==== 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 TRANSPORT PROTEIN 15-JUN-07 2QB4 . COMPND 2 MOLECULE: TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR S.K.SINGH,A.YAMASHITA,E.GOUAUX . 511 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 81.0 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 . 54 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 314 61.4 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 3 2 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 93 0, 0.0 2,-0.1 0, 0.0 262,-0.0 0.000 360.0 360.0 360.0 148.1 31.3 56.0 22.4 2 6 A E - 0 0 58 262,-0.0 2,-0.3 1,-0.0 179,-0.0 -0.405 360.0-161.2 -68.5 157.3 32.3 54.0 19.4 3 7 A H - 0 0 52 -2,-0.1 261,-0.2 262,-0.0 180,-0.2 -0.979 27.6 -94.6-141.0 151.4 29.4 53.5 17.0 4 8 A W - 0 0 6 259,-1.5 261,-0.2 -2,-0.3 179,-0.1 -0.466 33.8-143.8 -64.1 136.2 28.7 51.1 14.1 5 9 A A S S+ 0 0 75 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.932 73.1 17.7 -70.3 -48.9 29.7 52.8 10.9 6 10 A T > - 0 0 56 1,-0.1 4,-2.0 177,-0.1 5,-0.1 -0.831 68.4-122.8-125.5 163.3 27.0 51.5 8.6 7 11 A R H > S+ 0 0 123 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.868 116.3 50.3 -69.7 -36.6 23.6 49.8 8.8 8 12 A L H > S+ 0 0 102 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.920 109.7 50.0 -66.5 -44.8 24.8 46.9 6.8 9 13 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.898 111.5 49.5 -59.5 -41.7 27.9 46.6 9.0 10 14 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.932 112.4 47.1 -62.8 -47.8 25.6 46.6 12.1 11 15 A I H X S+ 0 0 20 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.892 114.3 45.4 -62.6 -44.3 23.3 43.9 10.6 12 16 A L H X S+ 0 0 29 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.844 112.4 51.6 -70.7 -33.4 26.1 41.6 9.5 13 17 A A H X S+ 0 0 3 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.939 114.3 43.1 -67.4 -45.5 28.0 42.0 12.9 14 18 A M H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.875 113.8 52.0 -65.3 -39.2 24.8 41.1 14.8 15 19 A A H X S+ 0 0 2 -4,-2.3 4,-3.3 1,-0.2 -1,-0.2 0.850 110.7 47.9 -65.6 -34.5 24.1 38.3 12.3 16 20 A G H < S+ 0 0 1 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.764 106.0 58.3 -75.7 -27.1 27.6 37.0 12.9 17 21 A N H < S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.956 118.3 32.4 -63.8 -49.9 27.0 37.3 16.7 18 22 A A H < S+ 0 0 1 -4,-2.1 2,-0.8 495,-0.1 4,-0.2 0.942 105.5 73.8 -73.4 -53.6 24.1 35.0 16.3 19 23 A V S < S+ 0 0 5 -4,-3.3 2,-0.2 -5,-0.2 330,-0.1 -0.526 73.3 99.6 -71.9 106.7 25.1 32.7 13.4 20 24 A G S >> S- 0 0 0 -2,-0.8 3,-1.3 229,-0.1 4,-1.3 -0.624 86.3 -30.5-153.9-147.8 27.8 30.3 14.7 21 25 A L H 3>>S+ 0 0 8 492,-0.4 4,-2.6 1,-0.3 5,-1.8 0.748 123.5 67.2 -57.2 -26.2 28.5 26.8 16.0 22 26 A G H 34>S+ 0 0 0 491,-2.7 5,-3.0 -4,-0.2 -1,-0.3 0.868 101.7 46.8 -64.0 -34.7 24.9 26.7 17.4 23 27 A N H <45S+ 0 0 0 -3,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.907 124.0 28.5 -73.3 -44.6 23.5 26.7 13.9 24 28 A F H <5S+ 0 0 2 -4,-1.3 269,-0.2 3,-0.1 -2,-0.2 0.732 135.9 19.3 -93.4 -24.6 25.7 24.1 12.3 25 29 A L T X5S+ 0 0 18 -4,-2.6 4,-1.1 -5,-0.2 -3,-0.2 0.804 125.7 40.2-111.0 -53.7 26.6 21.8 15.3 26 30 A R H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.903 112.4 47.0 -56.4 -41.6 21.3 19.3 14.2 29 33 A V H X S+ 0 0 7 -4,-1.1 4,-2.3 -3,-0.3 -2,-0.2 0.941 112.9 48.1 -66.0 -46.5 22.0 17.4 17.4 30 34 A Q H X S+ 0 0 40 -4,-2.4 4,-1.2 2,-0.2 6,-0.2 0.925 117.0 42.9 -59.8 -45.9 19.0 18.9 19.3 31 35 A A H <>S+ 0 0 0 -4,-2.8 5,-3.3 -5,-0.2 3,-0.4 0.936 116.5 45.1 -66.8 -48.4 16.6 18.2 16.4 32 36 A A H ><5S+ 0 0 2 -4,-2.7 3,-0.8 -5,-0.3 -1,-0.2 0.851 114.1 52.2 -63.4 -33.2 17.9 14.7 15.6 33 37 A E H 3<5S+ 0 0 67 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.732 111.6 46.0 -74.6 -25.9 17.8 14.0 19.3 34 38 A N T 3<5S- 0 0 27 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 -0.074 128.5 -81.2-112.8 33.2 14.2 15.1 19.8 35 39 A G T X 5 - 0 0 35 -3,-0.8 3,-1.3 3,-0.2 2,-0.6 0.604 53.7-115.2 84.6 13.1 12.5 13.5 16.9 36 40 A G T >> S+ 0 0 1 187,-2.0 4,-0.9 -2,-0.6 192,-0.4 0.770 116.5 63.1 -56.1 -29.0 10.0 17.3 13.0 38 42 A A H <4 S+ 0 0 2 -3,-1.3 -1,-0.3 190,-0.2 -3,-0.2 0.797 103.8 49.0 -66.3 -28.6 8.6 16.8 16.5 39 43 A F H <> S+ 0 0 0 -3,-1.6 4,-1.9 -8,-0.2 -1,-0.2 0.819 100.5 67.1 -78.5 -33.5 11.3 19.3 17.7 40 44 A M H X S+ 0 0 7 -4,-1.3 4,-2.6 185,-0.2 5,-0.2 0.784 92.3 56.7 -61.5 -34.1 10.5 21.9 15.1 41 45 A I H X S+ 0 0 39 -4,-0.9 4,-2.4 2,-0.2 5,-0.2 0.976 112.3 40.0 -65.5 -53.8 7.0 22.8 16.3 42 46 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.890 115.0 56.7 -60.8 -34.8 8.0 23.8 19.8 43 47 A Y H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.932 108.6 43.9 -59.3 -51.3 11.1 25.4 18.2 44 48 A I H X S+ 0 0 76 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.892 115.0 49.6 -63.4 -40.6 9.0 27.7 15.9 45 49 A I H X S+ 0 0 58 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.905 109.9 50.9 -65.8 -40.6 6.7 28.6 18.8 46 50 A A H X>S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-2.0 0.897 107.7 53.6 -63.5 -40.2 9.7 29.4 21.0 47 51 A F H <>S+ 0 0 27 -4,-2.2 5,-2.9 3,-0.2 -1,-0.2 0.911 114.4 41.3 -60.1 -42.7 11.1 31.6 18.3 48 52 A L H <5S+ 0 0 81 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.859 124.8 34.3 -75.2 -37.0 7.8 33.6 18.1 49 53 A L H <5S+ 0 0 50 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.647 138.9 9.5 -94.7 -16.6 7.1 33.8 21.8 50 54 A V T X5S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 5,-0.3 0.669 121.5 52.5-126.3 -55.0 10.6 34.0 23.2 51 55 A G H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.925 114.5 46.6 -58.4 -45.4 10.5 39.5 21.8 54 58 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.861 107.4 58.1 -65.1 -34.0 13.7 39.0 23.8 55 59 A M H X S+ 0 0 2 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.962 109.1 44.6 -60.0 -50.2 15.8 40.1 20.8 56 60 A W H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.913 112.6 52.9 -59.9 -42.4 14.0 43.4 20.6 57 61 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.909 110.6 45.9 -60.8 -43.5 14.2 43.8 24.4 58 62 A E H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.896 111.7 51.0 -68.7 -38.9 18.0 43.2 24.4 59 63 A W H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.922 112.5 48.2 -61.4 -42.1 18.6 45.6 21.5 60 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.938 111.5 48.1 -63.6 -48.6 16.5 48.2 23.4 61 65 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.909 113.6 48.9 -59.7 -42.8 18.4 47.8 26.6 62 66 A G H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.952 113.1 44.4 -63.0 -51.4 21.7 48.0 24.9 63 67 A R H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.909 113.8 52.4 -60.5 -40.7 20.9 51.1 22.9 64 68 A Y H < S+ 0 0 33 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.915 114.3 41.7 -61.0 -46.0 19.4 52.7 26.0 65 69 A G H ><>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 3,-1.6 0.914 110.1 56.9 -69.0 -42.9 22.5 51.9 28.1 66 70 A G H ><5S+ 0 0 7 -4,-3.2 3,-2.0 1,-0.3 -1,-0.2 0.843 96.8 63.8 -56.9 -35.3 24.9 52.9 25.3 67 71 A A T 3<5S+ 0 0 49 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.752 108.5 42.0 -61.8 -24.1 23.3 56.4 25.1 68 72 A Q T < 5S- 0 0 90 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.217 128.6 -96.4-106.6 13.5 24.6 56.9 28.7 69 73 A G T < 5S+ 0 0 31 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.724 87.5 117.8 81.8 22.3 28.0 55.4 28.1 70 74 A H < + 0 0 45 -5,-2.5 -2,-0.2 -8,-0.1 -1,-0.2 -0.976 29.0 168.9-128.3 126.2 27.2 51.9 29.4 71 75 A G + 0 0 0 -2,-0.4 2,-0.3 289,-0.2 191,-0.2 0.516 58.7 67.2-111.0 -5.4 27.3 48.6 27.4 72 76 A T S >> S- 0 0 2 288,-0.2 4,-2.3 -7,-0.1 3,-0.7 -0.830 80.8-113.5-119.8 158.1 27.0 45.9 30.0 73 77 A T H 3> S+ 0 0 1 -2,-0.3 4,-2.6 1,-0.2 5,-0.4 0.726 103.2 69.1 -60.0 -30.8 24.2 44.7 32.4 74 78 A P H 3> S+ 0 0 4 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.951 117.3 27.8 -55.5 -43.1 25.8 45.6 35.8 75 79 A A H <> S+ 0 0 16 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.905 122.2 51.6 -80.6 -46.1 25.4 49.3 34.9 76 80 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.905 107.6 51.9 -60.7 -43.3 22.4 49.0 32.6 77 81 A F H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.862 110.9 50.2 -60.5 -35.0 20.3 47.0 35.1 78 82 A Y H < S+ 0 0 55 -4,-0.6 -1,-0.2 -5,-0.4 -2,-0.2 0.828 106.6 53.8 -71.8 -34.4 21.0 49.7 37.6 79 83 A L H < S+ 0 0 17 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.882 115.1 41.1 -66.1 -38.3 19.9 52.4 35.2 80 84 A L H < S+ 0 0 10 -4,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.739 134.1 20.2 -80.8 -25.1 16.7 50.6 34.7 81 85 A W S < S- 0 0 67 -4,-1.6 2,-2.7 -5,-0.2 -1,-0.3 -0.777 72.2-150.8-149.5 96.1 16.4 49.8 38.4 82 86 A R + 0 0 155 -3,-0.3 2,-0.4 -2,-0.3 -4,-0.1 -0.377 58.2 116.3 -71.9 71.4 18.4 51.9 40.9 83 87 A N S >> S- 0 0 67 -2,-2.7 3,-2.9 -6,-0.1 4,-0.8 -0.996 72.0-127.5-140.0 130.9 18.8 49.2 43.5 84 88 A R H >> S+ 0 0 171 -2,-0.4 4,-1.3 1,-0.3 3,-0.9 0.818 110.3 63.8 -48.5 -34.5 22.1 47.7 44.5 85 89 A F H 3> S+ 0 0 107 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.749 92.5 64.3 -64.2 -22.5 20.6 44.2 43.8 86 90 A A H <> S+ 0 0 0 -3,-2.9 4,-1.6 -5,-0.2 -1,-0.3 0.872 100.6 50.9 -66.9 -36.8 20.3 45.3 40.1 87 91 A K H < S+ 0 0 65 -4,-1.3 3,-1.0 2,-0.2 4,-0.4 0.913 111.7 47.5 -68.7 -43.7 24.5 42.0 41.4 89 93 A L H >< S+ 0 0 26 -4,-2.3 3,-1.3 1,-0.3 4,-0.2 0.850 106.2 62.6 -63.9 -31.8 22.0 40.4 39.0 90 94 A G H >< S+ 0 0 0 -4,-1.6 3,-2.1 1,-0.3 -1,-0.3 0.743 83.1 76.8 -64.9 -25.0 23.8 42.3 36.3 91 95 A V T XX S+ 0 0 0 -3,-1.0 4,-2.8 -4,-0.7 3,-2.2 0.820 82.6 67.2 -56.5 -30.6 27.0 40.4 37.0 92 96 A F H <> S+ 0 0 47 -3,-1.3 4,-2.2 -4,-0.4 -1,-0.3 0.769 89.1 66.1 -61.2 -23.3 25.5 37.5 35.1 93 97 A G H <4 S+ 0 0 1 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.520 112.7 31.6 -75.7 -6.0 25.7 39.6 32.0 94 98 A L H <> S+ 0 0 1 -3,-2.2 4,-1.6 -4,-0.2 -2,-0.2 0.637 119.9 52.1-113.5 -39.3 29.5 39.4 32.3 95 99 A W H X S+ 0 0 21 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.935 106.7 50.7 -66.4 -50.0 29.7 35.9 33.9 96 100 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.954 113.8 42.8 -57.8 -53.2 27.6 34.0 31.3 97 101 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.869 115.4 50.8 -63.8 -32.4 29.4 35.3 28.3 98 102 A L H X S+ 0 0 3 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.941 112.7 44.7 -68.4 -46.8 32.8 34.9 29.9 99 103 A V H X S+ 0 0 0 -4,-3.0 4,-0.7 1,-0.2 5,-0.2 0.883 114.4 49.5 -66.1 -37.3 32.2 31.3 31.0 100 104 A V H >X S+ 0 0 0 -4,-2.5 4,-3.3 -5,-0.3 3,-1.0 0.912 109.4 52.1 -67.8 -38.7 30.7 30.4 27.6 101 105 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.2 253,-0.3 5,-0.4 0.870 98.1 67.8 -62.8 -37.4 33.7 32.0 25.8 102 106 A I H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.778 119.0 18.9 -55.9 -29.9 36.0 29.8 28.0 103 107 A Y H S+ 0 0 3 -5,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.939 109.3 46.5 -66.3 -44.4 38.2 26.1 22.5 107 111 A I H X S+ 0 0 13 -4,-2.2 4,-1.2 1,-0.2 3,-0.4 0.913 111.4 53.8 -63.1 -38.0 35.6 24.2 20.4 108 112 A E H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.3 0.889 103.6 55.9 -60.2 -39.8 36.2 26.9 17.7 109 113 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.832 99.3 60.4 -65.3 -29.3 39.9 26.2 17.8 110 114 A W H X S+ 0 0 9 -4,-1.4 4,-3.0 -3,-0.4 -1,-0.2 0.901 102.7 52.2 -63.3 -39.5 39.2 22.5 17.0 111 115 A T H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.3 -1,-0.2 0.853 109.8 47.9 -65.6 -34.8 37.6 23.6 13.7 112 116 A L H X S+ 0 0 20 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.923 113.1 48.9 -70.6 -41.7 40.6 25.7 12.8 113 117 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.927 114.6 44.2 -61.8 -46.8 42.9 22.7 13.7 114 118 A F H X S+ 0 0 1 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.903 111.1 54.4 -64.6 -42.7 40.7 20.3 11.6 115 119 A A H X S+ 0 0 3 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.957 110.9 46.7 -55.6 -50.3 40.5 22.8 8.7 116 120 A I H X S+ 0 0 65 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.954 115.0 44.9 -56.5 -54.1 44.3 23.0 8.7 117 121 A K H <>S+ 0 0 54 -4,-2.6 5,-2.3 1,-0.2 4,-0.3 0.859 114.9 47.9 -62.0 -36.3 44.8 19.2 8.8 118 122 A F H ><5S+ 0 0 6 -4,-3.2 3,-0.8 3,-0.2 -1,-0.2 0.888 108.9 54.7 -71.9 -36.5 42.1 18.6 6.2 119 123 A L H 3<5S+ 0 0 94 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.913 114.1 39.9 -61.1 -44.2 43.5 21.2 3.9 120 124 A V T 3<5S- 0 0 87 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.401 115.0-115.2 -88.3 2.6 47.0 19.6 3.9 121 125 A G T < 5 + 0 0 42 -3,-0.8 2,-1.7 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6,-0.3 0.919 111.4 45.2 -58.0 -44.9 16.4 29.4 20.7 247 252 A F H X>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-0.7 0.968 116.6 44.8 -62.5 -53.4 18.4 31.2 23.4 248 253 A F H ><5S+ 0 0 6 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.946 115.0 46.6 -57.9 -52.1 21.7 29.8 22.4 249 254 A T H 3<5S+ 0 0 0 -4,-3.4 -1,-0.2 264,-0.3 -2,-0.2 0.824 115.6 44.6 -64.5 -31.9 21.3 30.3 18.7 250 255 A L H 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.433 108.4-121.9 -91.4 2.3 20.1 33.9 19.0 251 256 A S T X<5 + 0 0 0 -3,-1.2 6,-0.7 -4,-0.7 3,-0.7 0.806 57.7 158.4 62.0 31.0 22.7 34.8 21.5 252 257 A L T 3 < + 0 0 0 -5,-2.2 -1,-0.2 -6,-0.3 159,-0.2 -0.689 56.4 20.8 -90.1 139.9 20.0 35.8 24.0 253 258 A G T 3 S+ 0 0 0 -2,-0.3 -1,-0.2 157,-0.1 157,-0.2 0.565 98.5 97.1 82.8 9.3 20.6 35.9 27.7 254 259 A F S < S- 0 0 0 -3,-0.7 -2,-0.1 -7,-0.1 -154,-0.1 0.368 91.5-123.9-106.6 -2.5 24.4 36.1 27.1 255 260 A G S > S+ 0 0 2 -4,-0.1 4,-1.5 152,-0.1 -3,-0.1 0.538 86.6 108.5 70.0 4.0 24.6 39.9 27.4 256 261 A A H > S+ 0 0 0 -5,-0.4 4,-2.1 2,-0.2 5,-0.2 0.868 73.5 46.4 -80.7 -43.0 26.2 39.9 24.0 257 262 A I H > S+ 0 0 1 -6,-0.7 4,-2.4 2,-0.2 5,-0.2 0.913 112.9 53.3 -65.7 -41.9 23.3 41.3 22.0 258 263 A I H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.932 109.7 46.6 -58.8 -48.9 22.9 44.0 24.6 259 264 A T H >< S+ 0 0 2 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.914 112.4 49.0 -63.3 -42.7 26.6 45.0 24.4 260 265 A Y H >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.916 110.2 52.5 -61.1 -41.9 26.6 45.1 20.6 261 266 A A H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.708 92.1 74.4 -66.9 -20.4 23.5 47.3 20.6 262 267 A S T << S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.551 93.4 55.6 -70.4 -6.3 25.1 49.7 23.0 263 268 A Y T < S+ 0 0 5 -3,-1.6 -259,-1.5 -4,-0.2 2,-0.4 0.352 82.6 104.7-105.3 1.8 27.1 50.9 20.0 264 269 A V S < S- 0 0 3 -3,-1.8 -198,-0.0 -261,-0.2 -197,-0.0 -0.685 86.0-101.8 -81.9 133.5 24.0 51.7 18.0 265 270 A R > - 0 0 124 -2,-0.4 3,-0.7 -261,-0.2 -1,-0.1 -0.233 29.7-114.8 -56.9 144.7 23.4 55.4 17.8 266 271 A K T 3 S+ 0 0 86 1,-0.2 -1,-0.1 -200,-0.1 -199,-0.1 0.757 114.9 45.8 -51.2 -31.7 20.6 56.6 20.2 267 272 A D T 3 S+ 0 0 113 2,-0.1 -1,-0.2 167,-0.0 -2,-0.1 0.766 90.5 111.6 -84.7 -28.8 18.4 57.6 17.3 268 273 A Q S < S- 0 0 24 -3,-0.7 167,-0.1 1,-0.1 2,-0.1 -0.046 73.2-105.8 -53.0 144.3 18.8 54.5 15.2 269 274 A D + 0 0 2 165,-0.2 166,-0.2 1,-0.1 -1,-0.1 -0.387 35.8 170.0 -68.4 144.5 16.2 51.9 14.6 270 275 A I > + 0 0 0 161,-0.4 4,-2.1 163,-0.2 5,-0.2 0.407 66.8 73.6-130.4 -13.4 16.4 48.6 16.4 271 276 A V H > S+ 0 0 0 160,-0.2 4,-1.8 2,-0.2 5,-0.1 0.975 108.2 28.9 -68.2 -55.6 13.0 47.1 15.5 272 277 A L H > S+ 0 0 57 2,-0.2 4,-2.3 165,-0.2 5,-0.2 0.891 122.9 52.5 -72.6 -39.7 13.7 46.3 11.9 273 278 A S H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.936 111.4 45.9 -60.4 -48.6 17.4 45.7 12.6 274 279 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.908 113.7 48.5 -62.6 -43.9 16.8 43.3 15.4 275 280 A L H X S+ 0 0 47 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.870 111.3 50.9 -64.6 -36.4 14.1 41.4 13.5 276 281 A T H X S+ 0 0 46 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.921 109.9 48.5 -68.1 -44.5 16.4 41.1 10.4 277 282 A A H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.923 114.2 48.1 -61.1 -43.5 19.4 39.8 12.5 278 283 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.911 113.3 45.6 -64.3 -44.5 17.0 37.3 14.1 279 284 A T H X S+ 0 0 43 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.886 110.2 54.8 -68.8 -36.5 15.5 36.1 10.8 280 285 A L H X S+ 0 0 62 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.925 108.8 48.9 -60.9 -44.1 18.9 35.9 9.2 281 286 A N H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.919 109.9 51.3 -61.6 -43.6 20.0 33.6 12.0 282 287 A E H X>S+ 0 0 18 -4,-2.0 4,-2.6 2,-0.2 5,-0.5 0.853 109.3 49.4 -64.3 -35.1 16.9 31.4 11.6 283 288 A K H X>S+ 0 0 120 -4,-2.0 4,-1.8 1,-0.2 5,-1.4 0.930 112.4 48.1 -68.4 -43.4 17.4 31.0 7.9 284 289 A A H <>S+ 0 0 10 -4,-2.1 5,-2.8 3,-0.2 -2,-0.2 0.848 117.6 44.3 -64.2 -34.1 21.1 30.0 8.5 285 290 A E H <>S+ 0 0 0 -4,-2.3 5,-1.6 3,-0.2 -2,-0.2 0.980 123.7 27.2 -75.7 -60.0 20.0 27.6 11.2 286 291 A V H <5S+ 0 0 20 -4,-2.6 -3,-0.2 3,-0.2 -2,-0.2 0.838 132.0 34.2 -76.7 -33.6 17.0 25.8 9.7 287 292 A I T <> S+ 0 0 3 -5,-0.4 4,-2.9 -4,-0.2 5,-0.3 0.978 113.4 43.8 -64.9 -55.9 21.3 15.5 9.1 295 300 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.908 115.7 50.7 -55.5 -41.0 20.6 14.9 5.4 296 301 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.941 113.2 43.5 -62.1 -48.7 24.2 13.6 4.9 297 302 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.4 0.907 116.4 47.2 -64.2 -43.0 24.0 11.2 7.9 298 303 A V H X S+ 0 0 1 -4,-2.9 4,-3.0 3,-0.2 -2,-0.2 0.923 108.7 55.1 -65.7 -43.4 20.6 10.0 7.0 299 304 A A H < S+ 0 0 0 -4,-2.8 -84,-0.3 -5,-0.3 -86,-0.3 0.914 118.0 34.6 -56.6 -44.1 21.5 9.5 3.3 300 305 A F H < S+ 0 0 37 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.805 137.7 15.8 -83.2 -30.1 24.4 7.3 4.3 301 306 A F H < S- 0 0 27 -4,-2.6 4,-0.5 -5,-0.2 -3,-0.2 0.516 101.3-115.3-122.4 -8.1 23.0 5.5 7.4 302 307 A G X - 0 0 16 -4,-3.0 4,-2.2 -5,-0.4 5,-0.2 -0.037 39.9 -74.4 88.5 162.1 19.3 5.9 7.4 303 308 A V H > S+ 0 0 52 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.944 126.3 53.1 -61.1 -53.2 17.3 7.8 10.0 304 309 A A H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 115.7 40.9 -52.0 -43.7 17.4 5.3 12.9 305 310 A N H > S+ 0 0 99 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.880 112.3 54.5 -73.4 -39.4 21.2 5.1 12.7 306 311 A A H X S+ 0 0 5 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.942 110.6 47.1 -58.6 -48.0 21.6 8.9 12.2 307 312 A V H X S+ 0 0 23 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.924 109.9 52.1 -59.5 -47.3 19.6 9.5 15.3 308 313 A A H X S+ 0 0 56 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.872 107.2 55.4 -57.4 -37.7 21.6 7.0 17.3 309 314 A I H X S+ 0 0 24 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.930 108.4 45.9 -61.0 -48.8 24.7 8.7 16.2 310 315 A A H < S+ 0 0 0 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.874 112.8 50.3 -63.3 -40.0 23.6 12.1 17.5 311 316 A K H < S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 104.0 59.5 -70.8 -27.5 22.5 10.7 20.8 312 317 A A H < S- 0 0 83 -4,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.804 124.5 -3.2 -72.7 -30.7 25.7 8.8 21.4 313 318 A G >X - 0 0 20 -4,-1.0 3,-1.4 -3,-0.3 4,-0.5 -0.832 58.4-137.3-167.7 125.6 27.9 11.9 21.4 314 319 A A T 34 S+ 0 0 62 -2,-0.3 4,-0.3 1,-0.3 3,-0.2 0.760 106.2 42.0 -55.9 -31.9 27.3 15.6 20.7 315 320 A F T 3> S+ 0 0 51 1,-0.2 4,-2.5 2,-0.1 5,-0.5 0.500 90.2 93.3 -96.7 -1.0 30.3 16.2 18.5 316 321 A N H <>>S+ 0 0 27 -3,-1.4 5,-3.2 -7,-0.2 4,-1.8 0.903 84.1 47.2 -55.0 -50.8 29.9 13.0 16.6 317 322 A L H <>S+ 0 0 3 -4,-0.5 5,-2.5 3,-0.2 -1,-0.2 0.916 120.9 33.8 -60.8 -49.4 27.9 14.4 13.7 318 323 A G H 45S+ 0 0 3 -4,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.849 129.8 29.9 -78.9 -36.5 30.0 17.4 13.0 319 324 A F H <5S+ 0 0 1 -4,-2.5 -3,-0.2 3,-0.1 -2,-0.2 0.606 134.9 17.0-101.3 -15.3 33.5 16.2 13.8 320 325 A I T X5S+ 0 0 6 -4,-1.8 4,-1.8 -5,-0.5 -3,-0.2 0.728 122.5 42.3-120.1 -57.5 33.3 12.5 13.0 321 326 A T H > S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.888 113.0 51.9 -62.4 -35.2 34.0 14.1 7.5 324 329 A A H < S+ 0 0 0 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.925 111.6 46.5 -63.6 -46.0 33.8 10.3 7.4 325 330 A I H >< S+ 0 0 2 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.952 111.3 51.2 -61.6 -49.9 30.9 10.5 4.9 326 331 A F H >< S+ 0 0 4 -4,-2.9 3,-2.4 1,-0.3 6,-0.2 0.860 99.1 65.7 -57.1 -35.9 32.7 13.1 2.8 327 332 A S T 3< S+ 0 0 32 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.684 92.2 64.0 -61.3 -16.3 35.8 10.9 2.7 328 333 A Q T < S+ 0 0 81 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.3 0.384 98.6 67.2 -87.8 2.7 33.7 8.4 0.7 329 334 A T S X S- 0 0 33 -3,-2.4 3,-2.0 -4,-0.1 4,-0.2 -0.862 97.3 -86.9-123.9 158.5 33.4 10.9 -2.2 330 335 A A T 3 S+ 0 0 95 -2,-0.3 -2,-0.1 1,-0.3 -3,-0.0 -0.422 116.1 9.8 -64.6 129.9 35.8 12.4 -4.7 331 336 A G T 3> S+ 0 0 50 -2,-0.2 4,-1.9 -4,-0.1 3,-0.5 0.628 87.8 141.9 74.9 13.9 37.5 15.6 -3.3 332 337 A G H <> + 0 0 4 -3,-2.0 4,-2.0 1,-0.2 -5,-0.2 0.787 63.2 57.5 -57.7 -33.6 36.0 14.7 0.1 333 338 A T H > S+ 0 0 54 2,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.900 108.7 47.2 -66.7 -38.4 39.0 15.8 2.0 334 339 A F H > S+ 0 0 112 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.872 109.3 52.9 -69.7 -36.9 38.7 19.2 0.5 335 340 A L H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.876 107.5 53.5 -63.1 -36.8 34.9 19.3 1.3 336 341 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.924 107.1 51.1 -61.5 -44.3 35.9 18.4 4.8 337 342 A F H X S+ 0 0 29 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.924 109.4 49.4 -58.8 -46.3 38.2 21.5 4.8 338 343 A L H X S+ 0 0 17 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.875 109.6 52.8 -61.3 -39.1 35.4 23.7 3.6 339 344 A W H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.950 114.3 40.4 -61.5 -51.9 33.1 22.4 6.3 340 345 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -225,-0.2 0.810 113.0 54.7 -69.8 -28.7 35.6 23.1 9.1 341 346 A F H X S+ 0 0 62 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.921 109.8 48.4 -68.4 -41.9 36.6 26.4 7.5 342 347 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.945 111.8 48.6 -59.5 -50.8 32.8 27.3 7.6 343 348 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.897 109.2 54.2 -58.8 -39.7 32.6 26.3 11.2 344 349 A F H X S+ 0 0 9 -4,-2.3 4,-3.2 -233,-0.2 -1,-0.2 0.938 111.5 42.5 -62.2 -47.4 35.7 28.3 12.1 345 350 A F H X S+ 0 0 29 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.873 114.4 52.0 -66.8 -35.3 34.3 31.5 10.6 346 351 A A H X S+ 0 0 0 -4,-2.6 4,-0.6 -5,-0.2 -2,-0.2 0.924 115.5 42.2 -65.7 -41.9 30.9 30.8 12.1 347 352 A G H >X S+ 0 0 0 -4,-2.8 4,-2.9 -327,-0.2 3,-0.9 0.936 111.3 53.8 -70.1 -46.4 32.6 30.4 15.5 348 353 A L H 3X S+ 0 0 2 -4,-3.2 4,-1.8 1,-0.3 5,-0.2 0.894 106.2 52.0 -56.1 -44.7 35.0 33.3 15.2 349 354 A T H 3< S+ 0 0 3 -4,-2.0 4,-0.3 1,-0.2 -1,-0.3 0.731 116.4 42.3 -66.6 -19.5 32.2 35.8 14.5 350 355 A S H X S+ 0 0 2 -4,-1.8 4,-1.4 1,-0.2 3,-0.5 0.856 105.9 56.7 -65.6 -28.6 34.3 37.9 19.5 353 358 A A H 34 S+ 0 0 0 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 106.8 46.4 -71.7 -29.5 30.7 38.7 20.4 354 359 A I H 3< S+ 0 0 1 -4,-1.0 -253,-0.3 -3,-0.4 4,-0.2 0.481 112.8 49.3 -94.0 0.3 30.9 36.9 23.8 355 360 A M H S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.947 106.3 43.6 -60.6 -45.7 31.0 42.3 27.0 358 363 A M H > S+ 0 0 3 -3,-0.4 4,-2.2 -4,-0.2 -2,-0.2 0.890 115.1 50.3 -64.3 -39.3 33.9 41.9 29.4 359 364 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.942 110.7 49.1 -63.1 -46.1 35.9 44.3 27.2 360 365 A A H X S+ 0 0 0 -4,-3.4 4,-3.1 1,-0.2 5,-0.4 0.866 110.4 51.1 -62.2 -37.8 33.1 46.9 27.3 361 366 A F H X>S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.2 5,-1.0 0.936 111.2 46.8 -65.3 -46.3 32.8 46.6 31.0 362 367 A L H <5S+ 0 0 8 -4,-2.2 6,-2.7 3,-0.2 4,-0.3 0.842 119.8 40.4 -64.8 -36.2 36.6 47.2 31.5 363 368 A E H X5S+ 0 0 41 -4,-2.3 4,-0.6 4,-0.3 -2,-0.2 0.955 123.0 38.0 -75.0 -55.0 36.5 50.1 29.1 364 369 A D H <5S+ 0 0 17 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.900 131.4 22.5 -64.5 -48.0 33.2 51.7 30.3 365 370 A E T <5S+ 0 0 29 -4,-2.7 -3,-0.2 -5,-0.4 -1,-0.1 0.805 133.1 31.8 -96.0 -33.6 33.4 51.1 34.0 366 371 A L T 4 - 0 0 55 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.352 33.0-109.9 -71.5 163.1 42.1 51.4 27.2 370 375 A R H > S+ 0 0 96 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.923 119.3 54.0 -61.8 -42.2 40.8 49.1 24.5 371 376 A K H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 113.4 41.0 -56.3 -48.5 44.2 47.5 24.2 372 377 A H H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.870 114.4 52.4 -69.5 -38.2 44.4 46.7 27.9 373 378 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.896 113.0 44.4 -64.6 -42.3 40.8 45.7 28.1 374 379 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.923 114.1 49.1 -69.1 -44.4 41.1 43.2 25.2 375 380 A L H X S+ 0 0 78 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.894 112.7 46.1 -64.6 -41.6 44.4 41.8 26.4 376 381 A W H X S+ 0 0 157 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.880 113.0 50.5 -68.9 -38.1 43.2 41.2 30.0 377 382 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.933 111.1 48.8 -63.8 -44.7 40.0 39.6 28.7 378 383 A A H X S+ 0 0 11 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.867 110.5 52.0 -62.1 -37.3 42.0 37.3 26.4 379 384 A A H X S+ 0 0 46 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.874 109.4 48.6 -67.1 -40.3 44.3 36.4 29.3 380 385 A I H X S+ 0 0 29 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.897 115.7 43.6 -67.2 -42.4 41.3 35.5 31.6 381 386 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.930 115.0 49.1 -69.1 -45.3 39.7 33.3 28.9 382 387 A F H X S+ 0 0 55 -4,-2.8 4,-0.6 -5,-0.2 -2,-0.2 0.958 115.4 43.2 -59.0 -52.6 43.1 31.7 27.8 383 388 A F H >< S+ 0 0 135 -4,-2.5 3,-1.7 1,-0.2 4,-0.3 0.965 115.4 47.9 -56.8 -55.2 44.0 30.8 31.4 384 389 A S H >X S+ 0 0 3 -4,-2.2 3,-1.7 1,-0.3 4,-0.6 0.783 99.1 69.6 -57.6 -31.7 40.5 29.6 32.4 385 390 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 3,-0.3 0.709 79.7 76.7 -62.0 -22.2 40.3 27.5 29.2 386 391 A H H S+ 0 0 35 -3,-1.7 4,-2.0 -4,-0.3 -1,-0.2 0.918 109.5 43.0 -67.7 -42.2 40.2 23.7 32.8 388 393 A V H < S+ 0 0 4 -4,-0.6 7,-0.3 -3,-0.3 -2,-0.2 0.832 114.0 51.9 -70.5 -34.4 38.1 22.8 29.7 389 394 A M H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.789 122.8 25.8 -74.3 -28.6 41.1 21.5 27.9 390 395 A F H < S+ 0 0 83 -4,-1.6 -233,-2.9 -5,-0.2 2,-0.7 0.664 105.8 71.5-112.8 -22.5 42.3 19.1 30.6 391 396 A L B >< S-A 156 0A 14 -4,-2.0 3,-2.0 -5,-0.3 4,-0.5 -0.875 80.2-126.3-104.1 114.7 39.4 18.1 32.8 392 397 A N T 3 S+ 0 0 38 -237,-2.3 -3,-0.1 -2,-0.7 -2,-0.0 -0.289 91.7 10.9 -58.1 133.1 36.9 15.7 31.2 393 398 A K T 3> S+ 0 0 115 -5,-0.1 4,-1.9 1,-0.1 -1,-0.3 0.454 90.3 113.7 76.6 3.8 33.3 17.0 31.3 394 399 A S H <> S+ 0 0 2 -3,-2.0 4,-2.5 -7,-0.2 5,-0.3 0.926 76.8 54.7 -67.3 -42.3 34.3 20.5 32.5 395 400 A L H > S+ 0 0 22 -4,-0.5 4,-2.7 -7,-0.3 5,-0.2 0.920 107.6 48.7 -55.9 -46.4 33.0 21.8 29.1 396 401 A D H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.897 109.8 52.4 -62.5 -39.7 29.6 20.1 29.6 397 402 A E H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.942 113.2 42.7 -61.6 -48.7 29.4 21.6 33.1 398 403 A M H X>S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-1.3 0.910 111.6 54.6 -64.4 -43.2 30.1 25.2 32.0 399 404 A D H <5S+ 0 0 24 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.817 112.4 46.2 -61.5 -30.2 27.8 24.8 28.9 400 405 A F H X>S+ 0 0 23 -4,-1.6 5,-2.5 3,-0.2 4,-1.1 0.974 116.7 37.8 -76.2 -58.8 25.0 23.7 31.3 401 406 A W H <>S+ 0 0 55 -4,-2.4 5,-0.8 3,-0.2 -2,-0.2 0.883 135.7 17.9 -62.5 -42.9 25.2 26.3 34.1 402 407 A A T <>S+ 0 0 0 -4,-2.3 5,-1.0 -5,-0.3 -3,-0.2 0.892 131.2 40.4 -95.6 -51.7 26.0 29.3 31.9 403 408 A G T 4S+ 0 0 0 -4,-1.8 4,-3.2 -5,-0.2 5,-0.5 0.931 111.0 46.5 -65.4 -45.0 12.6 40.9 30.9 416 421 A I H X>S+ 0 0 51 -4,-2.3 5,-2.6 1,-0.2 4,-1.6 0.919 114.3 47.4 -62.7 -45.1 11.3 41.4 34.4 417 422 A I H <>S+ 0 0 3 -4,-2.6 5,-2.6 3,-0.2 -1,-0.2 0.887 122.4 34.4 -64.7 -39.3 13.8 44.3 35.1 418 423 A F H <5S+ 0 0 0 -4,-2.3 5,-0.3 -5,-0.2 9,-0.2 0.910 129.3 29.7 -84.0 -45.5 13.0 46.1 31.8 419 424 A F H <5S+ 0 0 1 -4,-3.2 5,-0.5 -5,-0.3 -3,-0.2 0.658 132.8 26.3 -92.2 -17.9 9.3 45.3 31.3 420 425 A W T < - 0 0 20 -5,-0.3 4,-3.2 -6,-0.1 5,-0.2 0.154 17.9-125.8 126.5 117.1 7.9 49.9 33.3 424 429 A A H > S+ 0 0 7 -5,-0.5 4,-2.5 -4,-0.3 5,-0.2 0.851 113.3 44.5 -53.3 -40.7 6.1 48.1 30.5 425 430 A D H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.847 114.0 48.6 -76.6 -32.5 5.0 51.4 28.9 426 431 A K H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.892 115.3 47.0 -69.6 -39.9 8.4 53.0 29.3 427 432 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 -9,-0.2 -2,-0.2 0.942 110.6 49.6 -65.4 -50.5 10.0 49.9 27.8 428 433 A W H X S+ 0 0 50 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.892 112.7 49.4 -56.7 -41.4 7.6 49.6 24.9 429 434 A E H X S+ 0 0 131 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.919 110.1 50.3 -63.7 -44.6 8.3 53.2 24.2 430 435 A E H < S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.871 110.5 49.9 -63.7 -37.8 12.0 52.7 24.3 431 436 A I H < S+ 0 0 0 -4,-2.5 -161,-0.4 1,-0.2 -160,-0.2 0.938 115.6 41.1 -66.7 -46.9 11.9 49.7 21.9 432 437 A N H >< S+ 0 0 19 -4,-2.1 3,-2.4 -5,-0.2 -2,-0.2 0.683 84.3 115.5 -77.5 -19.5 9.8 51.5 19.3 433 438 A R T 3< S+ 0 0 68 -4,-1.8 -163,-0.2 1,-0.3 -162,-0.1 -0.306 92.4 1.3 -55.8 122.4 11.6 54.9 19.4 434 439 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.3 -165,-0.1 -165,-0.2 0.452 92.6 158.3 79.6 0.6 13.2 55.5 16.1 435 440 A G < - 0 0 26 -3,-2.4 -1,-0.2 1,-0.2 3,-0.1 -0.300 44.9-147.9 -62.9 137.3 12.0 52.3 14.6 436 441 A I S S+ 0 0 94 1,-0.1 2,-0.3 -2,-0.0 -1,-0.2 0.806 96.9 18.2 -69.8 -27.7 11.8 52.0 10.8 437 442 A I S S- 0 0 65 -5,-0.0 2,-0.3 3,-0.0 -165,-0.2 -0.933 89.7-117.4-136.4 156.1 8.8 49.8 11.6 438 443 A K - 0 0 169 -2,-0.3 3,-0.1 -3,-0.1 -6,-0.0 -0.671 34.6-102.4 -94.9 153.6 6.8 49.5 14.9 439 444 A V - 0 0 5 -2,-0.3 5,-0.1 -11,-0.2 -1,-0.1 -0.570 49.3 -95.6 -74.2 133.2 6.6 46.3 16.9 440 445 A P > - 0 0 69 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.244 33.8-126.2 -50.5 130.2 3.3 44.5 16.3 441 446 A R T >> S+ 0 0 194 1,-0.3 3,-2.0 2,-0.2 4,-0.6 0.785 104.7 65.7 -48.9 -40.4 0.9 45.5 19.0 442 447 A I H >> S+ 0 0 115 1,-0.3 4,-1.3 2,-0.2 3,-0.9 0.836 91.3 68.3 -55.6 -31.2 0.1 41.9 20.1 443 448 A Y H <> S+ 0 0 32 -3,-1.7 4,-2.8 1,-0.2 -1,-0.3 0.675 84.7 68.1 -63.9 -18.1 3.7 41.6 21.2 444 449 A Y H <> S+ 0 0 24 -3,-2.0 4,-1.8 -4,-0.3 -1,-0.2 0.909 105.7 42.1 -66.5 -40.2 3.2 44.1 24.0 445 450 A Y H S+ 0 0 111 -3,-0.9 4,-2.2 -4,-0.6 5,-1.3 0.814 113.1 53.4 -74.7 -31.9 1.0 41.5 25.7 446 451 A V H <>S+ 0 0 14 -4,-1.3 5,-2.8 3,-0.2 -2,-0.2 0.964 112.1 44.1 -66.8 -50.6 3.4 38.7 24.8 447 452 A M H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.881 118.8 42.7 -61.7 -41.2 6.4 40.6 26.4 448 453 A R H <5S+ 0 0 80 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.857 136.7 1.7 -78.0 -33.9 4.5 41.6 29.5 449 454 A Y T X5S+ 0 0 120 -4,-2.2 4,-1.4 -5,-0.1 -3,-0.2 0.781 125.9 46.6-120.7 -49.6 2.6 38.4 30.3 450 455 A I H > S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.868 116.2 47.3 -62.0 -34.9 7.8 35.7 31.4 453 458 A A H X S+ 0 0 54 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.888 111.7 51.8 -71.0 -39.4 5.1 33.1 32.2 454 459 A F H X S+ 0 0 45 -4,-3.1 4,-2.0 2,-0.2 -3,-0.2 0.957 115.0 41.1 -59.2 -53.8 6.4 30.8 29.6 455 460 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.877 111.2 56.4 -64.3 -41.1 10.0 31.0 30.9 456 461 A A H X S+ 0 0 40 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.916 109.8 45.6 -59.5 -44.2 8.9 30.8 34.6 457 462 A V H X S+ 0 0 93 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.935 112.5 51.5 -63.8 -46.3 7.1 27.5 34.0 458 463 A L H X S+ 0 0 14 -4,-2.0 4,-2.1 1,-0.2 3,-0.3 0.947 109.3 49.5 -54.5 -54.5 10.1 26.1 32.0 459 464 A L H X S+ 0 0 27 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.835 109.3 52.5 -56.8 -35.9 12.6 27.0 34.7 460 465 A V H X S+ 0 0 64 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.880 110.3 47.1 -69.8 -37.1 10.4 25.4 37.4 461 466 A V H X S+ 0 0 44 -4,-2.0 4,-2.4 -3,-0.3 -2,-0.2 0.850 112.3 51.9 -70.7 -33.6 10.2 22.1 35.4 462 467 A W H X>S+ 0 0 16 -4,-2.1 5,-2.6 -5,-0.2 4,-1.1 0.943 111.5 44.2 -66.5 -51.5 13.9 22.2 34.9 463 468 A A H <5S+ 0 0 53 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.735 120.3 43.1 -67.4 -23.6 14.8 22.7 38.5 464 469 A R H <5S+ 0 0 188 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.845 125.2 22.7 -94.6 -37.8 12.4 20.0 39.6 465 470 A E H <5S+ 0 0 139 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.1 0.252 134.4 20.7-115.9 15.2 12.7 17.1 37.2 466 471 A Y T >X5S+ 0 0 88 -4,-1.1 4,-1.1 -5,-0.1 3,-0.8 0.516 106.1 64.9-144.6 -46.8 16.2 17.5 35.7 467 472 A I H 3> S+ 0 0 63 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.881 101.0 51.5 -72.4 -34.8 18.5 17.1 40.7 469 474 A K H <> S+ 0 0 152 -3,-0.8 4,-3.0 1,-0.2 -2,-0.2 0.846 109.4 50.1 -67.5 -35.2 20.0 14.3 38.5 470 475 A I H < S+ 0 0 45 -4,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.778 114.2 45.9 -73.4 -26.7 22.8 16.6 37.4 471 476 A M H < S+ 0 0 91 -4,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.680 126.5 28.2 -88.2 -20.3 23.4 17.5 41.1 472 477 A E H < S+ 0 0 162 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.675 119.6 47.7-113.1 -25.0 23.3 13.8 42.3 473 478 A E S < S+ 0 0 137 -4,-3.0 2,-0.2 -5,-0.2 -3,-0.1 0.228 85.9 99.4-106.7 15.9 24.4 11.7 39.3 474 479 A T S S- 0 0 58 -4,-0.3 -4,-0.0 1,-0.1 -3,-0.0 -0.653 79.7 -92.4-101.8 160.6 27.6 13.3 38.1 475 480 A H > - 0 0 96 -2,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.301 40.3-111.6 -62.7 151.1 31.3 12.5 38.8 476 481 A W T > S+ 0 0 173 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.803 110.6 74.3 -57.1 -31.1 32.8 14.3 41.7 477 482 A T T >> S+ 0 0 6 1,-0.3 3,-1.4 2,-0.2 4,-1.0 0.655 74.4 80.4 -59.2 -14.8 35.1 16.3 39.4 478 483 A V H <> S+ 0 0 10 -3,-1.9 4,-2.3 1,-0.3 -1,-0.3 0.802 84.6 63.2 -62.2 -26.0 32.1 18.4 38.3 479 484 A W H <> S+ 0 0 140 -3,-2.2 4,-2.5 -4,-0.2 -1,-0.3 0.744 91.7 62.7 -69.5 -23.6 32.7 20.3 41.6 480 485 A I H <> S+ 0 0 63 -3,-1.4 4,-2.3 -4,-0.3 -1,-0.2 0.949 110.3 39.7 -64.5 -46.1 36.1 21.4 40.4 481 486 A T H X S+ 0 0 1 -4,-1.0 4,-2.9 2,-0.2 5,-0.3 0.928 114.7 51.0 -69.2 -45.8 34.3 23.3 37.6 482 487 A R H X S+ 0 0 11 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.933 112.0 49.3 -56.0 -46.0 31.4 24.5 39.7 483 488 A F H X S+ 0 0 158 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.939 112.1 47.6 -58.7 -50.9 34.0 25.8 42.2 484 489 A Y H X S+ 0 0 61 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.921 113.9 44.6 -62.2 -44.0 36.0 27.6 39.6 485 490 A I H X S+ 0 0 4 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.816 110.2 54.8 -73.9 -24.3 33.1 29.3 37.9 486 491 A I H X S+ 0 0 100 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.903 108.0 51.7 -69.9 -36.2 31.6 30.3 41.2 487 492 A G H X S+ 0 0 35 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.902 105.5 54.2 -64.6 -41.4 35.0 31.9 41.9 488 493 A L H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.877 107.2 51.0 -59.1 -37.7 34.8 33.8 38.5 489 494 A F H X S+ 0 0 45 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.913 109.9 50.0 -66.0 -41.1 31.4 35.2 39.6 490 495 A L H X S+ 0 0 125 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.889 111.1 49.4 -60.9 -44.3 32.9 36.3 42.9 491 496 A F H X S+ 0 0 80 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.904 111.1 48.2 -63.6 -44.5 35.8 38.0 41.0 492 497 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.865 109.4 53.3 -66.1 -36.1 33.4 39.8 38.6 493 498 A T H X S+ 0 0 45 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.904 107.0 52.8 -65.5 -38.7 31.3 41.0 41.5 494 499 A F H X S+ 0 0 114 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.901 107.7 51.2 -62.6 -39.6 34.5 42.4 43.1 495 500 A L H X S+ 0 0 17 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.872 108.4 50.8 -65.7 -36.3 35.2 44.3 39.8 496 501 A V H X S+ 0 0 13 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.853 109.0 52.6 -67.8 -34.1 31.7 45.8 39.8 497 502 A F H X S+ 0 0 82 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.902 109.7 48.4 -66.3 -41.9 32.3 46.8 43.4 498 503 A L H X S+ 0 0 65 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.853 107.8 54.1 -67.7 -35.1 35.5 48.5 42.3 499 504 A A H X S+ 0 0 11 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.888 106.7 53.5 -65.3 -37.6 33.7 50.3 39.5 500 505 A E H X S+ 0 0 29 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.943 111.1 45.1 -58.7 -50.8 31.3 51.6 42.1 501 506 A R H X S+ 0 0 92 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.792 110.5 53.1 -65.5 -32.0 34.1 53.0 44.2 502 507 A 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