==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 30-OCT-08 3F3D . COMPND 2 MOLECULE: TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR S.K.SINGH,C.L.PISCITELLI,A.YAMASHITA,E.GOUAUX . 510 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 79.6 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 . 5 1.0 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 . 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 . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 3 2 4 1 1 0 1 2 0 2 4 0 1 0 0 1 0 0 1 0 0 0 1 0 2 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 . 1 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 . 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 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 R 0 0 105 0, 0.0 262,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 138.5 32.0 56.0 22.7 2 6 A E - 0 0 51 262,-0.0 2,-0.3 1,-0.0 179,-0.0 -0.288 360.0-163.1 -64.0 154.9 32.4 54.0 19.5 3 7 A H - 0 0 60 262,-0.0 2,-0.3 261,-0.0 261,-0.2 -0.984 30.0 -97.3-140.3 149.7 29.5 53.5 17.0 4 8 A W - 0 0 2 259,-1.6 261,-0.2 -2,-0.3 179,-0.1 -0.537 33.2-149.2 -62.0 127.5 28.7 51.1 14.2 5 9 A A S S+ 0 0 74 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.961 72.9 25.2 -66.8 -55.4 29.7 53.0 11.0 6 10 A T > - 0 0 57 1,-0.1 4,-1.6 177,-0.1 5,-0.1 -0.728 69.8-128.5-114.1 160.1 27.2 51.5 8.6 7 11 A R H > S+ 0 0 86 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.839 112.5 50.8 -72.6 -36.2 23.7 50.0 9.0 8 12 A L H > S+ 0 0 102 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.922 108.2 52.3 -65.2 -46.2 24.8 46.9 7.0 9 13 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.893 109.4 50.2 -55.8 -43.6 27.9 46.5 9.1 10 14 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.935 112.8 46.5 -57.0 -50.0 25.6 46.6 12.2 11 15 A I H X S+ 0 0 14 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.893 114.7 45.4 -61.4 -46.3 23.3 43.9 10.7 12 16 A L H X S+ 0 0 29 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.813 112.8 51.0 -71.8 -31.4 26.2 41.6 9.6 13 17 A A H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.908 113.8 43.9 -69.8 -43.9 28.0 42.0 12.9 14 18 A M H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.806 114.9 49.7 -69.2 -32.7 24.8 41.1 14.9 15 19 A A H X S+ 0 0 1 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.838 111.0 49.5 -69.4 -36.1 24.1 38.3 12.4 16 20 A G H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.827 107.2 56.5 -70.5 -34.5 27.8 37.1 12.9 17 21 A N H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.950 118.3 31.4 -54.8 -55.4 27.1 37.3 16.6 18 22 A A H < S+ 0 0 1 -4,-1.8 2,-0.9 232,-0.1 4,-0.2 0.915 104.1 77.1 -75.1 -47.2 24.1 34.9 16.3 19 23 A V S < S+ 0 0 3 -4,-3.2 2,-0.2 493,-0.1 330,-0.1 -0.553 72.7 108.6 -73.0 103.2 25.2 32.7 13.4 20 24 A G S >> S- 0 0 0 -2,-0.9 4,-1.0 229,-0.1 3,-1.0 -0.507 84.6 -40.0-144.2-147.6 27.8 30.3 14.9 21 25 A L H 3>>S+ 0 0 9 491,-0.7 4,-2.0 1,-0.2 5,-1.7 0.645 123.6 69.5 -66.6 -16.5 28.5 26.8 16.0 22 26 A G H 34>S+ 0 0 0 490,-1.6 5,-2.5 -4,-0.2 -1,-0.2 0.845 99.8 47.3 -68.3 -34.2 25.0 26.6 17.3 23 27 A N H <45S+ 0 0 0 -3,-1.0 -2,-0.2 3,-0.2 -1,-0.2 0.857 124.3 27.5 -72.2 -40.4 23.6 26.7 13.8 24 28 A F H <5S+ 0 0 1 -4,-1.0 269,-0.2 3,-0.1 -2,-0.2 0.696 135.4 21.0-104.0 -23.4 25.8 24.0 12.2 25 29 A L T X5S+ 0 0 12 -4,-2.0 4,-1.0 -5,-0.2 -3,-0.2 0.789 126.0 38.2-110.2 -49.6 26.7 21.8 15.2 26 30 A R H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.903 113.1 47.1 -58.4 -41.4 21.3 19.3 14.0 29 33 A V H X S+ 0 0 4 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.917 113.6 47.9 -64.9 -44.8 22.0 17.3 17.1 30 34 A Q H X S+ 0 0 34 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.909 113.9 46.1 -62.8 -46.6 19.0 18.9 19.0 31 35 A A H <>S+ 0 0 1 -4,-2.7 5,-2.6 -5,-0.2 3,-0.4 0.921 114.1 47.8 -63.3 -46.2 16.6 18.3 16.1 32 36 A A H ><5S+ 0 0 2 -4,-2.3 3,-1.0 -5,-0.2 -2,-0.2 0.907 110.5 50.5 -63.6 -45.6 17.7 14.7 15.5 33 37 A E H 3<5S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.733 111.5 52.2 -60.8 -24.9 17.5 13.7 19.2 34 38 A N T 3<5S- 0 0 24 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 -0.178 127.3 -85.3-115.1 37.5 14.0 15.2 19.4 35 39 A G T X 5 - 0 0 35 -3,-1.0 3,-1.7 3,-0.2 2,-0.9 0.652 52.7-113.0 76.3 19.5 12.2 13.5 16.5 36 40 A G T >> S+ 0 0 2 187,-1.5 4,-1.0 -2,-0.9 192,-0.3 0.692 115.8 66.7 -70.6 -21.1 9.9 17.5 12.7 38 42 A A H <4 S+ 0 0 1 -3,-1.7 -1,-0.2 190,-0.2 -3,-0.2 0.775 102.4 48.0 -65.5 -29.6 8.6 16.9 16.2 39 43 A F H <> S+ 0 0 0 -3,-0.9 4,-1.5 -8,-0.2 -2,-0.2 0.757 102.1 66.3 -77.9 -28.5 11.2 19.4 17.4 40 44 A M H X S+ 0 0 6 -4,-0.7 4,-2.6 185,-0.2 5,-0.2 0.823 92.3 54.8 -73.8 -38.1 10.4 22.0 14.8 41 45 A I H X S+ 0 0 47 -4,-1.0 4,-2.3 2,-0.2 5,-0.2 0.975 114.0 42.4 -58.1 -56.0 6.8 23.0 15.8 42 46 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.833 114.0 54.9 -57.1 -33.4 8.1 23.8 19.4 43 47 A Y H X S+ 0 0 4 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.899 108.7 45.1 -67.3 -45.4 11.1 25.5 17.8 44 48 A I H X S+ 0 0 78 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.896 114.9 48.5 -64.9 -43.5 9.0 27.8 15.6 45 49 A I H X S+ 0 0 53 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.894 110.8 51.0 -62.6 -42.1 6.7 28.7 18.5 46 50 A A H X>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-1.9 0.851 108.3 52.3 -65.1 -36.6 9.8 29.4 20.7 47 51 A F H <>S+ 0 0 30 -4,-1.9 5,-2.6 3,-0.2 -1,-0.2 0.911 116.2 40.7 -60.9 -42.3 11.2 31.7 18.0 48 52 A L H <5S+ 0 0 81 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.868 124.6 34.3 -76.5 -38.4 7.9 33.6 17.9 49 53 A L H <5S+ 0 0 45 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.630 138.8 8.8 -94.7 -17.5 7.1 33.7 21.7 50 54 A V T X5S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 5,-0.3 0.647 121.9 53.3-126.5 -54.8 10.7 34.0 23.1 51 55 A G H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.909 115.3 47.0 -57.2 -44.0 10.6 39.5 21.8 54 58 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.858 107.5 56.4 -67.0 -37.8 13.8 39.0 23.8 55 59 A M H X S+ 0 0 3 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.939 109.6 46.9 -55.5 -48.0 16.0 40.0 20.8 56 60 A W H X S+ 0 0 7 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.919 111.2 51.2 -60.5 -46.6 14.1 43.3 20.8 57 61 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.876 110.6 48.9 -56.9 -41.9 14.4 43.8 24.6 58 62 A E H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.858 110.6 49.3 -72.8 -36.6 18.2 43.2 24.4 59 63 A W H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.910 114.2 47.8 -61.1 -43.8 18.7 45.7 21.5 60 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.944 112.5 45.9 -65.7 -51.8 16.7 48.2 23.5 61 65 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.910 115.7 49.8 -54.2 -45.4 18.5 47.7 26.8 62 66 A G H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.980 112.9 42.4 -58.1 -64.0 21.8 47.9 24.9 63 67 A R H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.876 115.4 52.5 -50.7 -44.6 21.0 51.1 22.9 64 68 A Y H < S+ 0 0 45 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.895 112.7 43.4 -58.7 -46.6 19.6 52.7 26.1 65 69 A G H ><>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.2 3,-1.4 0.885 110.0 56.6 -66.7 -40.9 22.7 51.8 28.2 66 70 A G H ><5S+ 0 0 10 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.825 96.4 64.0 -60.5 -34.3 25.0 53.0 25.4 67 71 A A T 3<5S+ 0 0 54 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.669 109.0 41.2 -65.0 -18.1 23.4 56.4 25.3 68 72 A Q T < 5S- 0 0 88 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.191 127.3 -98.1-113.4 11.8 24.7 56.9 28.9 69 73 A G T < 5S+ 0 0 30 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.697 84.5 122.3 82.7 23.0 28.1 55.3 28.2 70 74 A H < + 0 0 46 -5,-2.6 -2,-0.2 -8,-0.1 -1,-0.2 -0.959 29.8 172.6-125.9 119.2 27.4 51.8 29.6 71 75 A G + 0 0 0 -2,-0.5 2,-0.3 289,-0.2 191,-0.2 0.657 60.2 62.6 -94.2 -18.8 27.7 48.6 27.5 72 76 A T S >> S- 0 0 2 288,-0.1 4,-2.3 -7,-0.1 3,-0.5 -0.743 80.8-112.7-120.7 162.0 27.2 45.9 30.1 73 77 A T H 3> S+ 0 0 2 -2,-0.3 4,-2.7 17,-0.2 5,-0.4 0.711 104.1 67.3 -68.4 -29.7 24.4 44.7 32.5 74 78 A P H 3> S+ 0 0 4 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.963 117.4 29.4 -53.1 -47.9 25.9 45.5 35.9 75 79 A A H <> S+ 0 0 14 -3,-0.5 4,-1.7 2,-0.2 3,-0.3 0.924 122.6 50.3 -72.7 -48.2 25.6 49.2 35.0 76 80 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.886 107.4 52.8 -62.2 -43.6 22.5 48.9 32.7 77 81 A F H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.824 109.2 52.4 -58.7 -33.1 20.5 46.9 35.2 78 82 A Y H < S+ 0 0 47 -4,-0.7 -1,-0.2 -5,-0.4 -2,-0.2 0.852 105.8 52.6 -72.9 -37.6 21.2 49.7 37.7 79 83 A L H < S+ 0 0 18 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.869 115.0 42.0 -62.1 -39.2 19.9 52.4 35.3 80 84 A L H < S+ 0 0 9 -4,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.753 132.3 22.2 -80.6 -27.5 16.7 50.4 34.8 81 85 A W S < S- 0 0 69 -4,-1.5 2,-2.7 -5,-0.2 -1,-0.3 -0.851 73.7-147.3-146.2 102.8 16.4 49.6 38.5 82 86 A R + 0 0 149 -2,-0.3 2,-0.3 -3,-0.3 -4,-0.1 -0.362 60.1 115.0 -74.6 67.3 18.2 51.8 41.0 83 87 A N S >> S- 0 0 65 -2,-2.7 3,-0.8 -6,-0.2 4,-0.7 -0.966 71.5-128.7-137.8 148.7 18.9 49.0 43.5 84 88 A R H >> S+ 0 0 129 -2,-0.3 4,-1.2 1,-0.2 3,-0.6 0.833 109.9 60.3 -65.3 -34.7 22.1 47.3 44.8 85 89 A F H 3> S+ 0 0 114 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.713 96.7 62.6 -65.9 -22.0 20.6 43.9 44.0 86 90 A A H <> S+ 0 0 0 -3,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.829 100.5 50.8 -72.2 -35.5 20.4 45.0 40.3 87 91 A K H < S+ 0 0 74 -4,-1.2 3,-0.9 2,-0.2 4,-0.5 0.906 111.4 47.1 -69.5 -44.4 24.7 41.9 41.4 89 93 A L H >< S+ 0 0 26 -4,-1.9 3,-0.9 1,-0.2 4,-0.4 0.815 105.3 63.9 -62.1 -31.9 22.2 40.3 39.0 90 94 A G H >< S+ 0 0 0 -4,-1.4 3,-1.0 1,-0.2 -17,-0.2 0.742 85.5 73.0 -61.6 -26.5 24.0 42.3 36.3 91 95 A V T XX S+ 0 0 0 -3,-0.9 4,-3.0 -4,-0.6 3,-2.5 0.843 83.9 66.9 -59.8 -34.9 27.2 40.3 37.0 92 96 A F H <> S+ 0 0 49 -3,-0.9 4,-3.1 -4,-0.5 -1,-0.2 0.838 93.1 60.3 -54.5 -34.7 25.6 37.3 35.3 93 97 A G H <4 S+ 0 0 1 -3,-1.0 -1,-0.3 -4,-0.4 -20,-0.2 0.429 113.5 36.8 -75.9 -1.0 25.8 39.3 32.0 94 98 A L H <> S+ 0 0 1 -3,-2.5 4,-1.1 -4,-0.1 -2,-0.2 0.628 119.9 48.2-104.5 -39.0 29.5 39.4 32.5 95 99 A W H X S+ 0 0 20 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.924 107.3 52.9 -68.9 -49.9 29.9 35.9 33.9 96 100 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.934 112.9 42.5 -54.8 -54.1 27.8 34.0 31.3 97 101 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.772 115.5 52.3 -66.6 -25.0 29.7 35.3 28.3 98 102 A L H X S+ 0 0 4 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.923 112.8 42.3 -72.5 -47.2 33.0 34.8 30.1 99 103 A V H X S+ 0 0 0 -4,-3.1 4,-1.0 2,-0.2 5,-0.2 0.893 115.5 51.0 -66.5 -39.0 32.3 31.2 31.0 100 104 A V H >X S+ 0 0 0 -4,-2.7 4,-3.2 -5,-0.3 3,-0.7 0.934 107.5 52.8 -62.8 -46.4 30.9 30.6 27.5 101 105 A A H 3X S+ 0 0 1 -4,-1.9 4,-1.9 253,-0.3 5,-0.4 0.839 99.9 65.1 -54.5 -37.7 34.1 32.1 25.9 102 106 A I H 3< S+ 0 0 0 -4,-1.5 4,-0.2 1,-0.2 -1,-0.2 0.868 119.2 20.2 -60.1 -39.7 36.2 29.7 28.0 103 107 A Y H S+ 0 0 3 -5,-0.4 4,-1.3 -4,-0.2 -2,-0.2 0.933 109.5 44.4 -66.3 -46.4 38.4 26.1 22.5 107 111 A I H X S+ 0 0 12 -4,-2.0 4,-1.4 1,-0.2 3,-0.4 0.916 110.5 56.6 -62.5 -43.3 35.8 24.3 20.3 108 112 A E H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.880 103.5 54.6 -50.8 -42.0 36.3 27.1 17.7 109 113 A S H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.841 99.7 60.3 -66.8 -32.4 40.0 26.2 17.7 110 114 A W H X S+ 0 0 9 -4,-1.3 4,-3.2 -3,-0.4 5,-0.2 0.914 103.2 51.5 -56.3 -44.6 39.3 22.5 16.9 111 115 A T H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 233,-0.2 0.832 110.8 48.0 -65.5 -34.0 37.6 23.7 13.7 112 116 A L H X S+ 0 0 19 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.918 113.2 47.4 -68.5 -45.8 40.7 25.7 12.8 113 117 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.913 115.2 45.6 -61.2 -46.1 43.0 22.7 13.6 114 118 A F H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.893 110.9 53.8 -62.3 -42.1 40.8 20.3 11.6 115 119 A A H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.932 111.1 45.6 -57.6 -48.4 40.6 22.9 8.7 116 120 A I H X S+ 0 0 64 -4,-2.5 4,-2.0 1,-0.2 6,-0.2 0.923 115.5 46.6 -58.8 -47.5 44.4 23.0 8.6 117 121 A K H <>S+ 0 0 45 -4,-2.3 5,-1.9 1,-0.2 4,-0.4 0.849 114.2 47.2 -67.6 -35.1 44.8 19.2 8.8 118 122 A F H <5S+ 0 0 5 -4,-2.8 3,-0.4 3,-0.2 219,-0.2 0.886 111.0 51.5 -73.4 -38.9 42.1 18.7 6.1 119 123 A L H <5S+ 0 0 99 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.916 115.1 41.7 -58.0 -46.5 43.6 21.3 3.7 120 124 A V T <5S- 0 0 97 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.473 113.5-119.4 -85.8 -5.1 47.1 19.7 4.0 121 125 A G T 5 + 0 0 40 -4,-0.4 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0.931 111.9 45.1 -57.7 -48.2 16.5 29.4 20.6 247 252 A F H X>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-0.6 0.972 117.4 43.2 -58.4 -57.7 18.4 31.1 23.4 248 253 A F H ><5S+ 0 0 10 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.908 115.1 49.7 -55.1 -47.1 21.8 29.6 22.4 249 254 A T H 3<5S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.831 115.0 40.4 -68.9 -34.1 21.2 30.3 18.7 250 255 A L H 3<5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.383 109.5-117.0 -94.5 4.0 20.2 33.9 18.9 251 256 A S T X<> + 0 0 0 -3,-0.8 3,-0.8 -4,-0.6 6,-0.7 0.800 58.2 161.5 62.7 33.1 22.8 34.8 21.6 252 257 A L T 3 < + 0 0 0 -5,-2.1 -1,-0.2 -6,-0.3 159,-0.2 -0.664 60.1 17.0 -88.4 139.3 20.0 35.6 24.1 253 258 A G T 3 5S+ 0 0 0 -2,-0.3 -1,-0.2 157,-0.2 157,-0.2 0.549 99.8 100.0 77.8 9.5 20.8 35.7 27.8 254 259 A F T < 5S- 0 0 0 -3,-0.8 -2,-0.1 -7,-0.1 -154,-0.1 0.454 88.6-127.0-100.4 -8.1 24.5 35.9 26.9 255 260 A G T >5S+ 0 0 2 -4,-0.2 4,-1.2 152,-0.1 -182,-0.1 0.570 85.3 105.1 69.9 10.6 24.8 39.7 27.4 256 261 A A H > S+ 0 0 1 -6,-0.7 4,-2.3 2,-0.2 5,-0.1 0.898 112.9 51.7 -63.2 -41.8 23.4 41.3 21.9 258 263 A I H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.923 108.8 48.0 -60.4 -49.4 23.2 44.0 24.6 259 264 A T H < S+ 0 0 0 -4,-1.2 3,-0.4 1,-0.2 -1,-0.2 0.927 114.0 46.7 -61.0 -46.7 26.9 44.9 24.4 260 265 A Y H >< S+ 0 0 1 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.883 110.2 53.8 -59.2 -42.1 26.8 45.2 20.6 261 266 A A H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.741 93.2 71.3 -67.1 -24.6 23.5 47.2 20.7 262 267 A S T 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.510 92.8 58.5 -70.1 -5.3 25.2 49.7 23.1 263 268 A Y T < S+ 0 0 4 -3,-1.4 -259,-1.6 -4,-0.1 2,-0.5 0.352 83.3 101.8-103.2 1.5 27.3 50.9 20.1 264 269 A V S < S- 0 0 3 -3,-1.7 -198,-0.1 -261,-0.2 -197,-0.1 -0.754 86.5-104.5 -82.9 128.8 24.1 51.8 18.1 265 270 A R > - 0 0 121 -2,-0.5 3,-1.0 -261,-0.2 -2,-0.1 -0.218 30.7-111.5 -53.7 142.4 23.4 55.5 18.1 266 271 A K T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -4,-0.1 -199,-0.1 0.729 115.6 41.8 -49.8 -31.5 20.6 56.6 20.5 267 272 A D T 3 S+ 0 0 104 2,-0.1 -1,-0.3 167,-0.0 -2,-0.1 0.728 90.4 110.2 -89.9 -27.6 18.3 57.6 17.6 268 273 A Q S < S- 0 0 37 -3,-1.0 167,-0.1 1,-0.1 2,-0.1 -0.069 75.7 -94.9 -60.5 149.2 19.0 54.6 15.2 269 274 A D + 0 0 6 1,-0.1 166,-0.2 165,-0.1 -1,-0.1 -0.355 41.3 165.5 -63.5 137.0 16.4 51.8 14.5 270 275 A I > + 0 0 0 161,-0.3 4,-1.9 163,-0.2 5,-0.2 0.483 66.8 69.6-122.5 -17.1 16.5 48.6 16.5 271 276 A V H > S+ 0 0 0 160,-0.2 4,-1.7 166,-0.2 5,-0.1 0.979 110.6 28.3 -68.0 -58.4 13.1 47.1 15.5 272 277 A L H > S+ 0 0 48 165,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 122.7 53.8 -70.9 -38.3 13.8 46.3 11.8 273 278 A S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.881 111.2 44.5 -63.4 -42.2 17.5 45.8 12.5 274 279 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.841 113.5 50.5 -70.7 -36.6 16.9 43.3 15.3 275 280 A L H X S+ 0 0 52 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.888 110.6 49.8 -67.4 -40.2 14.3 41.4 13.3 276 281 A T H X S+ 0 0 50 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.927 112.0 47.3 -64.5 -47.5 16.6 41.2 10.3 277 282 A A H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.918 114.3 47.3 -58.7 -46.3 19.5 39.8 12.4 278 283 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.869 114.8 46.8 -63.4 -38.9 17.1 37.3 14.1 279 284 A T H X S+ 0 0 50 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.850 108.7 54.0 -74.2 -37.6 15.7 36.3 10.7 280 285 A L H X S+ 0 0 65 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.896 108.5 51.2 -59.6 -42.3 19.1 35.9 9.1 281 286 A N H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.906 108.1 50.8 -60.6 -44.9 20.2 33.6 11.9 282 287 A E H X>S+ 0 0 17 -4,-1.5 4,-3.2 2,-0.2 5,-0.5 0.837 109.3 50.5 -66.3 -35.5 17.1 31.4 11.5 283 288 A K H X>S+ 0 0 121 -4,-1.7 5,-1.6 2,-0.2 4,-1.6 0.941 112.2 47.0 -63.7 -49.2 17.7 31.0 7.7 284 289 A A H <>S+ 0 0 10 -4,-2.2 5,-2.2 3,-0.2 -2,-0.2 0.798 119.6 43.6 -60.6 -28.5 21.3 30.1 8.4 285 290 A E H <>S+ 0 0 0 -4,-1.7 5,-1.0 3,-0.2 -2,-0.2 0.953 123.9 25.7 -83.2 -56.1 20.0 27.6 11.0 286 291 A V H <5S+ 0 0 21 -4,-3.2 -3,-0.2 3,-0.2 -2,-0.1 0.814 132.6 33.1 -84.7 -31.7 17.0 25.8 9.6 287 292 A I T <> S+ 0 0 3 -5,-0.3 4,-2.9 -4,-0.3 5,-0.3 0.950 113.5 47.9 -59.9 -55.5 21.2 15.5 8.9 295 300 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.839 114.1 48.3 -59.2 -34.1 20.6 14.8 5.2 296 301 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.902 113.9 46.1 -69.5 -43.7 24.2 13.6 4.7 297 302 A A H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 5,-0.3 0.867 115.6 46.7 -63.2 -41.1 23.9 11.3 7.8 298 303 A V H X S+ 0 0 2 -4,-2.9 4,-2.1 3,-0.2 -2,-0.2 0.876 108.9 54.9 -71.7 -39.6 20.5 10.0 6.6 299 304 A A H < S+ 0 0 0 -4,-2.2 -86,-0.3 -5,-0.3 -84,-0.3 0.949 118.5 32.9 -57.3 -50.6 21.6 9.4 3.0 300 305 A F H < S+ 0 0 41 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.796 136.6 19.6 -78.8 -31.8 24.6 7.2 4.1 301 306 A F H < S- 0 0 30 -4,-1.9 4,-0.4 1,-0.2 -3,-0.2 0.542 100.9-117.5-118.3 -12.8 23.1 5.5 7.2 302 307 A G X - 0 0 16 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 -0.161 42.7 -69.7 84.7 170.2 19.3 5.8 7.0 303 308 A V H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.936 127.1 49.9 -65.2 -51.3 17.1 7.7 9.5 304 309 A A H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.818 113.4 45.7 -63.3 -35.7 17.4 5.4 12.6 305 310 A N H > S+ 0 0 99 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.817 110.5 54.1 -75.7 -32.4 21.2 5.2 12.5 306 311 A A H X S+ 0 0 4 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.836 108.9 49.2 -67.6 -36.1 21.5 9.0 11.9 307 312 A V H X S+ 0 0 30 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.921 110.4 50.2 -66.2 -46.5 19.4 9.5 15.1 308 313 A A H X S+ 0 0 58 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.862 108.8 52.3 -60.5 -40.4 21.6 7.1 17.1 309 314 A I H X S+ 0 0 25 -4,-1.9 4,-0.9 1,-0.2 3,-0.4 0.904 108.5 51.0 -60.3 -44.8 24.7 8.9 15.9 310 315 A A H < S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.816 108.8 51.1 -63.1 -34.6 23.2 12.3 17.1 311 316 A K H < S+ 0 0 118 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.719 99.9 65.9 -75.0 -23.5 22.4 10.9 20.5 312 317 A A H < S- 0 0 70 -4,-1.0 2,-0.3 -3,-0.4 -1,-0.2 0.839 118.1 -19.6 -69.6 -37.0 26.0 9.6 21.0 313 318 A G X - 0 0 18 -4,-0.9 4,-0.6 -3,-0.2 -1,-0.3 -0.959 44.9-127.1-170.7 151.8 27.7 13.0 21.1 314 319 A A T 4 S+ 0 0 55 -2,-0.3 4,-0.4 1,-0.2 3,-0.1 0.804 118.2 40.0 -71.1 -30.6 27.3 16.6 20.2 315 320 A F T >>S+ 0 0 51 1,-0.1 4,-2.2 2,-0.1 5,-0.6 0.502 95.9 84.2 -96.3 -7.4 30.7 16.5 18.4 316 321 A N H >>S+ 0 0 20 3,-0.2 5,-3.1 1,-0.2 4,-0.9 0.889 93.4 42.6 -60.3 -44.6 30.0 13.0 16.9 317 322 A L H <>S+ 0 0 3 -4,-0.6 5,-2.4 3,-0.2 -1,-0.2 0.897 123.3 33.4 -73.8 -43.8 28.1 14.3 13.9 318 323 A G H 45S+ 0 0 1 -4,-0.4 -2,-0.2 3,-0.2 -1,-0.1 0.774 128.7 30.9 -87.2 -31.5 30.2 17.3 12.9 319 324 A F H <5S+ 0 0 1 -4,-2.2 -3,-0.2 3,-0.1 -2,-0.1 0.623 134.7 18.4-103.7 -19.3 33.8 16.2 13.8 320 325 A I T X S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.853 113.2 53.1 -59.1 -33.4 34.1 14.1 7.5 324 329 A A H < S+ 0 0 2 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.910 110.3 46.9 -63.6 -45.3 33.9 10.3 7.4 325 330 A I H >< S+ 0 0 4 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.926 111.2 51.6 -59.4 -47.7 31.0 10.5 5.0 326 331 A F H >< S+ 0 0 1 -4,-2.8 3,-2.2 1,-0.3 6,-0.2 0.853 99.3 64.4 -59.5 -37.2 32.9 13.1 2.9 327 332 A S T 3< S+ 0 0 34 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.685 94.7 60.5 -61.1 -20.5 35.9 10.8 2.6 328 333 A Q T < S+ 0 0 89 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.3 0.435 99.4 72.2 -85.6 -1.2 33.7 8.4 0.7 329 334 A T S X S- 0 0 22 -3,-2.2 3,-1.8 -4,-0.1 4,-0.2 -0.835 97.2 -91.2-115.3 153.0 33.2 11.0 -2.0 330 335 A A T 3 S+ 0 0 97 -2,-0.3 -2,-0.1 1,-0.3 -3,-0.0 -0.419 114.3 10.2 -65.2 130.2 35.6 12.4 -4.7 331 336 A G T 3> S+ 0 0 56 -2,-0.2 4,-1.8 -4,-0.1 3,-0.4 0.653 88.3 144.1 73.4 19.1 37.5 15.5 -3.4 332 337 A G H <> + 0 0 4 -3,-1.8 4,-1.6 1,-0.2 -5,-0.2 0.719 60.5 57.9 -65.9 -29.1 36.1 14.7 0.1 333 338 A T H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 109.7 45.6 -66.2 -43.8 39.1 15.8 2.1 334 339 A F H > S+ 0 0 115 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.874 110.9 53.1 -65.1 -39.0 38.9 19.3 0.5 335 340 A L H X S+ 0 0 10 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.822 106.5 53.8 -64.1 -32.9 35.1 19.2 1.2 336 341 A G H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.901 107.0 51.9 -62.3 -42.9 36.1 18.4 4.8 337 342 A F H X S+ 0 0 29 -4,-1.8 4,-2.7 -219,-0.2 -2,-0.2 0.910 107.8 50.1 -60.1 -46.0 38.3 21.5 4.8 338 343 A L H X S+ 0 0 21 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.856 109.7 52.2 -63.8 -37.7 35.4 23.7 3.6 339 344 A W H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.943 114.2 41.2 -59.4 -51.8 33.2 22.4 6.3 340 345 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -225,-0.2 0.834 113.7 52.9 -70.4 -32.0 35.7 23.1 9.1 341 346 A F H X S+ 0 0 62 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.902 109.2 50.2 -65.6 -42.5 36.6 26.5 7.5 342 347 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.917 112.2 47.8 -57.6 -46.2 32.8 27.3 7.5 343 348 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.873 109.6 53.2 -64.3 -39.2 32.7 26.3 11.2 344 349 A F H X S+ 0 0 8 -4,-2.3 4,-3.1 -233,-0.2 -2,-0.2 0.943 112.4 42.7 -62.2 -49.9 35.8 28.4 12.1 345 350 A F H X S+ 0 0 28 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.870 114.3 52.2 -64.9 -37.6 34.4 31.6 10.5 346 351 A A H X S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.909 115.3 42.1 -62.0 -43.1 31.0 30.8 12.1 347 352 A G H >X S+ 0 0 0 -4,-2.6 4,-2.3 -327,-0.2 3,-0.6 0.907 110.6 55.5 -69.1 -44.0 32.8 30.4 15.5 348 353 A L H 3X S+ 0 0 1 -4,-3.1 4,-1.8 1,-0.3 5,-0.2 0.893 105.3 50.9 -60.7 -44.1 35.1 33.4 15.2 349 354 A T H 3< S+ 0 0 3 -4,-1.8 4,-0.3 1,-0.2 -1,-0.3 0.749 115.4 44.8 -65.8 -23.2 32.3 35.9 14.5 350 355 A S H S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.941 107.2 45.8 -54.2 -48.1 31.1 42.3 27.1 358 363 A M H > S+ 0 0 5 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.896 115.1 47.7 -61.9 -42.1 34.2 41.8 29.3 359 364 A I H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.907 110.9 51.1 -62.6 -45.0 36.1 44.3 27.2 360 365 A A H X S+ 0 0 0 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.883 109.1 51.6 -62.1 -40.1 33.2 46.8 27.3 361 366 A F H X>S+ 0 0 3 -4,-2.5 4,-2.3 -5,-0.2 5,-1.0 0.931 110.2 47.7 -60.8 -47.6 33.1 46.5 31.1 362 367 A L H <5S+ 0 0 9 -4,-1.9 6,-2.7 3,-0.2 4,-0.4 0.864 119.2 39.7 -65.5 -37.7 36.9 47.2 31.5 363 368 A E H <5S+ 0 0 35 -4,-2.1 4,-0.4 4,-0.3 -2,-0.2 0.933 123.1 38.0 -72.6 -51.7 36.7 50.2 29.1 364 369 A D H <5S+ 0 0 18 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.931 130.3 22.8 -68.9 -49.5 33.4 51.7 30.3 365 370 A E T <5S+ 0 0 19 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.787 133.5 31.2 -99.0 -33.3 33.5 51.1 34.1 366 371 A L S - 0 0 58 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.296 32.1-107.2 -64.2 161.1 42.2 51.5 27.2 370 375 A R H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 119.7 55.7 -57.3 -44.2 40.9 49.1 24.5 371 376 A K H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 113.2 39.0 -53.6 -51.7 44.4 47.6 24.2 372 377 A H H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.849 114.8 53.5 -71.5 -36.3 44.6 46.7 27.9 373 378 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.895 112.8 44.1 -64.3 -41.4 41.0 45.6 28.1 374 379 A V H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.914 114.8 48.1 -69.9 -45.0 41.4 43.2 25.2 375 380 A L H X S+ 0 0 78 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.867 112.7 47.1 -67.4 -39.8 44.7 41.8 26.4 376 381 A W H X S+ 0 0 156 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.857 112.4 51.1 -67.7 -37.6 43.5 41.2 30.0 377 382 A T H X S+ 0 0 2 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.914 111.2 47.5 -63.7 -45.5 40.3 39.6 28.7 378 383 A A H X S+ 0 0 15 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.901 110.8 53.8 -59.6 -41.9 42.3 37.3 26.4 379 384 A A H X S+ 0 0 43 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.885 110.5 44.4 -61.8 -44.6 44.6 36.5 29.4 380 385 A I H X S+ 0 0 29 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.912 117.4 45.1 -67.7 -44.0 41.7 35.4 31.6 381 386 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.944 114.8 48.0 -65.2 -49.2 40.0 33.4 28.9 382 387 A F H < S+ 0 0 55 -4,-3.3 4,-0.4 -5,-0.2 -2,-0.2 0.920 115.2 45.3 -55.6 -49.3 43.3 31.7 27.8 383 388 A F H >< S+ 0 0 133 -4,-2.3 3,-1.5 -5,-0.2 4,-0.3 0.948 113.8 47.5 -60.9 -52.2 44.2 30.9 31.4 384 389 A S H >X S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.3 4,-0.6 0.735 98.5 70.7 -62.9 -26.1 40.8 29.5 32.4 385 390 A A H 3X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.3 -1,-0.3 0.681 79.6 76.5 -68.2 -18.0 40.6 27.4 29.2 386 391 A H H <> S+ 0 0 52 -3,-1.5 4,-1.5 -4,-0.4 -1,-0.3 0.781 91.2 56.2 -61.5 -26.6 43.3 25.1 30.6 387 392 A L H <> S+ 0 0 33 -3,-1.4 4,-2.1 -4,-0.3 -1,-0.2 0.921 110.3 42.2 -66.7 -46.3 40.5 23.7 32.8 388 393 A V H < S+ 0 0 3 -4,-0.6 7,-0.3 1,-0.2 -2,-0.2 0.832 115.7 51.1 -71.1 -34.0 38.4 22.8 29.7 389 394 A M H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.816 122.8 26.6 -70.0 -34.9 41.5 21.5 27.8 390 395 A F H < S+ 0 0 83 -4,-1.5 -233,-2.5 -5,-0.2 2,-0.6 0.624 106.2 71.7-112.9 -18.6 42.7 19.2 30.6 391 396 A L B >< S-A 156 0A 17 -4,-2.1 3,-1.8 -235,-0.2 4,-0.5 -0.909 80.0-125.9-108.1 115.3 39.8 18.1 32.7 392 397 A N T 3 S+ 0 0 42 -237,-1.9 -3,-0.1 -2,-0.6 -2,-0.1 -0.336 91.9 9.0 -59.6 130.0 37.3 15.7 31.1 393 398 A K T 3> S+ 0 0 115 -5,-0.2 4,-1.6 -2,-0.1 -1,-0.3 0.451 91.0 114.5 75.7 4.1 33.7 16.9 31.1 394 399 A S H <> S+ 0 0 2 -3,-1.8 4,-2.2 -7,-0.2 5,-0.2 0.911 76.5 55.2 -63.3 -42.6 34.6 20.4 32.4 395 400 A L H > S+ 0 0 22 -4,-0.5 4,-2.2 -7,-0.3 -1,-0.2 0.899 106.7 49.7 -52.9 -47.4 33.4 21.7 29.0 396 401 A D H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.856 110.1 50.5 -61.8 -41.7 30.0 20.0 29.6 397 402 A E H X S+ 0 0 10 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.876 112.1 46.1 -66.8 -41.4 29.6 21.5 33.1 398 403 A M H X>S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-1.1 0.879 111.2 53.2 -67.4 -40.3 30.4 25.1 31.9 399 404 A D H <5S+ 0 0 42 -4,-2.2 5,-0.2 -5,-0.2 -2,-0.2 0.804 112.4 46.0 -65.3 -32.0 28.0 24.6 29.0 400 405 A F H X>S+ 0 0 23 -4,-1.5 5,-3.3 3,-0.2 4,-0.9 0.968 116.5 39.1 -74.3 -57.1 25.3 23.6 31.4 401 406 A W H <>S+ 0 0 59 -4,-2.2 5,-0.8 3,-0.2 -2,-0.2 0.830 135.9 16.5 -67.5 -35.3 25.6 26.3 34.1 402 407 A A T <>S+ 0 0 0 -4,-2.0 5,-1.0 -5,-0.2 -3,-0.2 0.859 131.7 39.4-100.9 -55.5 26.3 29.2 31.8 403 408 A G T 4S+ 0 0 49 -4,-2.2 5,-2.0 2,-0.2 4,-1.7 0.922 114.4 46.8 -60.7 -46.9 11.4 41.2 34.5 417 422 A I H <>S+ 0 0 3 -4,-2.5 5,-2.4 3,-0.2 -2,-0.2 0.877 121.4 36.1 -64.8 -39.5 13.8 44.2 35.0 418 423 A F H <5S+ 0 0 0 -4,-1.9 5,-0.4 -5,-0.2 9,-0.2 0.913 128.5 29.8 -81.9 -45.4 13.0 45.9 31.7 419 424 A F H <5S+ 0 0 1 -4,-2.8 5,-0.5 -5,-0.2 -3,-0.2 0.590 132.0 25.6 -97.3 -13.1 9.2 45.1 31.4 420 425 A W T <5S+ 0 0 137 -4,-1.7 4,-0.2 -5,-0.4 -3,-0.2 0.757 128.9 29.7-114.8 -48.2 8.0 44.9 35.0 421 426 A I T - 0 0 19 -5,-0.4 4,-2.8 -6,-0.2 -3,-0.2 0.028 15.8-122.9 128.8 126.5 8.0 49.8 33.4 424 429 A A H > S+ 0 0 8 -5,-0.5 4,-3.0 -4,-0.2 5,-0.2 0.876 113.1 45.3 -56.3 -43.9 6.2 48.0 30.5 425 430 A D H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.850 114.9 46.7 -74.8 -35.8 5.1 51.3 28.9 426 431 A K H > S+ 0 0 123 2,-0.2 4,-2.1 3,-0.1 -2,-0.2 0.875 115.5 48.3 -67.3 -39.5 8.6 52.9 29.3 427 432 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 -9,-0.2 -2,-0.2 0.954 110.6 49.5 -63.9 -52.2 10.1 49.7 27.9 428 433 A W H X S+ 0 0 54 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.863 112.8 48.4 -54.2 -42.5 7.7 49.5 25.0 429 434 A E H X S+ 0 0 114 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.894 109.4 51.8 -65.1 -43.2 8.4 53.2 24.1 430 435 A E H < S+ 0 0 26 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.870 110.4 49.6 -64.3 -37.1 12.2 52.6 24.3 431 436 A I H < S+ 0 0 0 -4,-2.2 -161,-0.3 1,-0.2 -160,-0.2 0.941 116.1 40.7 -64.0 -49.1 12.0 49.6 22.0 432 437 A N H >< S+ 0 0 17 -4,-1.9 3,-2.4 -5,-0.2 -2,-0.2 0.694 85.2 112.8 -77.9 -22.7 9.9 51.5 19.3 433 438 A R T 3< S+ 0 0 69 -4,-1.9 -163,-0.2 1,-0.3 -162,-0.1 -0.327 91.7 6.2 -58.3 121.6 11.7 54.8 19.5 434 439 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.3 -2,-0.1 -165,-0.1 0.409 93.6 157.2 86.1 -0.5 13.5 55.4 16.2 435 440 A G < - 0 0 28 -3,-2.4 -1,-0.3 1,-0.2 3,-0.1 -0.320 42.8-155.0 -63.4 133.2 12.0 52.3 14.6 436 441 A I S S+ 0 0 105 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.837 94.7 20.0 -70.0 -37.4 11.8 52.1 10.8 437 442 A I S S- 0 0 67 -3,-0.0 2,-0.3 3,-0.0 -165,-0.2 -0.869 89.7-119.7-120.7 161.8 8.9 49.7 11.6 438 443 A K - 0 0 170 -2,-0.3 3,-0.1 -167,-0.1 -6,-0.0 -0.769 30.4-105.1 -98.1 150.0 6.9 49.4 14.8 439 444 A V - 0 0 6 -2,-0.3 5,-0.1 -11,-0.2 -7,-0.1 -0.599 49.4 -98.4 -68.8 125.7 6.6 46.2 16.9 440 445 A P > - 0 0 68 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.198 31.7-121.2 -44.8 134.3 3.2 44.6 16.3 441 446 A R T >> S+ 0 0 184 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.799 107.8 65.9 -53.6 -38.3 0.9 45.6 19.1 442 447 A I H >> S+ 0 0 118 1,-0.3 4,-1.4 2,-0.2 3,-0.6 0.797 89.8 68.1 -56.0 -30.2 0.2 41.9 20.2 443 448 A Y H <> S+ 0 0 35 -3,-1.7 4,-2.9 1,-0.2 -1,-0.3 0.674 86.3 67.2 -67.6 -18.8 3.9 41.7 21.2 444 449 A Y H <> S+ 0 0 23 -3,-1.9 4,-1.8 -4,-0.3 -1,-0.2 0.926 107.1 40.0 -61.6 -45.3 3.3 44.1 24.1 445 450 A Y H S+ 0 0 101 -3,-0.6 4,-1.9 -4,-0.6 5,-1.4 0.759 115.3 53.0 -76.4 -27.8 1.1 41.5 25.7 446 451 A V H <>S+ 0 0 12 -4,-1.4 5,-3.1 3,-0.2 -2,-0.2 0.949 112.6 43.7 -67.6 -50.8 3.5 38.7 24.7 447 452 A M H <5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.859 121.7 39.3 -61.7 -39.1 6.5 40.5 26.2 448 453 A R H <5S+ 0 0 81 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.855 135.8 5.5 -83.7 -37.8 4.7 41.4 29.4 449 454 A Y T X5S+ 0 0 117 -4,-1.9 4,-1.0 -5,-0.1 -3,-0.2 0.783 126.0 44.1-118.0 -44.4 2.6 38.3 30.1 450 455 A I H > S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.872 115.5 45.2 -63.6 -36.0 7.8 35.6 31.3 453 458 A A H X S+ 0 0 53 -4,-1.0 4,-2.0 2,-0.2 5,-0.2 0.846 111.7 54.3 -72.0 -35.7 5.2 32.9 32.2 454 459 A F H X S+ 0 0 50 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.939 113.8 40.1 -58.6 -51.9 6.6 30.7 29.4 455 460 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.787 113.0 54.9 -72.1 -31.9 10.1 30.9 30.8 456 461 A A H X S+ 0 0 40 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.913 110.6 44.5 -69.2 -44.2 9.1 30.6 34.4 457 462 A V H X S+ 0 0 94 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.911 113.3 52.3 -64.3 -44.2 7.2 27.4 33.9 458 463 A L H X S+ 0 0 14 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.908 110.1 47.3 -56.6 -48.1 10.0 26.0 31.8 459 464 A L H X S+ 0 0 31 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.737 109.3 55.3 -68.8 -26.2 12.6 26.7 34.5 460 465 A V H X S+ 0 0 64 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.931 108.9 45.2 -70.9 -48.3 10.4 25.2 37.2 461 466 A V H X S+ 0 0 45 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.849 112.8 54.9 -63.3 -34.8 10.1 21.8 35.3 462 467 A W H X>S+ 0 0 20 -4,-1.7 4,-1.9 -5,-0.2 5,-1.7 0.960 110.0 42.7 -60.6 -56.2 13.9 22.0 34.7 463 468 A A H <5S+ 0 0 54 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.783 121.9 41.4 -65.1 -30.2 14.9 22.4 38.4 464 469 A R H <5S+ 0 0 178 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.917 127.3 23.5 -82.0 -48.8 12.4 19.7 39.5 465 470 A E H <5S+ 0 0 112 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.508 131.7 25.2-103.3 -7.7 12.6 17.0 36.9 466 471 A Y T X5S+ 0 0 80 -4,-1.9 4,-0.7 -5,-0.3 3,-0.2 0.700 109.5 54.2-130.8 -36.5 16.1 17.4 35.4 467 472 A I H > S+ 0 0 60 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.824 101.2 52.7 -63.4 -28.1 18.5 16.9 40.7 469 474 A K H > S+ 0 0 120 -3,-0.2 4,-3.7 2,-0.2 3,-0.3 0.894 108.8 47.6 -68.0 -43.4 20.1 14.1 38.6 470 475 A I H < S+ 0 0 47 -4,-0.7 -1,-0.2 1,-0.2 4,-0.2 0.807 112.7 50.2 -70.3 -29.6 23.0 16.4 37.5 471 476 A M H < S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.710 127.3 22.4 -77.7 -21.8 23.5 17.4 41.1 472 477 A E H < S+ 0 0 152 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.2 0.680 117.7 55.0-119.4 -27.3 23.6 13.8 42.4 473 478 A E S < S+ 0 0 147 -4,-3.7 2,-0.3 -5,-0.2 -3,-0.1 0.003 86.6 98.4-104.9 29.0 24.5 11.5 39.5 474 479 A T S S- 0 0 62 -4,-0.2 2,-0.0 1,-0.1 -4,-0.0 -0.781 78.5 -94.4-114.2 159.8 27.8 13.1 38.3 475 480 A H > - 0 0 97 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.355 39.5-112.6 -64.2 149.0 31.5 12.3 38.9 476 481 A W T > S+ 0 0 173 1,-0.3 3,-1.5 2,-0.1 4,-0.2 0.698 108.1 76.9 -59.3 -22.9 33.2 14.3 41.8 477 482 A T T >> S+ 0 0 9 1,-0.3 3,-1.3 2,-0.2 4,-0.9 0.624 74.1 78.0 -67.0 -14.2 35.4 16.2 39.3 478 483 A V H <> S+ 0 0 12 -3,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.809 84.8 64.8 -61.8 -29.3 32.4 18.5 38.4 479 484 A W H <> S+ 0 0 141 -3,-1.5 4,-1.8 -4,-0.2 -1,-0.2 0.642 92.9 60.7 -68.8 -18.1 33.0 20.3 41.6 480 485 A I H <> S+ 0 0 63 -3,-1.3 4,-2.3 -4,-0.2 -1,-0.2 0.935 110.7 39.4 -69.0 -48.7 36.4 21.5 40.3 481 486 A T H X S+ 0 0 1 -4,-0.9 4,-2.7 2,-0.2 5,-0.3 0.911 117.0 50.0 -66.5 -45.2 34.7 23.3 37.4 482 487 A R H X S+ 0 0 7 -4,-2.5 4,-1.8 2,-0.2 5,-0.2 0.920 111.2 50.1 -57.4 -46.8 31.8 24.5 39.7 483 488 A F H X S+ 0 0 160 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.935 113.2 45.9 -57.6 -48.0 34.4 25.7 42.2 484 489 A Y H X S+ 0 0 60 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.910 113.6 45.7 -65.3 -45.7 36.3 27.6 39.5 485 490 A I H X S+ 0 0 4 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.758 110.3 54.7 -73.7 -24.4 33.4 29.3 37.8 486 491 A I H X S+ 0 0 99 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.872 107.5 51.8 -69.6 -39.0 31.9 30.3 41.1 487 492 A G H X S+ 0 0 34 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.871 105.2 55.5 -60.8 -40.3 35.3 32.0 41.8 488 493 A L H X S+ 0 0 8 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.869 105.9 51.4 -59.7 -39.5 34.9 33.8 38.5 489 494 A F H X S+ 0 0 38 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.911 110.7 47.9 -63.2 -43.7 31.6 35.2 39.6 490 495 A L H X S+ 0 0 115 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.868 110.2 52.7 -64.6 -39.0 33.2 36.4 42.8 491 496 A F H X S+ 0 0 79 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.933 111.5 45.3 -60.3 -47.8 36.0 38.0 40.9 492 497 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.837 110.0 55.1 -67.5 -34.4 33.6 39.9 38.6 493 498 A T H X S+ 0 0 44 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.903 106.8 51.2 -61.2 -43.4 31.6 40.9 41.6 494 499 A F H X S+ 0 0 115 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.851 108.4 52.0 -62.7 -35.8 34.8 42.4 43.1 495 500 A L H X S+ 0 0 17 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.823 107.7 50.7 -69.7 -33.7 35.3 44.3 39.8 496 501 A V H X S+ 0 0 14 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.887 109.9 52.1 -68.2 -39.6 31.8 45.7 40.0 497 502 A F H X S+ 0 0 86 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.898 111.1 46.1 -58.4 -45.7 32.6 46.8 43.5 498 503 A L H X S+ 0 0 66 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.837 108.7 56.6 -68.1 -34.5 35.8 48.5 42.3 499 504 A A H X S+ 0 0 9 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.864 109.3 45.1 -64.8 -39.1 34.0 50.2 39.5 500 505 A E H X S+ 0 0 22 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.845 111.2 52.2 -76.2 -34.5 31.5 51.8 41.8 501 506 A R H X S+ 0 0 102 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.877 110.1 50.0 -64.5 -38.7 34.2 52.9 44.3 502 507 A R H X S+ 0 0 57 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.868 109.9 50.9 -65.6 -38.4 36.0 54.5 41.3 503 508 A R H X S+ 0 0 113 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.880 108.2 52.4 -64.5 -41.2 32.8 56.2 40.3 504 509 A N H X S+ 0 0 87 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.855 111.4 45.5 -64.4 -39.0 32.4 57.5 43.9 505 510 A H H < S+ 0 0 130 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.818 112.1 53.1 -70.1 -33.5 35.9 59.0 43.9 506 511 A E H >X S+ 0 0 89 -4,-1.7 4,-0.8 1,-0.2 3,-0.6 0.807 108.9 48.6 -71.3 -32.7 35.2 60.5 40.4 507 512 A S H 3< S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.601 110.0 52.6 -81.8 -15.3 32.0 62.1 41.7 508 513 A A T 3< S+ 0 0 89 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.290 108.2 53.2 -98.3 5.4 34.0 63.5 44.6 509 514 A G T <4 0 0 63 -3,-0.6 -2,-0.2 -5,-0.0 -3,-0.1 0.627 360.0 360.0-110.1 -24.4 36.5 65.0 42.2 510 515 A T < 0 0 158 -4,-0.8 -3,-0.1 0, 0.0 -2,-0.1 0.728 360.0 360.0-102.7 360.0 34.3 67.0 39.9 511 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 512 601 A M 0 0 0 0, 0.0 -490,-1.6 0, 0.0 -491,-0.7 0.000 360.0 360.0 360.0 360.0 26.0 31.6 19.2