S X S- 0 0 14 -3,-2.2 3,-0.9 1,-0.1 4,-0.4 -0.529 82.8-111.0 -90.7 159.1 29.3 23.7 1.8 326 331 A P G > S+ 0 0 46 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.898 117.6 60.2 -52.2 -42.6 31.3 26.3 3.8 327 332 A L G > S+ 0 0 0 106,-0.3 3,-2.1 1,-0.3 6,-0.4 0.815 90.9 69.7 -58.3 -31.3 32.9 27.6 0.6 328 333 A A G < S+ 0 0 9 -3,-0.9 -1,-0.3 -6,-0.4 -5,-0.1 0.686 92.4 59.0 -62.4 -18.7 29.4 28.4 -0.7 329 334 A Q G < S+ 0 0 122 -3,-2.0 41,-0.4 -4,-0.4 -1,-0.3 0.432 89.3 99.8 -88.7 1.9 29.2 31.2 1.9 330 335 A T S <> S- 0 0 0 -3,-2.1 4,-1.8 -4,-0.2 37,-0.2 -0.570 76.1-130.1 -91.2 151.3 32.3 33.0 0.5 331 336 A A H > S+ 0 0 23 35,-1.4 4,-2.3 34,-0.3 35,-0.2 0.890 110.2 58.2 -58.7 -40.0 32.5 36.0 -1.8 332 337 A F H > S+ 0 0 31 33,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.910 104.7 49.5 -57.8 -46.7 34.9 34.1 -4.0 333 338 A F H > S+ 0 0 6 -6,-0.4 4,-2.6 32,-0.3 -1,-0.2 0.917 109.9 51.0 -60.5 -46.5 32.4 31.3 -4.6 334 339 A N H X S+ 0 0 77 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.896 112.1 46.7 -58.6 -42.7 29.7 33.7 -5.5 335 340 A R H X S+ 0 0 96 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.929 111.9 50.5 -63.7 -47.2 32.0 35.4 -8.1 336 341 A C H X>S+ 0 0 4 -4,-2.7 5,-2.3 1,-0.2 4,-1.3 0.887 109.5 51.6 -57.9 -40.4 33.1 32.1 -9.5 337 342 A E H <5S+ 0 0 93 -4,-2.6 3,-0.3 2,-0.2 -1,-0.2 0.922 112.1 45.1 -64.8 -45.8 29.5 31.0 -9.9 338 343 A E H <5S+ 0 0 179 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.876 117.0 46.0 -62.7 -38.8 28.5 34.2 -11.8 339 344 A E H <5S- 0 0 109 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.633 108.3-125.3 -79.5 -17.1 31.7 33.9 -13.9 340 345 A G T <5 + 0 0 57 -4,-1.3 -3,-0.2 -3,-0.3 -4,-0.1 0.845 41.4 179.0 69.9 37.2 31.1 30.2 -14.6 341 346 A K < - 0 0 69 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.1 -0.352 24.9-120.1 -64.1 148.5 34.6 29.2 -13.3 342 347 A N > - 0 0 66 1,-0.1 4,-2.1 -25,-0.1 5,-0.1 -0.293 29.1 -94.0 -87.1 175.9 35.3 25.4 -13.5 343 348 A I H > S+ 0 0 1 -28,-0.4 4,-2.5 1,-0.2 5,-0.2 0.837 123.7 54.7 -59.9 -33.5 36.1 23.1 -10.5 344 349 A F H > S+ 0 0 21 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.934 108.4 47.6 -66.7 -44.2 39.9 23.5 -11.1 345 350 A E H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.861 111.8 51.9 -65.7 -35.9 39.7 27.3 -10.9 346 351 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.954 113.6 42.5 -62.8 -51.3 37.6 27.0 -7.7 347 352 A R H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.919 116.3 48.1 -62.6 -44.3 40.1 24.7 -6.0 348 353 A K H X S+ 0 0 38 -4,-2.9 4,-2.6 -132,-0.3 -1,-0.2 0.861 109.8 52.6 -66.4 -37.5 43.1 26.7 -7.2 349 354 A G H X S+ 0 0 15 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.867 109.4 49.1 -67.2 -37.7 41.6 30.0 -6.1 350 355 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.937 112.5 47.6 -63.5 -49.5 40.9 28.6 -2.6 351 356 A Q H X S+ 0 0 14 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.933 111.0 52.3 -58.7 -44.8 44.5 27.4 -2.4 352 357 A D H X S+ 0 0 81 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.861 106.6 53.1 -59.5 -40.7 45.9 30.7 -3.6 353 358 A A H >< S+ 0 0 9 -4,-1.8 3,-0.5 1,-0.2 5,-0.4 0.912 112.2 43.5 -64.0 -42.9 43.9 32.7 -1.0 354 359 A F H 3< S+ 0 0 1 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.646 113.3 51.7 -81.8 -13.7 45.3 30.6 1.9 355 360 A R H 3< S+ 0 0 153 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.553 88.5 86.6 -89.4 -9.6 48.8 30.7 0.5 356 361 A S S << S- 0 0 30 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.704 79.2-147.5 -64.1 -25.8 48.7 34.5 0.2 357 362 A D + 0 0 88 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.1 0.830 60.7 121.8 57.2 31.0 49.8 35.2 3.7 358 363 A S > - 0 0 13 -5,-0.4 4,-2.1 1,-0.1 -1,-0.2 -0.977 54.5-163.7-131.7 121.1 47.6 38.3 3.4 359 364 A L H > S+ 0 0 0 -2,-0.4 4,-2.2 2,-0.2 -1,-0.1 0.823 97.9 54.9 -65.6 -33.0 44.6 39.2 5.7 360 365 A L H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 109.7 44.8 -66.0 -46.7 43.5 41.7 3.0 361 366 A E H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.890 112.4 53.1 -64.9 -37.0 43.4 39.0 0.3 362 367 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.905 107.5 52.1 -62.7 -40.7 41.7 36.7 2.7 363 368 A Y H X S+ 0 0 6 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.954 109.8 47.5 -59.2 -49.2 39.0 39.4 3.3 364 369 A V H < S+ 0 0 83 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.908 116.0 46.5 -61.0 -40.3 38.4 39.7 -0.4 365 370 A F H < S+ 0 0 10 -4,-2.3 -33,-2.5 -5,-0.2 -34,-0.3 0.954 120.7 35.0 -64.0 -53.9 38.2 35.9 -0.7 366 371 A L H X S- 0 0 1 -4,-3.1 -35,-1.4 -36,-0.2 4,-0.5 0.900 96.9-146.2 -71.7 -41.5 35.9 35.3 2.2 367 372 A G H X - 0 0 6 -4,-3.2 4,-2.3 -5,-0.3 5,-0.2 -0.053 38.9 -67.1 80.3 165.4 33.7 38.4 2.1 368 373 A P H > S+ 0 0 49 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.869 128.5 54.1 -60.2 -42.0 32.3 40.1 5.2 369 374 A A H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 -2,-0.1 0.946 116.4 35.7 -60.8 -50.5 30.0 37.3 6.3 370 375 A K H X S+ 0 0 16 -4,-0.5 4,-2.8 -41,-0.4 -1,-0.2 0.825 115.5 55.7 -75.2 -30.5 32.5 34.5 6.4 371 376 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.930 107.7 50.9 -63.3 -44.1 35.3 36.9 7.6 372 377 A K H X>S+ 0 0 63 -4,-2.9 5,-2.2 -5,-0.2 4,-0.5 0.918 113.2 45.0 -55.6 -48.1 33.0 37.8 10.5 373 378 A E H ><5S+ 0 0 112 -4,-1.8 3,-0.8 3,-0.2 -2,-0.2 0.935 112.8 49.4 -63.9 -48.9 32.5 34.1 11.4 374 379 A V H 3<5S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.897 121.0 35.0 -60.8 -42.0 36.1 33.1 11.0 375 380 A F H 3<5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.296 106.1-123.5-100.5 10.3 37.4 35.9 13.3 376 381 A K T <<5 + 0 0 151 -3,-0.8 2,-0.2 -4,-0.5 -3,-0.2 0.885 50.7 168.0 52.7 48.2 34.4 35.9 15.6 377 382 A L < - 0 0 10 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.1 -0.552 36.1-112.5 -91.0 154.0 33.6 39.6 15.0 378 383 A K > - 0 0 117 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.459 30.6-110.2 -77.4 159.3 30.5 41.4 16.0 379 384 A E H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 119.7 51.0 -56.5 -44.2 28.1 42.7 13.4 380 385 A T H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.839 109.2 52.8 -64.2 -31.7 29.0 46.4 14.1 381 386 A Q H > S+ 0 0 35 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.916 110.9 43.7 -71.6 -44.7 32.7 45.5 13.7 382 387 A I H X S+ 0 0 7 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.846 110.3 58.0 -70.6 -32.8 32.4 43.8 10.4 383 388 A K H X S+ 0 0 111 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.930 107.9 45.8 -60.9 -45.3 30.2 46.6 9.2 384 389 A Y H X S+ 0 0 112 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.947 114.4 48.0 -63.8 -45.2 32.9 49.2 9.9 385 390 A I H >X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 3,-0.5 0.944 113.9 46.6 -60.1 -46.8 35.6 47.0 8.3 386 391 A D H 3< S+ 0 0 64 -4,-3.1 3,-0.4 1,-0.2 4,-0.3 0.862 109.9 53.2 -67.9 -35.9 33.4 46.4 5.1 387 392 A D H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.791 121.7 31.4 -64.3 -29.2 32.5 50.1 4.8 388 393 A H H X< S+ 0 0 50 -4,-1.4 3,-2.3 -3,-0.5 4,-0.5 0.366 83.3 108.8-113.8 4.4 36.1 51.1 4.9 389 394 A I G >< S+ 0 0 39 -4,-0.9 3,-1.2 -3,-0.4 -1,-0.1 0.794 71.7 64.5 -60.0 -32.0 37.9 48.1 3.3 390 395 A S G 3 S+ 0 0 113 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.646 106.2 46.7 -64.7 -15.1 38.7 50.1 0.1 391 396 A E G < S+ 0 0 126 -3,-2.3 -1,-0.3 2,-0.1 2,-0.2 0.513 93.7 104.0 -99.2 -12.9 40.9 52.4 2.2 392 397 A F < - 0 0 26 -3,-1.2 2,-0.2 -4,-0.5 -3,-0.0 -0.508 46.8-165.9 -83.2 139.6 42.8 49.7 4.2 393 398 A N > - 0 0 89 -2,-0.2 4,-1.8 -33,-0.0 5,-0.2 -0.534 49.7 -88.3 -95.9 178.5 46.3 48.4 3.9 394 399 A E H > S+ 0 0 42 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.874 128.3 49.7 -55.8 -44.0 47.3 45.1 5.6 395 400 A H H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.894 105.7 57.2 -67.2 -39.3 48.2 46.8 8.9 396 401 A D H > S+ 0 0 54 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.924 109.4 45.3 -55.1 -47.7 45.0 48.8 9.0 397 402 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.921 111.3 52.7 -65.4 -41.0 43.0 45.5 8.9 398 403 A L H X S+ 0 0 8 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.901 105.1 55.8 -61.1 -40.1 45.2 43.9 11.5 399 404 A L H X S+ 0 0 70 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.869 107.6 48.9 -61.2 -37.2 44.7 46.9 13.8 400 405 A H H X S+ 0 0 50 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.919 109.9 50.6 -69.1 -40.9 40.9 46.4 13.7 401 406 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.934 110.7 50.2 -58.4 -47.0 41.2 42.7 14.4 402 407 A I H < S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.897 114.8 43.1 -59.0 -44.3 43.4 43.5 17.4 403 408 A S H < S+ 0 0 95 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.880 119.5 43.3 -67.8 -38.5 40.9 46.0 18.8 404 409 A D H < S+ 0 0 32 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.810 133.0 4.1 -81.3 -34.4 37.9 43.9 18.1 405 410 A N < + 0 0 18 -4,-2.8 4,-0.3 -5,-0.2 3,-0.3 -0.423 59.0 150.4-159.1 73.9 39.1 40.4 19.3 406 411 A P S > >S+ 0 0 33 0, 0.0 5,-2.8 0, 0.0 3,-0.9 0.695 72.3 73.0 -76.8 -18.0 42.5 40.1 20.9 407 412 A S G > 5S+ 0 0 71 1,-0.2 3,-2.7 3,-0.2 5,-0.1 0.860 83.3 67.6 -65.6 -38.6 41.2 37.1 23.0 408 413 A E G 3 5S+ 0 0 38 1,-0.3 -1,-0.2 -3,-0.3 -32,-0.0 0.778 111.4 34.4 -46.7 -36.0 41.2 34.9 19.9 409 414 A I G X 5S- 0 0 5 -3,-0.9 3,-2.3 -4,-0.3 -1,-0.3 -0.163 120.5-108.4-117.2 34.2 45.0 35.1 20.0 410 415 A N T < 5 - 0 0 124 -3,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.761 67.0 -65.6 46.2 41.6 45.2 35.3 23.8 411 416 A Q T 3 S- 0 0 84 1,-0.2 4,-2.3 2,-0.0 -1,-0.2 -0.882 70.2-167.8 -97.3 105.4 54.2 42.0 18.4 416 421 A F H > S+ 0 0 89 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.874 84.7 55.7 -65.5 -39.7 52.3 42.7 15.1 417 422 A G H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.937 112.7 42.0 -54.2 -50.3 54.2 40.1 13.1 418 423 A R H > S+ 0 0 135 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.854 111.8 55.7 -65.5 -37.7 53.2 37.4 15.6 419 424 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.937 107.0 50.2 -60.6 -45.6 49.7 38.8 15.8 420 425 A K H X S+ 0 0 48 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.891 109.8 50.1 -60.0 -44.0 49.3 38.5 12.0 421 426 A V H X S+ 0 0 73 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.911 110.1 50.9 -60.7 -43.0 50.6 34.9 12.0 422 427 A X H X S+ 0 0 37 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.895 111.6 46.2 -65.6 -39.6 48.1 34.0 14.8 423 428 A Y H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.924 112.9 50.6 -67.3 -42.7 45.1 35.5 12.9 424 429 A X H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.883 108.7 52.6 -59.3 -39.1 46.3 33.7 9.7 425 430 A D H X S+ 0 0 81 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.856 104.9 54.7 -64.5 -37.6 46.5 30.4 11.7 426 431 A I H < S+ 0 0 16 -4,-1.7 3,-0.4 2,-0.2 4,-0.3 0.926 110.8 46.5 -59.4 -45.3 42.9 30.9 12.9 427 432 A A H >< S+ 0 0 1 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.918 107.0 56.8 -63.9 -44.5 41.8 31.2 9.2 428 433 A K H >< S+ 0 0 48 -4,-2.5 3,-1.4 1,-0.3 4,-0.5 0.738 89.8 74.5 -63.4 -21.3 43.9 28.2 8.2 429 434 A E T 3< S+ 0 0 143 -4,-1.2 -1,-0.3 -3,-0.4 4,-0.3 0.775 99.6 46.8 -54.9 -28.0 42.0 26.1 10.7 430 435 A H T <> S+ 0 0 52 -3,-2.0 4,-1.8 -4,-0.3 -1,-0.2 0.447 84.5 93.9 -95.4 -4.0 39.1 26.3 8.2 431 436 A Y H <> S+ 0 0 6 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.901 84.3 49.8 -61.5 -46.1 41.0 25.4 5.0 432 437 A S H > S+ 0 0 32 -4,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.908 109.6 51.9 -58.6 -44.6 40.3 21.7 5.1 433 438 A A H 4 S+ 0 0 49 -4,-0.3 -106,-0.3 1,-0.2 -1,-0.2 0.835 113.7 45.2 -61.4 -35.1 36.5 22.3 5.6 434 439 A F H < S+ 0 0 2 -4,-1.8 4,-0.3 -108,-0.1 -2,-0.2 0.882 121.1 37.6 -71.5 -41.4 36.6 24.6 2.6 435 440 A Y H >< S+ 0 0 2 -4,-2.6 3,-1.9 -5,-0.2 4,-0.2 0.892 100.5 66.6 -83.5 -45.2 38.6 22.3 0.4 436 441 A K T >X S+ 0 0 66 -4,-3.0 4,-2.7 1,-0.3 3,-2.0 0.844 95.1 57.8 -56.5 -38.9 37.5 18.7 1.1 437 442 A P H 3> S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.764 90.7 73.6 -61.4 -22.7 34.0 19.1 -0.4 438 443 A L H <4 S+ 0 0 0 -3,-1.9 -2,-0.2 -4,-0.3 -91,-0.1 0.519 115.9 21.8 -68.9 -7.7 35.6 20.1 -3.7 439 444 A V H X>>S+ 0 0 4 -3,-2.0 4,-2.5 -4,-0.2 5,-2.3 0.583 124.2 52.9-113.2 -51.9 36.4 16.4 -4.0 440 445 A E H 3<5S+ 0 0 85 -4,-2.7 6,-1.6 1,-0.3 7,-1.5 0.829 119.3 33.4 -55.8 -42.2 33.9 14.7 -1.7 441 446 A E T 3<5S+ 0 0 52 -4,-2.2 -1,-0.3 5,-0.3 -3,-0.1 0.415 123.4 47.7 -95.0 -1.2 30.8 16.3 -3.2 442 447 A I T <45S- 0 0 0 -3,-1.2 -2,-0.2 -5,-0.3 -127,-0.2 0.834 138.7 -11.2-106.4 -54.0 32.2 16.4 -6.8 443 448 A S T <5S+ 0 0 1 -4,-2.5 -3,-0.2 -129,-0.1 -2,-0.1 0.506 117.8 82.8-120.0 -14.0 33.7 13.0 -7.5 444 449 A G S > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.764 128.0 58.6 -60.3 -25.4 31.2 9.6 -1.8 446 451 A G H > S+ 0 0 9 -6,-1.6 4,-1.8 2,-0.2 -5,-0.3 0.942 109.8 42.9 -64.8 -47.2 29.0 12.7 -1.5 447 452 A A H > S+ 0 0 0 -7,-1.5 4,-2.4 -3,-0.5 -1,-0.2 0.898 115.5 49.3 -62.5 -41.6 28.5 12.8 -5.2 448 453 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.917 107.1 54.5 -69.5 -41.6 28.0 9.0 -5.5 449 454 A Y H X>S+ 0 0 35 -4,-2.4 5,-2.7 1,-0.2 4,-0.7 0.927 112.4 44.7 -52.7 -48.3 25.5 9.0 -2.6 450 455 A N H ><5S+ 0 0 76 -4,-1.8 3,-0.8 3,-0.2 -1,-0.2 0.897 110.5 54.0 -66.0 -40.5 23.4 11.6 -4.5 451 456 A A H 3<5S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 110.0 48.0 -60.1 -36.6 23.8 9.7 -7.8 452 457 A L H 3<5S- 0 0 5 -4,-2.3 -339,-2.2 -5,-0.1 -338,-0.4 0.550 141.1 -65.3 -87.0 -8.0 22.5 6.5 -6.2 453 458 A G T >< - 0 0 7 -5,-2.7 4,-0.9 -6,-0.2 3,-0.5 0.200 42.5 -61.4 80.5 164.3 20.5 10.8 -1.9 455 460 A A H >> S+ 0 0 47 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.881 127.9 54.9 -53.0 -52.6 19.9 11.1 1.9 456 461 A S H >4 S+ 0 0 109 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.907 108.4 51.1 -49.1 -44.8 16.2 11.3 1.9 457 462 A N H << S+ 0 0 64 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.701 116.9 39.9 -65.6 -22.9 16.0 8.0 -0.1 458 463 A F H << S+ 0 0 4 -3,-1.5 -173,-2.6 -4,-0.9 2,-0.4 0.190 100.7 88.0-113.4 13.7 18.4 6.3 2.5 459 464 A T E << +J 284 0C 38 -3,-1.2 2,-0.3 -4,-0.5 -175,-0.2 -0.952 47.6 155.2-122.8 133.2 17.0 7.8 5.6 460 465 A T E -J 283 0C 34 -177,-2.2 -177,-2.5 -2,-0.4 2,-0.2 -0.952 51.0 -77.0-148.2 160.2 14.1 6.3 7.6 461 466 A T E -J 282 0C 40 -2,-0.3 -179,-0.3 -179,-0.2 2,-0.2 -0.464 59.9-106.8 -63.5 133.6 12.7 6.3 11.2 462 467 A H + 0 0 39 -181,-2.3 2,-0.3 -2,-0.2 -181,-0.1 -0.431 43.8 176.5 -71.8 133.5 14.8 3.9 13.3 463 468 A R - 0 0 147 -2,-0.2 2,-0.3 -3,-0.0 10,-0.0 -0.998 10.7-151.8-141.4 138.5 13.2 0.6 14.2 464 469 A R - 0 0 199 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.789 18.7 -62.3-122.1 158.5 14.7 -2.4 16.1 465 470 A S + 0 0 98 -2,-0.3 2,-0.0 2,-0.1 -2,-0.0 0.235 18.0 177.4 42.9-165.6 14.5 -6.2 16.6 466 471 A T S S- 0 0 123 3,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.536 72.7 -45.6-110.5 143.4 13.2 -8.7 17.2 467 472 A G S S+ 0 0 54 2,-0.0 -2,-0.1 -417,-0.0 3,-0.1 -0.432 106.8 10.6 87.2-161.5 15.4 -11.7 16.6 468 473 A P S S- 0 0 24 0, 0.0 2,-0.2 0, 0.0 -422,-0.1 -0.188 87.7-100.7 -51.1 141.4 17.6 -12.4 13.6 469 474 A X - 0 0 49 -424,-0.2 -422,-0.1 2,-0.0 -377,-0.1 -0.491 44.2-178.9 -69.3 131.6 17.9 -9.5 11.2 470 475 A L - 0 0 17 -2,-0.2 2,-2.1 -3,-0.1 3,-0.2 -0.932 39.3-108.0-127.0 153.5 15.7 -9.7 8.1 471 476 A P S S+ 0 0 0 0, 0.0 6,-0.1 0, 0.0 -2,-0.0 -0.464 73.3 126.6 -80.9 70.6 15.5 -7.3 5.2 472 477 A T + 0 0 40 -2,-2.1 -366,-0.1 -365,-0.2 -3,-0.0 0.315 64.0 44.9-114.3 4.9 12.1 -5.9 6.1 473 478 A T S > S- 0 0 33 -3,-0.2 4,-2.4 -365,-0.1 3,-0.2 -0.944 93.4-102.6-136.7 162.1 13.0 -2.1 6.2 474 479 A P H > S+ 0 0 43 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.900 119.7 46.8 -56.3 -44.6 15.0 -0.0 3.7 475 480 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.887 113.1 50.4 -65.6 -33.3 18.2 0.2 5.7 476 481 A R H > S+ 0 0 17 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.861 106.8 55.3 -69.6 -35.1 18.0 -3.6 6.4 477 482 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.929 111.8 43.0 -60.8 -44.7 17.5 -4.2 2.7 478 483 A L H X>S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 5,-0.5 0.902 113.2 52.6 -68.4 -40.8 20.7 -2.3 1.9 479 484 A Q H <5S+ 0 0 30 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.890 117.2 38.0 -61.6 -39.1 22.6 -3.9 4.8 480 485 A V H <5S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.902 132.8 18.4 -80.6 -40.4 21.7 -7.4 3.6 481 486 A F H <5S+ 0 0 0 -4,-2.4 -221,-2.3 -5,-0.2 -220,-0.6 0.537 123.8 41.3-113.8 -11.4 21.9 -7.1 -0.2 482 487 A C T <5S+ 0 0 0 -4,-2.2 -217,-1.6 -5,-0.3 2,-0.7 0.421 77.7 105.6-125.4 1.1 24.0 -4.0 -1.1 483 488 A D B >< -h 265 0C 2 -5,-0.5 4,-1.0 -4,-0.3 -217,-0.2 -0.783 36.8-178.5 -99.4 108.9 27.0 -3.8 1.2 484 489 A A H > S+ 0 0 0 -219,-2.0 4,-2.1 -2,-0.7 -218,-0.2 0.729 79.2 60.7 -73.9 -26.5 30.4 -4.8 -0.4 485 490 A H H 4 S+ 0 0 49 -220,-0.7 5,-0.2 2,-0.2 -1,-0.2 0.958 103.7 47.2 -70.3 -49.5 32.4 -4.2 2.8 486 491 A D H 4 S+ 0 0 73 1,-0.2 -1,-0.2 -219,-0.1 -2,-0.2 0.889 120.0 40.0 -58.1 -38.4 30.6 -6.8 4.9 487 492 A K H < S+ 0 0 13 -4,-1.0 -1,-0.2 -229,-0.0 -2,-0.2 0.777 106.8 71.6 -85.0 -29.8 30.8 -9.4 2.1 488 493 A G S < S- 0 0 0 -4,-2.1 -361,-0.0 2,-0.1 -237,-0.0 -0.306 83.5-119.5 -85.4 172.1 34.3 -8.8 0.9 489 494 A P S S+ 0 0 5 0, 0.0 -242,-3.4 0, 0.0 2,-0.3 0.237 74.7 110.5 -95.5 13.2 37.6 -9.5 2.6 490 495 A F B -K 246 0D 1 -244,-0.2 2,-0.5 -5,-0.2 -244,-0.2 -0.695 60.8-133.7 -99.6 144.7 38.9 -5.9 2.7 491 496 A V + 0 0 61 -246,-2.8 2,-0.3 -2,-0.3 -6,-0.0 -0.814 26.4 177.9 -97.9 128.6 39.3 -3.8 5.8 492 497 A S + 0 0 23 -2,-0.5 3,-0.0 -248,-0.1 -248,-0.0 -0.976 26.2 179.1-130.1 148.0 38.0 -0.2 5.9 493 498 A D + 0 0 82 -2,-0.3 15,-0.3 1,-0.1 -1,-0.1 0.098 58.2 105.8-122.4 15.2 37.9 2.6 8.5 494 499 A N S S+ 0 0 71 13,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.821 81.4 19.2 -71.0 -34.5 36.2 5.2 6.3 495 500 A I S S- 0 0 39 -228,-0.1 -228,-0.1 1,-0.1 -3,-0.1 -0.851 88.2 -78.8-136.6 164.7 32.7 5.2 7.7 496 501 A A - 0 0 8 -2,-0.3 -210,-0.1 1,-0.1 3,-0.1 -0.239 49.2-107.7 -56.5 151.7 30.7 4.2 10.8 497 502 A R > - 0 0 221 8,-0.3 -228,-1.5 -229,-0.2 3,-0.8 -0.218 56.6 -68.7 -68.9 167.1 29.6 0.6 11.3 498 503 A W T 3 S+ 0 0 37 -230,-0.3 -1,-0.2 1,-0.2 -228,-0.1 -0.412 118.9 9.4 -60.1 136.3 26.0 -0.3 10.8 499 504 A Q T 3 S+ 0 0 75 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.857 85.0 165.1 62.9 44.8 23.6 1.2 13.4 500 505 A T E < -i 270 0C 21 -231,-2.5 -229,-2.8 -3,-0.8 -1,-0.2 -0.770 38.8-118.4 -92.7 132.3 26.2 3.5 15.1 501 506 A N E > -i 271 0C 41 -2,-0.4 3,-2.0 3,-0.2 -229,-0.2 -0.483 19.0-128.9 -69.3 138.7 24.9 6.3 17.4 502 507 A V G > S+ 0 0 49 -231,-2.3 3,-0.6 1,-0.3 -1,-0.1 0.760 105.1 60.0 -62.6 -27.7 25.8 9.8 16.1 503 508 A R G 3 S+ 0 0 147 1,-0.2 -1,-0.3 -232,-0.2 -2,-0.1 0.556 115.0 34.6 -77.0 -8.3 27.3 10.8 19.5 504 509 A E G < + 0 0 106 -3,-2.0 -1,-0.2 1,-0.1 -3,-0.2 -0.371 66.9 153.1-144.3 57.4 29.9 8.0 19.3 505 510 A L < - 0 0 60 -3,-0.6 -8,-0.3 -5,-0.1 3,-0.1 0.809 34.9-153.7 -64.1 -35.6 30.9 7.5 15.7 506 511 A G + 0 0 84 1,-0.2 2,-0.5 -10,-0.1 -1,-0.1 0.852 44.8 136.8 63.1 36.2 34.4 6.1 16.4 507 512 A V - 0 0 39 -13,-0.0 2,-0.3 -11,-0.0 -1,-0.2 -0.975 52.4-131.4-116.7 122.6 35.8 7.3 13.0 508 513 A L - 0 0 118 -2,-0.5 2,-0.7 -15,-0.3 -15,-0.0 -0.586 13.0-153.4 -73.6 129.2 39.2 8.9 12.9 509 514 A N - 0 0 136 -2,-0.3 2,-0.1 0, 0.0 -1,-0.0 -0.899 17.6-148.8-106.0 103.9 39.3 12.2 11.0 510 515 A R - 0 0 122 -2,-0.7 3,-0.2 1,-0.1 -2,-0.0 -0.443 11.1-156.3 -80.5 146.7 42.9 12.6 9.7 511 516 A E S S+ 0 0 184 1,-0.2 2,-1.5 -2,-0.1 -1,-0.1 0.920 80.1 55.9 -84.0 -53.2 44.6 16.0 9.2 512 517 A G S S- 0 0 79 3,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.510 71.7-176.8 -91.9 70.3 47.3 15.4 6.6 513 518 A L > - 0 0 46 -2,-1.5 3,-1.2 -3,-0.2 -2,-0.0 -0.388 32.0-127.7 -69.0 143.3 45.5 13.9 3.7 514 519 A S T 3 S+ 0 0 99 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.745 107.4 44.7 -59.2 -28.2 47.6 12.9 0.7 515 520 A W T 3 S+ 0 0 46 2,-0.1 -1,-0.2 -296,-0.1 -293,-0.1 0.352 84.7 99.9-107.9 4.7 45.4 14.9 -1.7 516 521 A L S < S- 0 0 35 -3,-1.2 -84,-0.0 -297,-0.1 2,-0.0 -0.825 73.5-131.8 -89.4 113.2 45.0 18.1 0.2 517 522 A P - 0 0 35 0, 0.0 -2,-0.1 0, 0.0 -4,-0.1 -0.380 28.6-106.5 -64.2 142.6 47.5 20.7 -1.3 518 523 A S + 0 0 95 1,-0.1 -163,-0.0 -2,-0.0 0, 0.0 -0.288 33.7 178.1 -68.5 152.3 49.5 22.5 1.4 519 524 A V 0 0 23 1,-0.2 -1,-0.1 -165,-0.1 -91,-0.0 0.347 360.0 360.0-127.5 -4.1 48.9 26.1 2.3 520 525 A G 0 0 74 -92,-0.0 -1,-0.2 0, 0.0 -165,-0.1 -0.434 360.0 360.0 61.7 360.0 51.5 26.5 5.0