==== 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 3F3E . 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) . 20035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 81.8 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 . 56 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 316 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 5.5 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 3 1 2 2 3 2 1 0 1 2 0 2 3 1 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 0 102 0, 0.0 2,-0.0 0, 0.0 262,-0.0 0.000 360.0 360.0 360.0 146.1 32.2 55.9 22.7 2 6 A E - 0 0 54 262,-0.0 2,-0.3 1,-0.0 179,-0.0 -0.360 360.0-163.8 -68.5 154.4 32.7 53.9 19.6 3 7 A H - 0 0 54 262,-0.0 261,-0.2 -2,-0.0 180,-0.1 -0.985 30.4 -96.1-135.5 151.9 29.8 53.4 17.2 4 8 A W - 0 0 6 259,-1.4 261,-0.2 -2,-0.3 179,-0.1 -0.414 34.1-145.3 -58.6 140.4 29.1 51.0 14.3 5 9 A A S S+ 0 0 73 1,-0.1 2,-0.3 177,-0.1 -1,-0.1 0.845 72.1 23.0 -83.7 -38.0 30.1 52.9 11.1 6 10 A T > - 0 0 56 1,-0.1 4,-2.3 177,-0.0 5,-0.2 -0.928 68.3-125.2-132.7 155.6 27.4 51.5 8.8 7 11 A R H > S+ 0 0 71 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.930 115.7 46.8 -60.8 -48.5 24.0 50.0 8.9 8 12 A L H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 111.0 53.2 -61.6 -42.1 25.2 46.9 6.9 9 13 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 109.7 48.0 -56.2 -46.6 28.3 46.7 9.1 10 14 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.910 113.0 48.5 -62.2 -44.7 26.1 46.6 12.2 11 15 A I H X S+ 0 0 18 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.897 113.2 45.4 -65.4 -44.0 23.8 44.0 10.8 12 16 A L H X S+ 0 0 31 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.846 112.8 51.4 -71.7 -33.1 26.6 41.7 9.6 13 17 A A H X S+ 0 0 2 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.924 114.0 43.7 -65.7 -44.6 28.4 42.0 13.0 14 18 A M H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.884 113.2 52.0 -67.0 -37.0 25.3 41.2 14.9 15 19 A A H X S+ 0 0 2 -4,-2.6 4,-3.4 1,-0.2 -2,-0.2 0.866 110.7 48.3 -65.7 -34.5 24.6 38.4 12.4 16 20 A G H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.806 105.4 57.7 -77.2 -29.6 28.1 37.0 13.0 17 21 A N H < S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.974 118.9 33.6 -56.8 -49.9 27.6 37.3 16.8 18 22 A A H < S+ 0 0 1 -4,-2.2 2,-0.8 494,-0.1 -2,-0.2 0.965 104.1 72.5 -71.8 -52.8 24.6 35.0 16.2 19 23 A V S < S+ 0 0 4 -4,-3.4 2,-0.2 493,-0.2 330,-0.1 -0.499 74.7 109.2 -75.0 108.8 25.7 32.7 13.4 20 24 A G S >> S- 0 0 0 -2,-0.8 3,-1.4 229,-0.1 4,-1.2 -0.603 84.5 -39.8-150.5-153.7 28.3 30.4 14.9 21 25 A L H 3>>S+ 0 0 9 491,-0.3 4,-2.7 1,-0.3 5,-1.7 0.771 123.8 69.8 -57.6 -25.7 29.0 26.9 16.0 22 26 A G H 34>S+ 0 0 0 490,-3.2 5,-2.6 -4,-0.2 -1,-0.3 0.847 100.5 45.9 -61.6 -34.7 25.5 26.8 17.3 23 27 A N H <45S+ 0 0 0 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.867 123.9 29.4 -74.1 -39.3 24.1 26.8 13.8 24 28 A F H <5S+ 0 0 1 -4,-1.2 269,-0.2 3,-0.1 -2,-0.2 0.746 135.3 19.9-100.4 -24.0 26.4 24.1 12.3 25 29 A L T X5S+ 0 0 16 -4,-2.7 4,-1.0 -5,-0.2 -3,-0.2 0.787 126.9 39.9-108.4 -47.9 27.2 21.8 15.2 26 30 A R H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.916 113.4 46.7 -60.1 -38.8 21.8 19.4 13.9 29 33 A V H X S+ 0 0 6 -4,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.934 114.6 45.9 -65.8 -45.7 22.5 17.4 17.1 30 34 A Q H X S+ 0 0 31 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.928 115.8 46.2 -64.1 -42.4 19.6 18.9 19.0 31 35 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.7 -5,-0.3 3,-0.6 0.937 116.5 44.9 -66.6 -42.2 17.2 18.5 16.1 32 36 A A H ><5S+ 0 0 2 -4,-2.6 3,-1.0 -5,-0.3 -2,-0.2 0.876 111.1 52.6 -69.3 -38.6 18.4 14.9 15.5 33 37 A E H 3<5S+ 0 0 63 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.659 112.1 47.8 -66.8 -19.8 18.3 14.0 19.2 34 38 A N T <<5S- 0 0 29 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 -0.017 127.7 -81.4-122.4 25.2 14.7 15.2 19.5 35 39 A G T X 5 - 0 0 38 -3,-1.0 3,-1.7 3,-0.2 2,-0.5 0.602 52.3-113.0 93.5 14.7 12.9 13.6 16.5 36 40 A G T >> S+ 0 0 1 187,-2.2 4,-0.8 -2,-0.5 192,-0.4 0.744 117.7 67.1 -57.3 -26.4 10.5 17.5 12.6 38 42 A A H <4 S+ 0 0 3 -3,-1.7 -1,-0.3 190,-0.3 -2,-0.2 0.732 102.6 47.7 -63.9 -23.2 9.2 16.8 16.1 39 43 A F H <> S+ 0 0 0 -3,-2.3 4,-1.8 -8,-0.2 -1,-0.2 0.744 99.5 70.2 -83.9 -26.6 11.8 19.3 17.3 40 44 A M H X S+ 0 0 8 -4,-0.8 4,-2.2 185,-0.2 -2,-0.2 0.739 91.2 54.1 -75.3 -25.4 10.9 21.9 14.7 41 45 A I H X S+ 0 0 43 -4,-0.8 4,-2.6 2,-0.2 5,-0.2 0.966 112.1 42.6 -73.2 -53.7 7.5 23.0 16.0 42 46 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -2,-0.2 0.890 115.4 54.4 -54.7 -38.8 8.6 23.8 19.6 43 47 A Y H X S+ 0 0 4 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.921 109.2 44.4 -62.0 -47.5 11.6 25.5 17.9 44 48 A I H X S+ 0 0 76 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.915 115.0 49.6 -65.7 -40.5 9.6 27.7 15.7 45 49 A I H X S+ 0 0 59 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.903 110.4 49.8 -64.5 -43.0 7.2 28.6 18.6 46 50 A A H X>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.2 4,-2.0 0.855 106.9 56.1 -62.2 -36.7 10.2 29.4 20.9 47 51 A F H <>S+ 0 0 30 -4,-2.1 5,-3.0 3,-0.2 -2,-0.2 0.952 114.3 39.7 -60.8 -42.6 11.6 31.6 18.1 48 52 A L H <5S+ 0 0 81 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.877 124.2 35.2 -74.8 -40.0 8.3 33.6 18.1 49 53 A L H <5S+ 0 0 49 -4,-2.7 -1,-0.2 -5,-0.1 -3,-0.2 0.620 138.5 8.8 -92.0 -14.9 7.6 33.7 21.8 50 54 A V T X5S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 5,-0.3 0.644 121.6 52.3-129.3 -53.2 11.1 34.0 23.1 51 55 A G H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.931 115.5 47.1 -62.3 -39.7 11.0 39.4 21.8 54 58 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.869 107.8 57.6 -67.6 -33.6 14.2 38.9 23.8 55 59 A M H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.943 109.5 44.6 -58.1 -49.3 16.3 40.0 20.8 56 60 A W H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.926 112.0 53.0 -63.1 -41.9 14.5 43.3 20.7 57 61 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.929 110.8 46.7 -58.8 -46.2 14.7 43.7 24.5 58 62 A E H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.896 111.1 49.9 -65.3 -41.6 18.5 43.1 24.5 59 63 A W H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.930 113.4 48.5 -60.2 -42.8 19.1 45.6 21.6 60 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.928 111.2 47.8 -67.0 -42.5 17.1 48.2 23.4 61 65 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.924 114.7 47.9 -64.5 -41.1 18.8 47.7 26.8 62 66 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.912 112.7 46.0 -63.8 -47.2 22.2 47.9 25.0 63 67 A R H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.939 113.1 52.2 -64.1 -40.9 21.4 51.0 23.0 64 68 A Y H X S+ 0 0 45 -4,-2.6 4,-0.6 -5,-0.3 -2,-0.2 0.916 113.7 42.0 -59.3 -45.7 19.9 52.6 26.2 65 69 A G H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.5 0.916 109.7 57.3 -67.5 -41.9 23.1 51.9 28.2 66 70 A G H ><5S+ 0 0 9 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.845 97.1 63.1 -60.8 -35.1 25.4 52.9 25.5 67 71 A A H 3<5S+ 0 0 53 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.784 109.0 42.4 -60.0 -26.8 23.8 56.3 25.3 68 72 A Q T <<5S- 0 0 92 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.240 127.9 -96.6-103.8 11.6 25.0 56.8 28.9 69 73 A G T < 5S+ 0 0 30 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.702 89.1 115.0 85.7 19.9 28.5 55.3 28.3 70 74 A H < + 0 0 47 -5,-2.5 -2,-0.2 -8,-0.1 -1,-0.2 -0.976 29.7 168.0-132.2 124.8 27.7 51.8 29.6 71 75 A G + 0 0 0 -2,-0.4 2,-0.3 289,-0.2 191,-0.2 0.462 58.5 70.5-112.8 -2.6 27.7 48.6 27.5 72 76 A T S >> S- 0 0 1 288,-0.2 4,-2.5 -7,-0.1 3,-0.6 -0.830 80.7-113.7-123.2 159.1 27.5 45.9 30.2 73 77 A T H 3> S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.2 5,-0.4 0.687 103.5 66.3 -67.1 -26.1 24.8 44.6 32.5 74 78 A P H 3> S+ 0 0 4 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.969 118.2 29.7 -59.0 -44.6 26.2 45.5 36.0 75 79 A A H <> S+ 0 0 15 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.895 121.3 51.9 -74.2 -45.2 25.8 49.2 35.0 76 80 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -3,-0.2 0.918 108.6 49.5 -63.7 -41.1 22.9 48.8 32.7 77 81 A F H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.883 110.9 52.4 -62.9 -35.2 20.7 46.8 35.2 78 82 A Y H < S+ 0 0 43 -4,-0.8 -1,-0.2 -5,-0.4 -2,-0.2 0.814 105.9 53.1 -72.5 -32.2 21.5 49.6 37.7 79 83 A L H < S+ 0 0 22 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.843 115.6 41.4 -64.5 -35.7 20.4 52.3 35.3 80 84 A L H < S+ 0 0 10 -4,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.703 131.7 22.5 -84.9 -24.1 17.1 50.4 34.9 81 85 A W S < S- 0 0 65 -4,-1.7 2,-2.6 -5,-0.2 -1,-0.3 -0.823 72.5-147.3-152.6 101.4 16.8 49.6 38.6 82 86 A R + 0 0 144 -2,-0.3 2,-0.3 -3,-0.2 -4,-0.1 -0.383 60.1 113.8 -76.8 71.4 18.6 51.7 41.1 83 87 A N S >> S- 0 0 69 -2,-2.6 3,-2.0 -6,-0.1 4,-0.9 -0.999 73.2-125.4-145.5 138.3 19.3 48.9 43.6 84 88 A R H 3> S+ 0 0 124 -2,-0.3 4,-1.6 1,-0.3 3,-0.5 0.839 111.8 61.1 -55.0 -34.6 22.5 47.2 44.8 85 89 A F H 3> S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.765 94.1 63.9 -64.3 -25.8 21.0 43.9 43.8 86 90 A A H <> S+ 0 0 0 -3,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.910 102.8 48.1 -62.1 -43.3 20.8 45.1 40.2 87 91 A K H X S+ 0 0 18 -4,-0.9 4,-0.7 -3,-0.5 -2,-0.2 0.911 112.5 48.5 -67.1 -42.5 24.6 45.4 40.0 88 92 A I H >< S+ 0 0 72 -4,-1.6 3,-1.1 2,-0.2 4,-0.4 0.930 113.3 45.7 -63.1 -47.0 25.0 41.9 41.5 89 93 A L H >< S+ 0 0 25 -4,-2.8 3,-1.3 1,-0.3 4,-0.3 0.860 106.7 62.9 -62.2 -33.2 22.5 40.3 39.1 90 94 A G H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.3 -1,-0.3 0.732 83.5 76.6 -62.2 -26.1 24.3 42.2 36.4 91 95 A V T XX S+ 0 0 1 -3,-1.1 4,-2.9 -4,-0.7 3,-2.1 0.833 81.7 69.3 -56.0 -31.6 27.5 40.3 37.1 92 96 A F H <> S+ 0 0 47 -3,-1.3 4,-2.4 -4,-0.4 -1,-0.3 0.806 89.4 62.2 -58.3 -26.0 25.9 37.4 35.2 93 97 A G H <4 S+ 0 0 1 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.499 113.1 35.6 -82.3 -1.0 26.2 39.4 32.0 94 98 A L H <> S+ 0 0 1 -3,-2.1 4,-1.8 -4,-0.2 -2,-0.2 0.649 120.2 48.7-103.8 -41.2 30.0 39.4 32.4 95 99 A W H X S+ 0 0 20 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.938 108.0 51.7 -69.2 -47.1 30.2 35.9 33.9 96 100 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.962 113.7 41.9 -56.0 -55.5 28.1 34.0 31.4 97 101 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.875 115.8 51.2 -65.6 -33.0 30.0 35.2 28.3 98 102 A L H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.946 112.9 43.9 -66.1 -47.6 33.4 34.8 30.0 99 103 A V H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 5,-0.2 0.914 115.7 48.6 -63.4 -41.9 32.7 31.2 31.0 100 104 A V H >X S+ 0 0 0 -4,-2.9 4,-3.2 -5,-0.3 3,-0.5 0.930 108.5 53.5 -64.3 -38.6 31.2 30.4 27.6 101 105 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.5 253,-0.2 5,-0.4 0.883 98.8 66.3 -61.8 -36.9 34.2 32.0 25.8 102 106 A I H 3< S+ 0 0 0 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.886 117.2 22.5 -55.8 -42.3 36.5 29.8 27.9 103 107 A Y H S+ 0 0 3 -5,-0.4 4,-1.8 -4,-0.4 -2,-0.2 0.965 110.2 45.3 -63.2 -46.0 38.8 26.1 22.5 107 111 A I H X S+ 0 0 13 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.929 111.4 54.1 -64.0 -38.9 36.3 24.2 20.4 108 112 A E H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 3,-0.3 0.917 103.7 56.4 -57.3 -41.0 36.7 27.0 17.8 109 113 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.885 100.1 58.5 -61.6 -34.8 40.5 26.2 17.9 110 114 A W H X S+ 0 0 9 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.896 103.1 53.2 -60.3 -38.4 39.8 22.6 17.0 111 115 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.3 233,-0.2 0.882 109.7 47.8 -66.9 -34.0 38.1 23.7 13.8 112 116 A L H X S+ 0 0 22 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.938 112.7 48.3 -68.7 -44.8 41.1 25.7 12.9 113 117 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.898 114.2 46.0 -60.5 -41.3 43.5 22.8 13.6 114 118 A F H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.903 110.4 53.8 -67.0 -42.7 41.3 20.4 11.6 115 119 A A H X S+ 0 0 3 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.947 111.0 47.5 -56.2 -48.3 41.1 23.0 8.8 116 120 A I H X S+ 0 0 64 -4,-2.7 4,-2.1 1,-0.2 6,-0.2 0.964 114.3 44.3 -56.8 -54.6 44.9 23.1 8.7 117 121 A K H <>S+ 0 0 51 -4,-2.6 5,-2.5 1,-0.2 4,-0.5 0.886 115.3 48.4 -61.1 -37.0 45.4 19.3 8.8 118 122 A F H ><5S+ 0 0 6 -4,-2.9 3,-0.8 3,-0.2 -1,-0.2 0.909 108.8 54.1 -70.7 -37.7 42.7 18.7 6.2 119 123 A L H 3<5S+ 0 0 97 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.926 114.6 40.1 -56.8 -45.2 44.1 21.4 3.9 120 124 A V T 3<5S- 0 0 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3,-0.8 -4,-0.7 6,-0.7 0.802 57.3 159.6 62.4 33.1 23.2 34.7 21.6 252 257 A L T 3 < + 0 0 0 -5,-2.0 -1,-0.2 -6,-0.3 159,-0.2 -0.676 56.3 20.4 -92.5 141.9 20.5 35.6 24.0 253 258 A G T 3 S+ 0 0 0 -2,-0.3 -1,-0.2 157,-0.1 157,-0.2 0.528 97.8 97.9 83.8 6.9 21.1 35.7 27.7 254 259 A F S < S- 0 0 0 -3,-0.8 -2,-0.1 -7,-0.1 -154,-0.1 0.301 91.2-122.4-106.1 2.0 24.9 36.0 27.2 255 260 A G S > S+ 0 0 1 1,-0.1 4,-1.7 152,-0.1 5,-0.1 0.509 88.0 107.0 70.0 0.2 25.2 39.8 27.6 256 261 A A H > S+ 0 0 0 -5,-0.4 4,-2.2 2,-0.2 5,-0.2 0.856 73.4 46.2 -84.8 -38.9 26.7 39.8 24.1 257 262 A I H > S+ 0 0 1 -6,-0.7 4,-2.6 2,-0.2 5,-0.2 0.918 113.8 53.0 -67.1 -40.6 23.8 41.3 22.1 258 263 A I H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.945 110.0 46.3 -57.3 -49.3 23.4 43.9 24.8 259 264 A T H < S+ 0 0 2 -4,-1.7 3,-0.4 1,-0.2 4,-0.2 0.922 112.9 48.4 -66.6 -41.0 27.1 44.9 24.5 260 265 A Y H >< S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.920 110.2 52.5 -61.4 -42.3 27.1 45.0 20.7 261 266 A A H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.706 91.7 76.1 -68.0 -17.8 23.9 47.2 20.8 262 267 A S T 3< S+ 0 0 1 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.608 91.9 55.2 -68.4 -8.7 25.6 49.6 23.2 263 268 A Y T < S+ 0 0 5 -3,-1.7 -259,-1.4 -4,-0.2 2,-0.4 0.341 82.7 105.2-103.9 1.3 27.6 50.9 20.1 264 269 A V S < S- 0 0 3 -3,-1.7 -198,-0.1 -261,-0.2 -197,-0.0 -0.682 85.6-102.4 -75.7 133.1 24.4 51.6 18.2 265 270 A R > - 0 0 126 -2,-0.4 3,-1.7 -261,-0.2 -1,-0.1 -0.237 30.7-111.5 -58.2 149.5 23.7 55.4 18.1 266 271 A K T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -200,-0.1 -199,-0.1 0.768 115.6 39.5 -54.1 -31.7 21.0 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 0.487 90.8 112.0 -95.5 -10.4 18.6 57.5 17.6 268 273 A Q S < S- 0 0 37 -3,-1.7 167,-0.1 1,-0.1 -4,-0.1 -0.401 74.6 -98.5 -81.7 146.7 19.3 54.6 15.3 269 274 A D + 0 0 6 165,-0.2 166,-0.2 1,-0.1 -1,-0.1 -0.252 38.9 168.8 -61.2 140.3 16.7 51.9 14.6 270 275 A I > + 0 0 0 161,-0.4 4,-2.0 163,-0.2 5,-0.3 0.433 66.7 71.8-122.5 -9.2 16.9 48.6 16.5 271 276 A V H > S+ 0 0 0 166,-0.2 4,-2.0 160,-0.2 5,-0.1 0.981 109.3 28.5 -70.6 -54.4 13.5 47.1 15.5 272 277 A L H > S+ 0 0 57 165,-0.2 4,-2.3 2,-0.2 5,-0.2 0.902 123.7 51.8 -74.3 -38.5 14.2 46.3 11.9 273 278 A S H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.959 112.1 44.9 -62.1 -49.7 17.9 45.8 12.5 274 279 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.930 113.9 49.8 -60.6 -45.5 17.4 43.4 15.4 275 280 A L H X S+ 0 0 52 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.893 110.3 51.3 -59.6 -37.5 14.7 41.5 13.5 276 281 A T H X S+ 0 0 51 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.915 109.1 48.6 -69.1 -44.0 17.0 41.2 10.5 277 282 A A H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.911 113.0 50.0 -60.2 -42.3 20.0 39.8 12.5 278 283 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.918 112.3 45.6 -63.9 -44.9 17.6 37.3 14.0 279 284 A T H X S+ 0 0 49 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.880 109.9 54.2 -67.2 -38.9 16.1 36.2 10.7 280 285 A L H X S+ 0 0 62 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.923 109.3 49.0 -60.0 -42.7 19.5 35.9 9.1 281 286 A N H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.934 109.7 51.8 -61.3 -43.4 20.6 33.7 11.9 282 287 A E H X S+ 0 0 18 -4,-2.1 4,-3.1 1,-0.2 5,-0.5 0.880 109.5 49.0 -64.3 -38.8 17.5 31.5 11.6 283 288 A K H X>S+ 0 0 115 -4,-2.4 4,-1.9 2,-0.2 5,-1.5 0.933 112.1 47.9 -63.0 -47.3 18.1 31.0 7.8 284 289 A A H <>S+ 0 0 9 -4,-2.4 5,-3.2 3,-0.2 -2,-0.2 0.862 117.5 45.6 -61.4 -35.1 21.7 30.1 8.4 285 290 A E H <>S+ 0 0 0 -4,-2.5 5,-1.8 -5,-0.2 -2,-0.2 0.986 123.7 26.2 -70.4 -61.1 20.5 27.7 11.1 286 291 A V H <5S+ 0 0 21 -4,-3.1 -3,-0.2 3,-0.2 -2,-0.2 0.859 132.2 33.6 -81.8 -31.7 17.6 25.9 9.6 287 292 A I T <5S+ 0 0 92 -4,-1.9 4,-0.4 -5,-0.5 -3,-0.2 0.909 132.9 23.0 -88.2 -45.3 18.4 26.2 5.9 288 293 A L T >> S+ 0 0 4 -5,-0.4 4,-2.9 -4,-0.2 5,-0.3 0.954 114.7 44.9 -64.1 -49.7 21.9 15.6 9.0 295 300 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -74,-0.2 0.910 114.2 50.9 -63.8 -37.3 21.2 14.9 5.3 296 301 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.951 114.0 43.4 -59.4 -50.2 24.8 13.7 4.8 297 302 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.4 0.898 115.9 47.8 -62.2 -42.7 24.6 11.3 7.7 298 303 A V H X S+ 0 0 2 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.929 108.8 54.2 -67.5 -42.9 21.1 10.1 6.7 299 304 A A H < S+ 0 0 0 -4,-2.7 -84,-0.4 -5,-0.3 -86,-0.3 0.896 118.9 34.9 -55.2 -40.3 22.2 9.6 3.1 300 305 A F H < S+ 0 0 43 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.832 136.7 16.2 -87.0 -31.9 25.1 7.4 4.2 301 306 A F H < S- 0 0 32 -4,-2.6 4,-0.5 -5,-0.2 -3,-0.2 0.486 100.3-116.3-121.7 -12.3 23.6 5.6 7.2 302 307 A G X - 0 0 16 -4,-2.6 4,-2.1 -5,-0.4 5,-0.2 -0.036 42.1 -71.1 83.7 164.4 19.9 6.0 7.1 303 308 A V H > S+ 0 0 54 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.947 126.3 52.0 -61.1 -53.0 17.8 7.8 9.7 304 309 A A H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.858 115.4 41.6 -57.3 -38.1 18.0 5.4 12.7 305 310 A N H > S+ 0 0 95 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.865 112.4 54.4 -76.9 -36.5 21.8 5.3 12.5 306 311 A A H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.932 109.8 48.2 -59.5 -47.5 22.1 9.0 11.9 307 312 A V H X S+ 0 0 28 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.910 110.1 51.1 -58.8 -45.5 20.0 9.7 15.0 308 313 A A H X S+ 0 0 56 -4,-1.8 4,-0.8 -5,-0.3 -1,-0.2 0.874 108.3 52.7 -62.5 -38.2 22.1 7.2 17.1 309 314 A I H >X S+ 0 0 24 -4,-2.3 3,-0.7 2,-0.2 4,-0.6 0.919 108.7 50.4 -59.0 -45.0 25.3 9.0 15.9 310 315 A A H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.3 -2,-0.2 0.909 109.9 49.0 -62.9 -41.4 23.8 12.3 17.0 311 316 A K H 3< S+ 0 0 119 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.704 96.7 78.2 -69.3 -15.6 22.9 11.0 20.4 312 317 A A H << S- 0 0 64 -4,-0.8 2,-0.3 -3,-0.7 -1,-0.2 0.805 112.1 -32.8 -69.5 -34.3 26.5 9.6 20.7 313 318 A G << - 0 0 22 -3,-0.8 4,-0.4 -4,-0.6 -1,-0.2 -0.955 55.3-104.8-173.7 166.5 28.2 12.8 21.6 314 319 A A S S+ 0 0 62 -2,-0.3 4,-0.3 1,-0.2 -285,-0.1 0.808 119.8 35.7 -69.7 -27.9 28.1 16.5 20.9 315 320 A F S > S+ 0 0 44 1,-0.1 4,-2.4 2,-0.1 5,-0.5 0.449 90.3 91.6-111.9 -5.2 31.0 16.4 18.5 316 321 A N H >>S+ 0 0 21 1,-0.2 5,-3.1 2,-0.2 4,-1.4 0.916 88.9 45.2 -60.1 -47.7 30.6 13.1 16.8 317 322 A L H 4>S+ 0 0 4 -4,-0.4 5,-2.6 3,-0.2 -1,-0.2 0.933 121.4 35.8 -65.8 -44.3 28.5 14.3 13.9 318 323 A G H 45S+ 0 0 4 -4,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.824 127.4 29.5 -82.9 -33.1 30.6 17.3 13.1 319 324 A F H <5S+ 0 0 1 -4,-2.4 -3,-0.2 3,-0.1 -2,-0.2 0.590 134.8 18.5-105.5 -12.4 34.2 16.2 13.8 320 325 A I T X5S+ 0 0 5 -4,-1.4 4,-1.8 -5,-0.5 -3,-0.2 0.690 123.7 40.6-121.6 -58.8 34.1 12.5 13.1 321 326 A T H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.879 112.8 54.5 -64.5 -33.2 34.6 14.2 7.5 324 329 A A H < S+ 0 0 2 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.906 111.0 45.2 -61.8 -45.2 34.4 10.3 7.4 325 330 A I H >< S+ 0 0 4 -4,-2.7 3,-2.0 1,-0.2 -1,-0.2 0.949 112.2 50.8 -62.3 -49.1 31.5 10.5 4.9 326 331 A F H >< S+ 0 0 1 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.848 99.5 66.5 -58.5 -33.3 33.3 13.2 2.8 327 332 A S T 3< S+ 0 0 31 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.659 91.2 63.5 -62.8 -14.7 36.4 11.0 2.7 328 333 A Q T < S+ 0 0 88 -3,-2.0 2,-0.3 -4,-0.3 -1,-0.3 0.295 97.7 71.7 -90.9 8.1 34.4 8.5 0.6 329 334 A T S X S- 0 0 24 -3,-1.9 3,-1.9 -4,-0.1 4,-0.2 -0.922 94.7 -93.4-125.4 149.4 34.0 11.0 -2.2 330 335 A A T 3 S+ 0 0 101 -2,-0.3 -2,-0.1 1,-0.3 -3,-0.0 -0.413 116.5 14.4 -57.0 130.2 36.4 12.5 -4.8 331 336 A G T 3> S+ 0 0 56 -2,-0.1 4,-2.2 -4,-0.1 -1,-0.3 0.608 89.6 139.4 81.1 12.8 37.9 15.8 -3.4 332 337 A G H <> + 0 0 5 -3,-1.9 4,-1.5 1,-0.3 -5,-0.2 0.732 62.0 54.7 -72.7 -26.7 36.6 14.7 -0.0 333 338 A T H > S+ 0 0 52 2,-0.2 4,-2.1 -4,-0.2 -1,-0.3 0.903 110.8 46.5 -70.2 -40.6 39.6 15.8 2.0 334 339 A F H > S+ 0 0 113 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.878 108.6 55.3 -68.9 -37.0 39.3 19.3 0.5 335 340 A L H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.884 106.6 51.9 -62.0 -35.7 35.5 19.3 1.2 336 341 A G H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.916 107.7 52.4 -64.4 -42.3 36.5 18.5 4.9 337 342 A F H X S+ 0 0 31 -4,-2.1 4,-2.9 -219,-0.2 5,-0.2 0.946 108.6 49.3 -54.5 -47.1 38.8 21.5 4.8 338 343 A L H X S+ 0 0 21 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.891 110.4 51.9 -65.0 -37.3 36.0 23.7 3.5 339 344 A W H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.945 112.9 43.1 -60.7 -51.5 33.7 22.4 6.3 340 345 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -225,-0.2 0.869 112.7 53.3 -69.1 -30.8 36.2 23.2 9.1 341 346 A F H X S+ 0 0 59 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.929 109.2 49.5 -66.3 -42.8 37.1 26.5 7.6 342 347 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.949 112.0 47.9 -55.4 -50.6 33.4 27.4 7.6 343 348 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.907 109.9 54.1 -61.6 -43.1 33.1 26.3 11.2 344 349 A F H X S+ 0 0 8 -4,-2.7 4,-3.1 -233,-0.2 5,-0.2 0.949 111.0 42.8 -57.5 -51.5 36.2 28.3 12.1 345 350 A F H X S+ 0 0 29 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.899 114.8 51.9 -61.8 -38.0 34.8 31.6 10.6 346 351 A A H X S+ 0 0 0 -4,-2.7 4,-0.9 -5,-0.2 -325,-0.2 0.949 114.6 42.2 -62.3 -45.3 31.4 30.9 12.2 347 352 A G H >X S+ 0 0 0 -4,-3.2 4,-3.1 -327,-0.2 3,-0.8 0.955 112.4 53.3 -67.7 -41.5 33.1 30.4 15.6 348 353 A L H 3X S+ 0 0 2 -4,-3.1 4,-2.0 1,-0.3 5,-0.2 0.908 105.9 51.7 -63.2 -43.8 35.5 33.3 15.3 349 354 A T H 3< S+ 0 0 3 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.3 0.764 117.1 42.5 -66.1 -21.2 32.7 35.8 14.5 350 355 A S H X S+ 0 0 4 -4,-1.3 4,-1.8 -3,-0.4 3,-0.5 0.703 95.3 74.6 -90.5 -22.7 34.8 38.4 24.7 356 361 A Q H 3X S+ 0 0 4 -4,-1.6 4,-3.4 1,-0.2 5,-0.2 0.812 85.5 62.0 -62.8 -29.6 33.6 41.9 24.0 357 362 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.923 106.4 44.2 -62.1 -42.8 31.5 42.2 27.2 358 363 A M H <> S+ 0 0 5 -3,-0.5 4,-2.4 -4,-0.3 5,-0.2 0.888 115.5 50.7 -64.9 -39.6 34.5 41.8 29.5 359 364 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.958 111.2 46.7 -61.5 -48.4 36.4 44.2 27.2 360 365 A A H X S+ 0 0 0 -4,-3.4 4,-3.4 1,-0.2 5,-0.4 0.878 111.5 52.3 -61.4 -39.2 33.5 46.8 27.4 361 366 A F H X>S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.2 5,-1.0 0.947 110.4 46.7 -62.6 -47.0 33.3 46.4 31.1 362 367 A L H X5S+ 0 0 8 -4,-2.4 6,-2.5 1,-0.2 4,-0.6 0.890 119.7 40.8 -65.1 -38.7 37.0 47.1 31.6 363 368 A E H <5S+ 0 0 39 -4,-2.4 4,-0.3 4,-0.3 -2,-0.2 0.927 122.1 38.5 -70.5 -51.9 36.9 50.1 29.3 364 369 A D H <5S+ 0 0 16 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.871 131.2 23.2 -68.0 -41.6 33.6 51.6 30.4 365 370 A E H <5S+ 0 0 18 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.780 132.7 31.4-106.3 -32.5 33.8 51.0 34.2 366 371 A L S < - 0 0 54 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.315 33.0-109.8 -64.4 158.3 42.5 51.4 27.4 370 375 A R H > S+ 0 0 97 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.924 119.5 54.6 -59.8 -41.7 41.1 49.2 24.6 371 376 A K H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.953 112.4 41.2 -57.3 -49.8 44.6 47.6 24.3 372 377 A H H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.885 114.0 52.5 -67.2 -39.9 44.8 46.7 28.0 373 378 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.919 113.0 45.0 -60.9 -44.2 41.1 45.6 28.2 374 379 A V H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.932 114.8 46.7 -65.7 -46.1 41.6 43.2 25.3 375 380 A L H X S+ 0 0 75 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.909 113.7 46.7 -69.1 -40.3 44.9 41.8 26.5 376 381 A W H X S+ 0 0 155 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.898 112.4 52.1 -67.9 -37.2 43.7 41.2 30.1 377 382 A T H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.943 111.0 46.6 -58.5 -48.5 40.5 39.6 28.7 378 383 A A H X S+ 0 0 13 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.890 110.2 54.6 -60.7 -39.7 42.5 37.3 26.5 379 384 A A H X S+ 0 0 43 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.912 109.6 46.0 -61.6 -45.2 44.8 36.5 29.5 380 385 A I H X S+ 0 0 28 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.911 116.1 44.8 -68.1 -39.9 41.9 35.4 31.6 381 386 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.944 114.5 49.0 -66.3 -45.3 40.3 33.3 28.9 382 387 A F H X S+ 0 0 57 -4,-3.2 4,-0.6 -5,-0.2 -2,-0.2 0.940 115.4 43.5 -60.2 -48.0 43.6 31.7 27.9 383 388 A F H >< S+ 0 0 135 -4,-2.5 3,-1.6 -5,-0.2 4,-0.3 0.964 115.1 48.0 -62.0 -51.7 44.5 30.8 31.5 384 389 A S H >X S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.3 4,-0.6 0.809 99.2 68.7 -61.4 -32.5 41.0 29.6 32.4 385 390 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 -1,-0.3 0.722 79.6 78.1 -65.3 -18.2 40.8 27.5 29.3 386 391 A H H S+ 0 0 36 -3,-1.8 4,-2.0 -4,-0.3 7,-0.2 0.923 109.2 42.6 -65.2 -44.9 40.7 23.7 32.8 388 393 A V H < S+ 0 0 3 -4,-0.6 7,-0.3 -3,-0.2 -2,-0.2 0.836 114.0 53.2 -71.5 -31.1 38.7 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 0.810 123.1 23.7 -72.0 -30.0 41.8 21.5 27.9 390 395 A F H < S+ 0 0 83 -4,-1.6 -233,-2.5 -5,-0.2 2,-0.7 0.603 105.8 74.1-115.7 -17.8 43.0 19.1 30.6 391 396 A L B >< S-A 156 0A 15 -4,-2.0 3,-2.1 -5,-0.2 4,-0.5 -0.890 80.5-125.0-107.2 113.0 40.0 18.1 32.8 392 397 A N T 3 S+ 0 0 41 -237,-2.3 -3,-0.1 -2,-0.7 -2,-0.0 -0.326 92.3 7.1 -55.4 132.4 37.6 15.6 31.1 393 398 A K T 3> S+ 0 0 116 -5,-0.1 4,-1.6 1,-0.1 -1,-0.3 0.495 89.6 116.9 72.9 5.0 34.1 17.0 31.1 394 399 A S H <> S+ 0 0 2 -3,-2.1 4,-2.5 -7,-0.2 5,-0.2 0.918 76.9 55.2 -66.2 -40.1 35.0 20.4 32.5 395 400 A L H > S+ 0 0 23 -4,-0.5 4,-2.4 -7,-0.3 5,-0.2 0.930 105.8 51.0 -53.4 -44.0 33.7 21.8 29.2 396 401 A D H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 109.3 50.7 -62.5 -39.8 30.3 20.0 29.7 397 402 A E H X S+ 0 0 11 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.917 112.1 45.8 -68.2 -43.7 30.0 21.5 33.2 398 403 A M H X>S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-1.2 0.908 111.5 52.1 -64.4 -41.2 30.7 25.1 32.0 399 404 A D H <5S+ 0 0 41 -4,-2.4 5,-0.3 -5,-0.2 -1,-0.2 0.848 111.7 49.7 -66.6 -31.8 28.3 24.7 29.1 400 405 A F H X>S+ 0 0 25 -4,-1.8 5,-2.4 -5,-0.2 4,-1.0 0.984 117.3 34.2 -68.8 -57.6 25.7 23.5 31.5 401 406 A W H <>S+ 0 0 69 -4,-2.5 5,-1.6 3,-0.2 -2,-0.2 0.927 135.9 20.3 -70.1 -43.5 25.9 26.2 34.2 402 407 A A T <>S+ 0 0 0 -4,-2.3 5,-0.9 -5,-0.3 -3,-0.2 0.924 130.3 38.8 -88.8 -49.0 26.6 29.2 31.9 403 408 A G T 4S+ 0 0 49 -4,-2.4 5,-2.3 1,-0.2 4,-1.9 0.943 113.7 47.6 -63.3 -49.4 11.8 41.3 34.5 417 422 A I H <>S+ 0 0 3 -4,-2.7 5,-3.0 3,-0.2 6,-0.2 0.927 121.3 34.8 -54.1 -49.6 14.2 44.2 35.1 418 423 A F H <>S+ 0 0 0 -4,-2.3 5,-0.7 -5,-0.2 9,-0.2 0.926 128.6 31.1 -76.8 -46.5 13.4 46.0 31.8 419 424 A F H <5S+ 0 0 1 -4,-3.0 5,-0.5 -5,-0.3 -3,-0.2 0.676 131.8 25.0 -93.4 -19.7 9.7 45.2 31.4 420 425 A W T <5S+ 0 0 128 -4,-1.9 4,-0.3 -5,-0.5 -3,-0.2 0.804 129.4 30.4-109.4 -51.9 8.5 45.0 34.9 421 426 A I T < - 0 0 17 -5,-0.7 4,-3.2 -6,-0.2 5,-0.2 0.074 18.0-125.4 135.7 122.3 8.4 49.9 33.4 424 429 A A H > S+ 0 0 7 -5,-0.5 4,-3.0 -4,-0.3 5,-0.2 0.900 112.5 44.2 -53.0 -46.8 6.6 48.1 30.6 425 430 A D H > S+ 0 0 114 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.921 115.0 48.8 -69.1 -38.5 5.5 51.3 28.9 426 431 A K H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 113.9 47.7 -62.3 -42.1 8.9 52.9 29.3 427 432 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 -9,-0.2 5,-0.2 0.954 112.1 48.6 -61.8 -51.7 10.5 49.7 27.9 428 433 A W H X S+ 0 0 52 -4,-3.0 4,-2.2 -5,-0.2 5,-0.2 0.934 112.5 48.8 -54.1 -49.3 8.0 49.6 25.0 429 434 A E H X S+ 0 0 118 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.918 112.1 49.3 -56.5 -44.4 8.7 53.2 24.2 430 435 A E H < S+ 0 0 25 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.853 109.5 50.1 -67.1 -37.5 12.4 52.7 24.4 431 436 A I H < S+ 0 0 0 -4,-2.5 -161,-0.4 1,-0.2 -1,-0.2 0.936 117.1 40.9 -63.8 -46.2 12.4 49.6 22.1 432 437 A N H >< S+ 0 0 23 -4,-2.2 3,-3.0 -5,-0.2 -2,-0.2 0.748 83.9 116.1 -79.4 -25.4 10.3 51.5 19.5 433 438 A R T 3< S+ 0 0 63 -4,-2.1 -163,-0.2 1,-0.3 -162,-0.1 -0.209 93.4 1.2 -47.1 122.3 12.1 54.8 19.7 434 439 A G T 3 S+ 0 0 41 1,-0.2 -1,-0.3 -165,-0.1 -165,-0.2 0.500 92.3 159.1 77.4 3.0 13.7 55.4 16.3 435 440 A G < - 0 0 26 -3,-3.0 -1,-0.2 -166,-0.2 3,-0.1 -0.322 43.1-148.7 -61.8 137.6 12.4 52.2 14.8 436 441 A I S S+ 0 0 108 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.837 96.7 16.9 -69.4 -35.3 12.3 52.0 11.0 437 442 A I S S- 0 0 70 -3,-0.0 2,-0.3 -5,-0.0 -165,-0.2 -0.847 90.5-118.5-122.5 169.1 9.3 49.8 11.7 438 443 A K - 0 0 172 -2,-0.3 3,-0.1 -167,-0.1 -6,-0.0 -0.804 31.2-104.1-104.4 150.5 7.4 49.4 14.9 439 444 A V - 0 0 5 -2,-0.3 5,-0.1 -11,-0.1 -7,-0.0 -0.555 50.5 -97.3 -68.1 133.5 7.1 46.2 16.9 440 445 A P > - 0 0 68 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.230 31.5-121.6 -50.3 137.1 3.6 44.7 16.3 441 446 A R T >> S+ 0 0 186 1,-0.3 3,-1.7 2,-0.2 4,-0.6 0.806 108.5 66.3 -53.9 -35.6 1.3 45.7 19.1 442 447 A I H >> S+ 0 0 111 1,-0.3 4,-1.5 2,-0.2 3,-0.7 0.825 90.9 67.1 -58.7 -29.0 0.6 42.1 20.1 443 448 A Y H <> S+ 0 0 33 -3,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.646 85.4 68.4 -70.1 -16.4 4.3 41.8 21.1 444 449 A Y H <> S+ 0 0 21 -3,-1.7 4,-2.1 -4,-0.4 -1,-0.2 0.931 106.4 40.2 -63.2 -43.6 3.8 44.2 24.0 445 450 A Y H S+ 0 0 96 -3,-0.7 4,-2.0 -4,-0.6 5,-1.4 0.802 113.3 55.3 -77.1 -30.4 1.6 41.5 25.7 446 451 A V H <>S+ 0 0 14 -4,-1.5 5,-3.0 3,-0.2 4,-0.4 0.984 113.4 41.3 -62.0 -54.4 3.9 38.7 24.6 447 452 A M H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.870 119.5 43.7 -60.3 -42.0 6.9 40.5 26.3 448 453 A R H <5S+ 0 0 82 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.849 136.4 1.2 -76.2 -32.2 5.1 41.6 29.4 449 454 A Y T X5S+ 0 0 118 -4,-2.0 4,-1.4 -5,-0.1 -3,-0.2 0.760 126.1 47.2-123.5 -46.7 3.2 38.3 30.1 450 455 A I H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.895 116.8 48.7 -64.1 -35.2 8.3 35.6 31.3 453 458 A A H X S+ 0 0 52 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.916 111.7 48.5 -67.0 -46.4 5.5 33.0 32.0 454 459 A F H X S+ 0 0 50 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.924 116.1 44.1 -55.9 -49.4 6.8 30.6 29.3 455 460 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.902 111.7 52.6 -65.5 -42.4 10.4 31.0 30.7 456 461 A A H X S+ 0 0 41 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.924 111.1 46.1 -62.9 -45.3 9.4 30.7 34.3 457 462 A V H X S+ 0 0 90 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.947 111.5 53.3 -60.6 -47.6 7.5 27.5 33.7 458 463 A L H X S+ 0 0 14 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.911 109.0 47.9 -53.9 -49.6 10.3 26.1 31.7 459 464 A L H X S+ 0 0 33 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.836 111.8 50.4 -62.1 -37.1 12.9 26.7 34.5 460 465 A V H X S+ 0 0 62 -4,-1.8 4,-1.8 2,-0.2 5,-0.2 0.956 111.7 45.5 -65.7 -51.6 10.7 25.2 37.1 461 466 A V H X S+ 0 0 50 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.804 115.2 51.5 -63.5 -29.6 10.0 22.0 35.1 462 467 A W H X>S+ 0 0 18 -4,-1.8 5,-1.4 -5,-0.3 4,-0.9 0.963 110.9 44.6 -66.0 -57.5 13.8 22.0 34.4 463 468 A A H <5S+ 0 0 48 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.706 118.3 46.1 -65.4 -21.1 14.8 22.3 38.0 464 469 A R H <5S+ 0 0 177 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.837 123.3 25.3 -90.5 -36.3 12.3 19.7 39.2 465 470 A E H <5S+ 0 0 115 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 0.133 131.2 23.3-121.2 20.2 12.7 16.9 36.7 466 471 A Y T <5S+ 0 0 75 -4,-0.9 3,-0.5 0, 0.0 4,-0.2 0.483 108.4 55.3-148.8 -52.1 16.3 17.2 35.4 467 472 A I S >> S+ 0 0 60 0, 0.0 4,-0.8 0, 0.0 3,-0.3 0.916 99.5 54.2 -58.6 -37.3 18.4 16.9 40.6 469 474 A K H 3> S+ 0 0 131 -3,-0.5 4,-0.6 1,-0.2 -2,-0.2 0.551 109.3 49.9 -70.0 -8.1 19.8 14.0 38.7 470 475 A I H <4 S+ 0 0 51 -3,-1.7 -1,-0.2 -4,-0.2 4,-0.1 0.672 104.8 52.8-105.9 -25.5 22.9 16.1 37.9 471 476 A M H < S+ 0 0 93 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.1 0.608 124.3 29.5 -79.7 -12.8 23.7 17.3 41.4 472 477 A E H < S+ 0 0 161 -4,-0.8 -2,-0.2 -5,-0.2 -3,-0.1 0.657 116.5 53.3-118.7 -26.1 23.7 13.7 42.6 473 478 A E S < S+ 0 0 150 -4,-0.6 2,-0.3 -5,-0.2 -2,-0.1 0.003 85.5 98.7-108.0 28.4 24.8 11.5 39.6 474 479 A T S S- 0 0 57 -4,-0.1 2,-0.1 1,-0.1 -4,-0.0 -0.803 78.2 -95.4-114.5 158.6 28.0 13.2 38.5 475 480 A H > - 0 0 100 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.368 39.4-112.7 -64.8 146.3 31.7 12.4 39.1 476 481 A W T > S+ 0 0 175 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.755 109.3 75.3 -55.1 -28.3 33.4 14.3 42.0 477 482 A T T >> S+ 0 0 10 1,-0.3 3,-1.5 2,-0.2 4,-1.0 0.646 74.1 79.4 -63.5 -14.3 35.6 16.2 39.5 478 483 A V H <> S+ 0 0 15 -3,-2.2 4,-2.4 1,-0.3 -1,-0.3 0.843 84.6 64.1 -60.4 -30.0 32.6 18.4 38.5 479 484 A W H <> S+ 0 0 139 -3,-1.9 4,-2.5 -4,-0.3 -1,-0.3 0.730 91.8 62.6 -66.2 -21.7 33.3 20.3 41.7 480 485 A I H <> S+ 0 0 62 -3,-1.5 4,-2.1 -4,-0.2 -1,-0.2 0.959 110.3 38.7 -64.1 -48.3 36.7 21.4 40.4 481 486 A T H X S+ 0 0 1 -4,-1.0 4,-2.8 2,-0.2 5,-0.3 0.917 115.7 52.1 -68.3 -45.3 35.0 23.3 37.5 482 487 A R H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.941 110.5 49.2 -54.3 -48.7 32.1 24.5 39.8 483 488 A F H X S+ 0 0 161 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.933 112.9 47.1 -55.9 -49.9 34.7 25.8 42.3 484 489 A Y H X S+ 0 0 59 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.923 113.9 45.0 -64.2 -46.5 36.7 27.7 39.6 485 490 A I H X S+ 0 0 4 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.850 110.7 54.1 -72.1 -27.6 33.7 29.3 37.9 486 491 A I H X S+ 0 0 97 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.938 108.1 51.4 -63.0 -42.8 32.2 30.3 41.3 487 492 A G H X S+ 0 0 34 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.893 105.8 55.1 -58.9 -41.4 35.6 31.9 41.9 488 493 A L H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.900 107.2 50.1 -60.0 -39.0 35.3 33.7 38.5 489 494 A F H X S+ 0 0 37 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.946 110.8 47.9 -63.6 -44.2 31.9 35.1 39.7 490 495 A L H X S+ 0 0 112 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.898 111.4 52.7 -62.6 -39.8 33.4 36.3 43.0 491 496 A F H X S+ 0 0 80 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.937 111.0 44.6 -58.3 -50.2 36.3 37.9 40.9 492 497 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.858 110.8 55.1 -65.4 -35.1 33.9 39.8 38.6 493 498 A T H X S+ 0 0 42 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.932 106.6 51.5 -63.3 -43.0 31.8 40.8 41.6 494 499 A F H X S+ 0 0 113 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.906 108.6 51.3 -57.6 -41.9 35.0 42.3 43.1 495 500 A L H X S+ 0 0 19 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.884 108.3 50.5 -65.4 -37.4 35.7 44.2 39.9 496 501 A V H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 110.3 51.4 -65.4 -40.1 32.2 45.7 39.9 497 502 A F H X S+ 0 0 82 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.935 110.8 47.8 -58.6 -44.9 32.8 46.7 43.6 498 503 A L H X S+ 0 0 68 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.908 108.3 54.9 -64.3 -42.3 36.1 48.4 42.5 499 504 A A H X S+ 0 0 9 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.877 108.7 48.7 -56.7 -42.6 34.3 50.1 39.6 500 505 A E H X S+ 0 0 20 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.880 110.5 49.9 -68.3 -36.1 31.8 51.6 42.0 501 506 A R H X S+ 0 0 97 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.887 111.1 49.7 -68.3 -34.7 34.6 52.8 44.3 502 507 A R H X S+ 0 0 61 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.913 111.2 49.0 -68.4 -41.0 36.4 54.4 41.4 503 508 A R H X S+ 0 0 103 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.904 111.6 50.2 -63.2 -42.5 33.1 56.1 40.3 504 509 A N H X S+ 0 0 83 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.923 110.9 47.3 -62.7 -46.3 32.6 57.4 43.8 505 510 A H H < S+ 0 0 157 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.799 114.0 49.2 -65.6 -29.5 36.1 58.8 44.2 506 511 A E H >X S+ 0 0 91 -4,-1.7 3,-0.8 2,-0.2 4,-0.5 0.873 107.3 52.9 -77.8 -39.7 35.8 60.5 40.8 507 512 A S H >< S+ 0 0 65 -4,-2.5 3,-0.7 1,-0.3 -2,-0.2 0.841 106.1 54.9 -64.6 -34.4 32.4 62.0 41.6 508 513 A A T 3< S+ 0 0 92 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.665 107.2 51.5 -71.5 -18.4 33.9 63.5 44.7 509 514 A G T <4 0 0 68 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.522 360.0 360.0 -95.3 -7.8 36.6 65.1 42.6 510 515 A T << 0 0 151 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.2 0.755 360.0 360.0-111.7 360.0 34.1 66.7 40.2 511 ! 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 L 0 0 0 0, 0.0 -490,-3.2 0, 0.0 -491,-0.3 0.000 360.0 360.0 360.0 360.0 26.4 31.7 18.9