==== 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 31-OCT-08 3F4I . 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) . 20278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 79.8 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 . 49 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 61.0 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 2 1 0 2 1 0 2 3 0 1 0 0 1 0 1 0 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 0 100 0, 0.0 2,-0.0 0, 0.0 262,-0.0 0.000 360.0 360.0 360.0 144.8 32.5 55.9 22.8 2 6 A E - 0 0 50 262,-0.0 2,-0.3 1,-0.0 179,-0.0 -0.334 360.0-164.4 -66.2 153.9 33.0 53.9 19.7 3 7 A H - 0 0 56 262,-0.0 261,-0.2 -2,-0.0 180,-0.2 -0.985 30.1 -97.0-137.6 150.5 30.1 53.4 17.3 4 8 A W - 0 0 6 259,-1.6 261,-0.2 -2,-0.3 179,-0.1 -0.446 33.5-144.2 -59.2 138.9 29.3 51.1 14.5 5 9 A A S S+ 0 0 71 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.927 72.5 18.0 -77.1 -48.2 30.3 52.9 11.2 6 10 A T > - 0 0 58 1,-0.1 4,-2.2 177,-0.1 -1,-0.1 -0.856 68.8-122.8-126.8 159.7 27.6 51.6 8.9 7 11 A R H > S+ 0 0 82 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.890 114.9 51.0 -66.6 -39.4 24.2 49.9 9.2 8 12 A L H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 109.7 50.1 -63.2 -44.3 25.4 47.0 7.1 9 13 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.911 109.9 50.7 -59.6 -45.5 28.4 46.6 9.2 10 14 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.926 112.4 47.3 -55.7 -47.6 26.3 46.6 12.4 11 15 A I H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.904 113.5 45.6 -64.7 -45.0 24.0 44.0 10.9 12 16 A L H X S+ 0 0 30 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.816 112.9 51.5 -70.2 -31.3 26.8 41.6 9.7 13 17 A A H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.928 113.4 43.9 -68.4 -46.3 28.6 42.0 13.1 14 18 A M H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.878 113.9 50.4 -64.6 -40.0 25.4 41.1 15.0 15 19 A A H X S+ 0 0 2 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.886 111.3 49.4 -63.8 -39.3 24.7 38.3 12.5 16 20 A G H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.842 105.3 57.8 -67.7 -34.8 28.3 37.2 13.1 17 21 A N H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.976 119.2 31.0 -55.1 -51.8 27.7 37.4 16.9 18 22 A A H < S+ 0 0 2 -4,-2.3 2,-0.8 494,-0.1 4,-0.2 0.985 101.2 76.7 -72.7 -61.8 24.8 34.9 16.4 19 23 A V S < S+ 0 0 3 -4,-3.2 2,-0.1 -5,-0.1 330,-0.1 -0.332 73.8 118.4 -62.4 99.3 25.8 32.6 13.5 20 24 A G S >> S- 0 0 0 -2,-0.8 3,-1.5 229,-0.1 4,-1.1 -0.460 80.6 -46.2-138.4-155.6 28.3 30.3 15.1 21 25 A L H 3>>S+ 0 0 9 491,-0.5 4,-2.9 1,-0.3 5,-1.5 0.785 124.6 70.0 -53.7 -28.0 29.3 26.8 16.1 22 26 A G H 34>S+ 0 0 0 490,-2.4 5,-2.6 -4,-0.2 -1,-0.3 0.831 98.3 47.0 -60.0 -34.9 25.7 26.7 17.4 23 27 A N H <45S+ 0 0 0 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.881 124.0 28.6 -73.1 -40.2 24.3 26.7 13.9 24 28 A F H <5S+ 0 0 1 -4,-1.1 -2,-0.2 3,-0.1 269,-0.2 0.693 135.5 21.3-102.1 -22.4 26.6 24.0 12.4 25 29 A L T X5S+ 0 0 13 -4,-2.9 4,-1.0 -5,-0.2 -3,-0.2 0.780 126.7 37.9-109.7 -50.1 27.5 21.8 15.3 26 30 A R H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.911 113.9 45.6 -59.2 -40.7 22.0 19.4 14.0 29 33 A V H X S+ 0 0 7 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.925 114.0 47.9 -66.2 -46.4 22.6 17.3 17.2 30 34 A Q H X S+ 0 0 35 -4,-2.6 4,-1.0 1,-0.2 6,-0.2 0.931 115.1 45.2 -60.7 -47.2 19.8 18.9 19.1 31 35 A A H <>S+ 0 0 1 -4,-2.9 5,-2.7 -5,-0.2 3,-0.3 0.905 114.7 48.5 -63.5 -41.5 17.3 18.4 16.2 32 36 A A H ><5S+ 0 0 2 -4,-2.2 3,-1.0 -5,-0.3 -2,-0.2 0.880 109.2 51.6 -68.7 -39.7 18.5 14.9 15.6 33 37 A E H 3<5S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.742 109.9 52.8 -66.3 -23.7 18.2 13.8 19.2 34 38 A N T 3<5S- 0 0 31 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 -0.105 127.8 -84.1-113.1 34.4 14.7 15.1 19.4 35 39 A G T X 5 - 0 0 41 -3,-1.0 3,-1.1 3,-0.2 2,-0.9 0.537 53.6-118.6 83.9 8.1 13.0 13.4 16.5 36 40 A G T >> S+ 0 0 2 187,-2.2 4,-0.7 -2,-0.9 192,-0.3 0.759 114.7 62.8 -56.4 -26.5 10.7 17.3 12.6 38 42 A A H <4 S+ 0 0 3 -3,-1.1 -1,-0.3 190,-0.2 -3,-0.2 0.707 101.2 52.5 -71.1 -21.0 9.4 16.9 16.1 39 43 A F H <> S+ 0 0 0 -3,-2.1 4,-1.7 -8,-0.2 -1,-0.2 0.773 98.1 67.1 -81.4 -28.2 12.0 19.4 17.3 40 44 A M H X S+ 0 0 7 -4,-0.9 4,-2.8 185,-0.3 5,-0.2 0.784 91.4 56.1 -73.9 -32.6 11.0 22.1 14.8 41 45 A I H X S+ 0 0 46 -4,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.980 113.8 40.0 -63.4 -56.0 7.5 23.0 16.0 42 46 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.856 115.6 55.4 -57.9 -34.8 8.7 23.9 19.5 43 47 A Y H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.930 109.2 43.8 -64.6 -48.3 11.8 25.5 17.9 44 48 A I H X S+ 0 0 77 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.902 114.9 50.6 -63.0 -40.9 9.8 27.8 15.7 45 49 A I H X S+ 0 0 55 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.879 109.5 49.9 -66.1 -39.8 7.4 28.6 18.5 46 50 A A H X>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-2.2 0.855 106.8 56.4 -66.0 -35.9 10.3 29.4 20.9 47 51 A F H <>S+ 0 0 30 -4,-1.9 5,-3.0 3,-0.2 -2,-0.2 0.918 113.7 39.9 -60.2 -41.9 11.8 31.7 18.2 48 52 A L H <5S+ 0 0 84 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.878 124.7 34.7 -76.2 -40.6 8.5 33.7 18.1 49 53 A L H <5S+ 0 0 50 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.659 139.4 8.6 -92.4 -17.8 7.7 33.8 21.8 50 54 A V T X5S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.3 0.669 121.8 53.3-126.4 -57.2 11.3 34.0 23.1 51 55 A G H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.911 115.1 48.1 -59.5 -44.2 11.2 39.5 21.9 54 58 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.861 107.6 56.5 -64.9 -36.7 14.4 38.9 23.9 55 59 A M H X S+ 0 0 4 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.943 109.2 45.6 -57.2 -49.6 16.5 40.0 21.0 56 60 A W H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.911 111.7 52.9 -60.5 -42.9 14.7 43.4 20.8 57 61 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.902 110.8 46.0 -60.0 -44.0 14.9 43.7 24.6 58 62 A E H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.878 111.7 50.5 -69.4 -40.4 18.7 43.2 24.6 59 63 A W H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.921 113.1 48.2 -58.2 -44.4 19.3 45.6 21.7 60 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.910 111.4 48.1 -65.6 -43.6 17.3 48.2 23.6 61 65 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.913 113.8 48.1 -63.8 -42.6 19.1 47.7 26.9 62 66 A G H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.932 113.4 45.5 -63.5 -48.5 22.5 47.9 25.1 63 67 A R H X S+ 0 0 1 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.923 113.5 51.6 -61.3 -43.0 21.6 51.0 23.2 64 68 A Y H < S+ 0 0 48 -4,-2.6 4,-0.4 -5,-0.2 -2,-0.2 0.926 114.7 41.5 -58.7 -48.4 20.1 52.6 26.3 65 69 A G H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-1.7 0.899 109.5 58.4 -67.1 -41.8 23.2 51.9 28.4 66 70 A G H ><5S+ 0 0 8 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.832 96.1 63.3 -57.9 -34.1 25.6 52.9 25.6 67 71 A A T 3<5S+ 0 0 58 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.716 108.3 42.9 -64.9 -20.2 24.1 56.3 25.5 68 72 A Q T < 5S- 0 0 90 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.190 128.3 -96.8-109.5 14.1 25.3 56.8 29.0 69 73 A G T < 5S+ 0 0 30 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.721 87.8 116.7 81.4 22.9 28.7 55.3 28.4 70 74 A H < + 0 0 45 -5,-2.4 -2,-0.3 -8,-0.1 -1,-0.2 -0.980 29.0 167.1-128.6 137.0 27.9 51.7 29.7 71 75 A G + 0 0 0 -2,-0.4 2,-0.3 289,-0.1 191,-0.2 0.463 57.9 71.2-124.4 -6.2 27.9 48.5 27.7 72 76 A T S >> S- 0 0 2 288,-0.1 4,-2.3 -7,-0.1 3,-0.6 -0.818 80.7-113.3-120.4 159.8 27.7 45.8 30.3 73 77 A T H 3> S+ 0 0 2 -2,-0.3 4,-2.6 17,-0.2 5,-0.3 0.680 103.5 66.3 -69.2 -26.0 25.0 44.6 32.7 74 78 A P H 3> S+ 0 0 4 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.962 117.1 30.0 -59.6 -45.2 26.4 45.5 36.1 75 79 A A H <> S+ 0 0 17 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.919 121.8 51.0 -73.4 -46.9 26.0 49.2 35.2 76 80 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -3,-0.2 0.883 108.4 51.1 -63.7 -40.5 23.1 48.8 32.8 77 81 A F H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.863 110.4 51.4 -61.2 -35.6 21.0 46.8 35.4 78 82 A Y H < S+ 0 0 49 -4,-0.8 -2,-0.2 -5,-0.3 -1,-0.2 0.834 106.1 53.4 -73.2 -33.3 21.7 49.6 37.9 79 83 A L H < S+ 0 0 19 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.861 115.7 40.9 -64.6 -36.2 20.6 52.3 35.4 80 84 A L H < S+ 0 0 10 -4,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.726 132.2 22.3 -84.1 -25.2 17.3 50.4 35.0 81 85 A W S < S- 0 0 65 -4,-1.7 2,-2.5 -5,-0.2 -1,-0.3 -0.817 72.7-147.1-150.3 99.9 17.0 49.5 38.7 82 86 A R + 0 0 143 -2,-0.3 2,-0.3 -3,-0.2 -4,-0.1 -0.398 59.6 115.5 -73.0 73.6 18.8 51.7 41.3 83 87 A N S >> S- 0 0 68 -2,-2.5 3,-2.3 -6,-0.1 4,-1.0 -0.997 72.9-126.5-148.5 134.9 19.5 48.9 43.7 84 88 A R H 3> S+ 0 0 137 -2,-0.3 4,-1.4 1,-0.3 3,-0.4 0.827 112.2 60.1 -49.0 -35.7 22.6 47.2 45.0 85 89 A F H 3> S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.755 94.6 63.1 -67.1 -25.5 21.1 43.9 44.0 86 90 A A H <> S+ 0 0 0 -3,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.893 102.5 49.7 -64.6 -40.2 20.9 45.1 40.4 87 91 A K H X S+ 0 0 18 -4,-1.0 4,-0.8 -3,-0.4 -2,-0.2 0.905 112.4 47.3 -64.4 -42.2 24.7 45.3 40.3 88 92 A I H >< S+ 0 0 74 -4,-1.4 3,-0.9 1,-0.2 4,-0.4 0.918 112.9 46.9 -67.9 -45.5 25.2 41.8 41.7 89 93 A L H >< S+ 0 0 25 -4,-2.6 3,-1.2 1,-0.2 4,-0.3 0.858 106.6 62.0 -60.7 -34.8 22.6 40.3 39.3 90 94 A G H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 4,-0.3 0.740 84.6 76.0 -64.0 -24.7 24.4 42.2 36.6 91 95 A V T XX S+ 0 0 1 -3,-0.9 4,-3.0 -4,-0.8 3,-2.0 0.822 82.9 66.9 -57.4 -31.9 27.7 40.3 37.3 92 96 A F H <> S+ 0 0 49 -3,-1.2 4,-2.5 -4,-0.4 -1,-0.3 0.786 90.8 63.8 -59.9 -25.9 26.1 37.3 35.5 93 97 A G H <4 S+ 0 0 2 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.577 113.0 33.7 -76.5 -10.3 26.4 39.4 32.3 94 98 A L H <> S+ 0 0 1 -3,-2.0 4,-1.6 -4,-0.3 -2,-0.2 0.690 119.4 51.6-102.5 -38.9 30.1 39.4 32.7 95 99 A W H X S+ 0 0 20 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.919 106.0 52.1 -66.9 -47.7 30.4 35.9 34.2 96 100 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.948 112.9 43.1 -57.6 -52.5 28.4 34.0 31.6 97 101 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.856 114.0 52.5 -65.2 -33.5 30.3 35.3 28.5 98 102 A L H X S+ 0 0 4 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.942 112.6 43.8 -64.0 -48.7 33.7 34.8 30.3 99 103 A V H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 5,-0.2 0.907 114.9 49.1 -63.7 -41.6 32.9 31.2 31.2 100 104 A V H >X S+ 0 0 0 -4,-2.6 4,-3.3 -5,-0.3 3,-0.9 0.915 108.2 54.1 -64.7 -40.8 31.6 30.5 27.7 101 105 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.4 0.885 99.5 64.6 -57.1 -39.2 34.7 32.1 26.2 102 106 A I H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 119.2 20.3 -60.3 -31.0 36.8 29.8 28.2 103 107 A Y H S+ 0 0 4 -5,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.957 110.2 44.9 -62.5 -49.2 39.1 26.1 22.7 107 111 A I H X S+ 0 0 13 -4,-2.1 4,-1.3 1,-0.2 3,-0.3 0.904 111.2 54.9 -61.3 -40.4 36.5 24.3 20.5 108 112 A E H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.3 0.885 103.2 56.3 -56.5 -40.7 37.0 27.0 17.9 109 113 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.842 99.9 58.9 -64.0 -33.3 40.7 26.3 18.0 110 114 A W H X S+ 0 0 9 -4,-1.5 4,-2.8 -3,-0.3 -1,-0.2 0.888 102.3 53.5 -59.7 -41.3 40.0 22.6 17.1 111 115 A T H X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.3 233,-0.2 0.857 110.3 47.4 -64.8 -34.9 38.3 23.7 13.9 112 116 A L H X S+ 0 0 22 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.924 111.9 49.9 -67.9 -45.8 41.4 25.7 12.9 113 117 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.898 113.7 45.6 -58.3 -42.9 43.7 22.8 13.8 114 118 A F H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.903 110.0 54.0 -68.3 -42.5 41.5 20.4 11.7 115 119 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 225,-0.2 -2,-0.2 0.947 110.5 47.5 -55.8 -49.7 41.3 22.9 8.8 116 120 A I H X S+ 0 0 65 -4,-2.6 4,-2.1 1,-0.2 6,-0.2 0.950 114.6 44.8 -55.3 -53.4 45.1 23.1 8.7 117 121 A K H <>S+ 0 0 48 -4,-2.2 5,-2.4 1,-0.2 4,-0.3 0.857 115.0 48.1 -63.7 -36.3 45.6 19.4 8.8 118 122 A F H <5S+ 0 0 6 -4,-2.9 3,-0.5 3,-0.2 219,-0.2 0.861 109.6 53.5 -72.7 -34.8 42.9 18.7 6.2 119 123 A L H <5S+ 0 0 98 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.916 113.8 41.2 -62.5 -44.0 44.3 21.4 3.9 120 124 A V T <5S- 0 0 96 -4,-2.1 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-2,-0.2 0.495 108.0-119.8 -89.8 2.3 20.7 33.8 19.1 251 256 A S T X<5 + 0 0 0 -3,-0.9 3,-0.8 -4,-0.8 6,-0.7 0.804 58.0 160.7 64.0 30.7 23.4 34.7 21.7 252 257 A L T 3 < + 0 0 0 -5,-2.0 -1,-0.2 -6,-0.3 159,-0.2 -0.682 58.3 17.8 -89.2 136.3 20.7 35.6 24.1 253 258 A G T 3 S+ 0 0 0 -2,-0.4 -1,-0.2 157,-0.2 157,-0.1 0.492 99.0 99.1 85.2 4.5 21.4 35.7 27.9 254 259 A F S < S- 0 0 0 -3,-0.8 -2,-0.1 -7,-0.1 -154,-0.1 0.502 89.7-125.2 -97.5 -10.0 25.2 35.9 27.1 255 260 A G S > S+ 0 0 2 -4,-0.2 4,-1.8 -159,-0.1 5,-0.1 0.366 86.0 107.8 79.1 -5.3 25.5 39.7 27.5 256 261 A A H > S+ 0 0 0 -5,-0.4 4,-1.9 2,-0.2 5,-0.2 0.867 74.1 46.4 -75.6 -40.0 27.0 39.7 24.0 257 262 A I H > S+ 0 0 2 -6,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.897 112.0 53.3 -69.0 -39.9 24.1 41.3 22.2 258 263 A I H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.940 109.7 47.2 -58.7 -48.5 23.7 43.9 24.9 259 264 A T H < S+ 0 0 2 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.893 113.1 47.4 -64.6 -42.0 27.4 44.9 24.6 260 265 A Y H >< S+ 0 0 1 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.920 110.7 52.8 -62.2 -43.7 27.4 45.1 20.8 261 266 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.708 92.3 74.5 -66.7 -19.3 24.1 47.2 20.9 262 267 A S T 3< S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.570 92.4 56.1 -70.6 -7.1 25.8 49.6 23.3 263 268 A Y T < S+ 0 0 5 -3,-1.7 -259,-1.6 -4,-0.1 2,-0.4 0.324 83.0 104.7-105.5 3.9 27.8 50.9 20.3 264 269 A V S < S- 0 0 4 -3,-1.7 -198,-0.1 -261,-0.2 6,-0.0 -0.715 85.3-102.0 -81.5 134.3 24.6 51.7 18.3 265 270 A R > - 0 0 130 -2,-0.4 3,-1.1 -261,-0.2 -1,-0.1 -0.235 31.6-110.7 -59.5 146.7 23.9 55.4 18.3 266 271 A K T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -200,-0.1 -199,-0.1 0.775 115.9 35.8 -49.7 -35.6 21.2 56.6 20.7 267 272 A D T 3 S+ 0 0 99 2,-0.1 -1,-0.3 167,-0.0 -2,-0.1 0.602 90.9 115.3 -97.0 -14.8 18.7 57.4 17.9 268 273 A Q S < S- 0 0 38 -3,-1.1 167,-0.1 1,-0.1 -4,-0.1 -0.249 74.7 -97.0 -64.9 143.2 19.6 54.6 15.5 269 274 A D + 0 0 6 165,-0.2 166,-0.2 1,-0.1 -1,-0.1 -0.264 42.0 167.3 -59.4 139.6 17.0 51.9 14.7 270 275 A I > + 0 0 0 161,-0.3 4,-1.9 163,-0.2 5,-0.3 0.444 65.9 71.7-125.6 -13.2 17.1 48.6 16.6 271 276 A V H > S+ 0 0 0 160,-0.2 4,-2.0 166,-0.2 5,-0.1 0.971 109.0 29.3 -69.1 -55.0 13.8 47.1 15.6 272 277 A L H > S+ 0 0 51 2,-0.2 4,-2.2 165,-0.2 -1,-0.1 0.862 123.1 51.3 -74.5 -37.3 14.5 46.3 12.0 273 278 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 111.9 46.5 -63.6 -49.5 18.2 45.7 12.6 274 279 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.945 114.3 47.6 -56.7 -50.7 17.5 43.4 15.5 275 280 A L H X S+ 0 0 52 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.872 111.3 51.9 -59.1 -38.6 14.9 41.5 13.5 276 281 A T H X S+ 0 0 47 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.926 110.1 47.0 -67.0 -45.8 17.3 41.3 10.5 277 282 A A H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.928 113.9 48.9 -59.9 -45.8 20.2 39.8 12.5 278 283 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.908 112.5 47.6 -60.5 -44.3 17.9 37.3 14.2 279 284 A T H X S+ 0 0 46 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.875 108.8 53.8 -66.6 -40.0 16.4 36.3 10.8 280 285 A L H X S+ 0 0 61 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.914 108.7 50.6 -59.8 -43.9 19.8 35.9 9.2 281 286 A N H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.927 108.9 50.2 -58.7 -47.6 20.8 33.6 12.0 282 287 A E H X>S+ 0 0 17 -4,-2.0 4,-2.8 1,-0.2 5,-0.5 0.859 110.0 50.7 -63.0 -36.2 17.7 31.4 11.6 283 288 A K H X>S+ 0 0 115 -4,-2.1 4,-1.7 1,-0.2 5,-1.4 0.936 111.4 47.6 -64.6 -46.7 18.3 31.1 7.9 284 289 A A H <>S+ 0 0 9 -4,-2.4 5,-3.1 3,-0.2 -2,-0.2 0.825 118.1 44.3 -62.9 -31.3 21.9 30.1 8.5 285 290 A E H <>S+ 0 0 0 -4,-2.1 5,-1.9 3,-0.2 -2,-0.2 0.971 123.0 27.7 -78.7 -58.6 20.8 27.6 11.1 286 291 A V H <5S+ 0 0 20 -4,-2.8 -3,-0.2 3,-0.2 -2,-0.1 0.829 132.5 33.0 -80.2 -31.3 17.7 25.8 9.7 287 292 A I T < > S+ 0 0 0 -3,-0.9 4,-1.6 -4,-0.5 5,-0.2 0.867 111.7 25.9-100.7 -70.3 24.7 19.8 5.8 293 298 A S H X S+ 0 0 1 -4,-0.8 4,-2.3 2,-0.2 5,-0.2 0.913 121.4 47.3 -67.7 -49.5 25.5 17.3 8.7 294 299 A I H > S+ 0 0 7 -5,-0.4 4,-3.0 -4,-0.2 5,-0.3 0.945 113.9 45.0 -62.3 -52.6 22.1 15.5 9.0 295 300 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.882 113.5 51.8 -59.7 -38.6 21.4 14.9 5.3 296 301 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.933 114.0 43.1 -62.5 -46.1 25.0 13.7 4.8 297 302 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.4 0.911 115.9 46.8 -66.9 -45.1 24.8 11.3 7.7 298 303 A V H X S+ 0 0 2 -4,-3.0 4,-2.6 3,-0.2 -2,-0.2 0.904 108.8 56.4 -64.5 -40.9 21.3 10.0 6.8 299 304 A A H < S+ 0 0 0 -4,-2.5 -86,-0.4 -5,-0.3 -84,-0.4 0.907 118.8 31.7 -56.0 -43.9 22.4 9.6 3.1 300 305 A F H < S+ 0 0 46 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.783 137.4 20.1 -86.5 -29.3 25.2 7.3 4.2 301 306 A F H < S- 0 0 32 -4,-2.7 4,-0.5 -5,-0.2 -3,-0.2 0.553 100.2-119.1-119.2 -12.8 23.8 5.6 7.3 302 307 A G X - 0 0 16 -4,-2.6 4,-2.0 -5,-0.4 5,-0.1 -0.070 41.7 -71.6 82.2 166.2 20.0 6.0 7.1 303 308 A V H > S+ 0 0 55 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.946 127.1 52.2 -61.4 -55.3 17.9 7.8 9.7 304 309 A A H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.878 115.0 42.7 -52.3 -44.5 18.1 5.3 12.6 305 310 A N H > S+ 0 0 95 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.874 112.3 53.7 -70.8 -38.0 21.9 5.2 12.5 306 311 A A H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 109.2 48.4 -61.4 -47.1 22.2 8.9 12.0 307 312 A V H X S+ 0 0 31 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.898 110.5 51.9 -59.3 -42.0 20.1 9.6 15.1 308 313 A A H X S+ 0 0 57 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.2 0.884 109.1 50.1 -63.1 -40.0 22.3 7.1 17.0 309 314 A I H X S+ 0 0 26 -4,-2.3 4,-0.8 1,-0.2 3,-0.4 0.915 108.8 53.0 -61.6 -43.2 25.4 9.0 15.9 310 315 A A H < S+ 0 0 1 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.878 110.6 45.7 -61.4 -40.8 23.8 12.3 17.0 311 316 A K H < S+ 0 0 122 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.701 96.0 80.4 -73.2 -20.0 23.1 10.9 20.5 312 317 A A H < S- 0 0 64 -4,-1.0 2,-0.3 -3,-0.4 -1,-0.2 0.883 112.4 -41.7 -56.9 -44.8 26.6 9.5 20.6 313 318 A G < - 0 0 22 -4,-0.8 4,-0.3 -3,-0.4 -1,-0.1 -0.952 51.7-101.0-168.6-179.2 28.2 12.8 21.5 314 319 A A S S+ 0 0 60 -2,-0.3 4,-0.3 1,-0.1 -285,-0.1 0.710 119.7 33.8 -88.4 -21.8 28.2 16.5 20.8 315 320 A F S >>S+ 0 0 47 2,-0.1 4,-2.6 1,-0.1 5,-0.5 0.492 93.1 89.3-111.8 -8.7 31.3 16.4 18.5 316 321 A N H >>S+ 0 0 24 1,-0.2 5,-3.2 2,-0.2 4,-1.4 0.908 91.1 44.9 -57.6 -46.7 30.9 13.0 16.9 317 322 A L H 4>S+ 0 0 6 -4,-0.3 5,-2.6 3,-0.2 -1,-0.2 0.927 121.2 36.2 -65.8 -46.9 28.9 14.2 14.0 318 323 A G H 45S+ 0 0 2 -4,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.814 128.1 29.0 -80.6 -33.7 30.9 17.3 13.1 319 324 A F H <5S+ 0 0 1 -4,-2.6 -3,-0.2 3,-0.1 -2,-0.2 0.613 134.9 18.4-105.5 -16.6 34.5 16.2 13.8 320 325 A I T X S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.876 112.5 52.8 -64.0 -35.1 34.8 14.2 7.6 324 329 A A H < S+ 0 0 2 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.907 110.4 47.4 -63.8 -43.9 34.7 10.3 7.4 325 330 A I H >< S+ 0 0 4 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.935 110.9 51.3 -60.2 -47.9 31.8 10.6 5.0 326 331 A F H >< S+ 0 0 1 -4,-2.6 3,-2.2 1,-0.3 -1,-0.2 0.847 98.5 66.9 -58.2 -35.6 33.5 13.2 2.9 327 332 A S T 3< S+ 0 0 34 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.606 91.6 62.7 -64.0 -12.1 36.6 10.9 2.7 328 333 A Q T < S+ 0 0 85 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.3 0.386 97.6 72.5 -92.5 2.0 34.6 8.5 0.6 329 334 A T S X S- 0 0 23 -3,-2.2 3,-2.0 -4,-0.1 4,-0.2 -0.867 95.7 -92.8-119.9 151.0 34.2 11.1 -2.1 330 335 A A T 3 S+ 0 0 101 -2,-0.3 -2,-0.1 1,-0.3 -3,-0.0 -0.410 115.6 11.4 -62.1 130.5 36.6 12.5 -4.7 331 336 A G T 3> S+ 0 0 58 -2,-0.1 4,-1.8 -4,-0.1 -1,-0.3 0.664 88.9 139.8 73.2 17.6 38.2 15.7 -3.3 332 337 A G H <> + 0 0 4 -3,-2.0 4,-1.6 1,-0.2 -5,-0.2 0.747 62.2 57.5 -67.8 -27.4 36.7 14.8 0.1 333 338 A T H > S+ 0 0 55 2,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.899 109.3 45.4 -69.1 -41.0 39.8 15.8 2.0 334 339 A F H > S+ 0 0 113 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.835 109.4 55.6 -69.1 -34.0 39.5 19.4 0.6 335 340 A L H X S+ 0 0 10 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.870 105.7 53.1 -63.9 -35.8 35.8 19.3 1.3 336 341 A G H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.904 106.9 51.6 -62.7 -43.2 36.8 18.5 4.9 337 342 A F H X S+ 0 0 31 -4,-1.7 4,-2.5 -219,-0.2 -2,-0.2 0.907 108.7 50.6 -58.0 -44.4 39.0 21.6 4.9 338 343 A L H X S+ 0 0 19 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.886 109.7 51.2 -63.2 -39.9 36.1 23.7 3.6 339 344 A W H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.934 114.0 41.9 -61.4 -49.8 33.9 22.4 6.4 340 345 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -225,-0.2 0.824 113.0 53.8 -71.7 -29.4 36.4 23.1 9.2 341 346 A F H X S+ 0 0 60 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.914 109.2 49.3 -67.2 -43.0 37.3 26.5 7.6 342 347 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.935 111.3 49.3 -56.7 -48.9 33.6 27.4 7.7 343 348 A L H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 -2,-0.2 0.891 109.3 53.2 -59.6 -40.9 33.3 26.3 11.3 344 349 A F H X S+ 0 0 10 -4,-2.2 4,-3.6 -233,-0.2 -1,-0.2 0.933 110.5 44.1 -63.1 -48.4 36.4 28.4 12.2 345 350 A F H X S+ 0 0 29 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.885 115.1 50.9 -63.6 -38.3 35.0 31.6 10.7 346 351 A A H X S+ 0 0 0 -4,-2.4 4,-0.8 -5,-0.2 -325,-0.2 0.945 115.0 42.8 -60.7 -49.0 31.7 30.8 12.3 347 352 A G H >X S+ 0 0 0 -4,-3.4 4,-2.4 -327,-0.2 3,-0.9 0.945 112.6 53.1 -61.8 -47.3 33.5 30.3 15.6 348 353 A L H 3X S+ 0 0 2 -4,-3.6 4,-1.8 1,-0.3 5,-0.2 0.880 105.9 50.4 -60.1 -44.5 35.7 33.3 15.3 349 354 A T H 3< S+ 0 0 4 -4,-2.1 4,-0.4 1,-0.2 -1,-0.3 0.719 115.5 46.1 -69.5 -17.2 33.0 35.9 14.6 350 355 A S H S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.940 106.7 44.4 -61.2 -44.7 31.7 42.2 27.3 358 363 A M H > S+ 0 0 5 -4,-0.3 4,-2.1 -3,-0.2 -2,-0.2 0.893 115.7 49.4 -62.5 -40.0 34.7 41.8 29.5 359 364 A I H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.940 111.1 48.5 -64.3 -46.4 36.6 44.2 27.3 360 365 A A H X S+ 0 0 0 -4,-3.5 4,-3.7 1,-0.2 5,-0.3 0.883 110.6 51.4 -61.4 -41.3 33.8 46.8 27.5 361 366 A F H X>S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.2 5,-1.1 0.919 110.4 47.7 -62.7 -44.6 33.5 46.5 31.3 362 367 A L H <5S+ 0 0 11 -4,-2.1 6,-2.7 3,-0.2 4,-0.4 0.885 119.9 40.1 -64.7 -37.8 37.3 47.1 31.7 363 368 A E H <5S+ 0 0 37 -4,-2.2 4,-0.5 4,-0.3 -2,-0.2 0.944 123.2 37.8 -71.8 -52.4 37.1 50.1 29.4 364 369 A D H <5S+ 0 0 17 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.898 131.2 23.0 -69.5 -44.5 33.8 51.5 30.6 365 370 A E T <5S+ 0 0 17 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.800 132.3 32.5-102.2 -34.2 34.1 50.9 34.3 366 371 A L S - 0 0 57 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.362 32.6-110.1 -66.2 158.3 42.7 51.5 27.5 370 375 A R H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.902 119.1 55.0 -58.6 -41.0 41.4 49.1 24.8 371 376 A K H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.956 112.1 40.7 -56.6 -54.1 44.8 47.6 24.4 372 377 A H H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.881 114.9 53.0 -63.0 -39.0 45.1 46.7 28.1 373 378 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.905 111.5 44.8 -65.0 -43.3 41.5 45.6 28.3 374 379 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.915 114.9 48.2 -66.4 -43.1 41.9 43.2 25.4 375 380 A L H X S+ 0 0 78 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.904 112.7 46.2 -68.9 -42.1 45.2 41.8 26.6 376 381 A W H X S+ 0 0 158 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.887 112.8 51.6 -66.6 -38.6 44.0 41.2 30.2 377 382 A T H X S+ 0 0 2 -4,-1.8 4,-2.3 -5,-0.3 5,-0.2 0.941 110.9 47.6 -60.5 -47.6 40.8 39.6 28.9 378 383 A A H X S+ 0 0 14 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.889 110.4 53.4 -59.6 -41.1 42.8 37.3 26.6 379 384 A A H X S+ 0 0 44 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.895 109.9 46.3 -61.9 -43.4 45.1 36.4 29.5 380 385 A I H X S+ 0 0 31 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.911 116.1 45.0 -68.6 -42.5 42.2 35.4 31.8 381 386 A V H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.933 114.6 48.9 -65.2 -46.1 40.6 33.4 29.1 382 387 A F H X S+ 0 0 53 -4,-3.1 4,-0.6 -5,-0.2 -2,-0.2 0.949 114.5 44.2 -60.1 -51.0 43.9 31.8 28.1 383 388 A F H >< S+ 0 0 133 -4,-2.6 3,-1.4 1,-0.2 4,-0.3 0.953 115.1 48.2 -57.4 -51.2 44.9 30.8 31.6 384 389 A S H >X S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.3 4,-0.6 0.785 98.2 69.3 -62.6 -30.8 41.4 29.5 32.5 385 390 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.3 -1,-0.3 0.711 80.1 77.6 -64.8 -20.5 41.1 27.4 29.4 386 391 A H H S+ 0 0 34 -3,-1.8 4,-2.0 -4,-0.3 -1,-0.2 0.918 109.6 42.1 -65.9 -43.8 41.1 23.7 32.9 388 393 A V H < S+ 0 0 3 -4,-0.6 7,-0.3 -3,-0.3 -2,-0.2 0.826 114.2 53.3 -73.6 -30.3 39.0 22.8 29.9 389 394 A M H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.786 122.6 24.1 -72.3 -29.2 42.1 21.5 28.0 390 395 A F H < S+ 0 0 83 -4,-1.4 -233,-2.9 -5,-0.2 2,-0.7 0.633 105.3 73.5-118.2 -19.9 43.3 19.1 30.8 391 396 A L B >< S-A 156 0A 14 -4,-2.0 3,-2.0 -235,-0.2 4,-0.4 -0.888 81.1-123.3-106.2 114.9 40.4 18.1 32.9 392 397 A N T 3 S+ 0 0 41 -237,-2.3 -3,-0.1 -2,-0.7 -2,-0.1 -0.289 92.3 6.7 -56.9 131.3 38.0 15.6 31.3 393 398 A K T 3> S+ 0 0 117 -5,-0.2 4,-1.7 1,-0.1 -1,-0.3 0.480 90.3 116.9 75.2 3.7 34.4 16.9 31.2 394 399 A S H <> S+ 0 0 2 -3,-2.0 4,-2.3 -7,-0.2 5,-0.2 0.902 76.1 55.6 -64.2 -38.7 35.3 20.3 32.5 395 400 A L H > S+ 0 0 20 -4,-0.4 4,-2.5 -7,-0.3 5,-0.2 0.932 106.3 49.9 -56.3 -48.0 34.0 21.7 29.2 396 401 A D H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.864 109.4 51.7 -58.3 -41.2 30.7 20.0 29.7 397 402 A E H X S+ 0 0 13 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.918 112.0 44.6 -65.8 -45.0 30.4 21.5 33.2 398 403 A M H X>S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-1.0 0.915 111.6 53.2 -65.0 -43.7 31.0 25.0 32.1 399 404 A D H <5S+ 0 0 40 -4,-2.5 5,-0.3 -5,-0.2 -1,-0.2 0.814 111.2 49.1 -62.6 -30.9 28.7 24.7 29.1 400 405 A F H X>S+ 0 0 27 -4,-1.5 5,-2.6 -5,-0.2 4,-1.0 0.983 116.3 36.5 -70.2 -58.7 26.0 23.5 31.5 401 406 A W H <>S+ 0 0 74 -4,-2.2 5,-1.4 3,-0.2 -2,-0.2 0.892 135.5 18.9 -66.9 -42.8 26.2 26.2 34.2 402 407 A A T <>S+ 0 0 0 -4,-2.5 5,-1.1 -5,-0.2 -3,-0.2 0.917 130.0 40.1 -92.1 -53.6 26.9 29.2 31.9 403 408 A G T 4S+ 0 0 53 -4,-2.3 5,-2.0 1,-0.2 4,-1.6 0.919 114.5 46.0 -60.8 -44.4 12.0 41.2 34.5 417 422 A I H <>S+ 0 0 3 -4,-2.6 5,-2.7 3,-0.2 6,-0.2 0.908 120.8 37.5 -65.4 -42.8 14.3 44.1 35.2 418 423 A F H <5S+ 0 0 0 -4,-2.2 5,-0.3 -5,-0.2 9,-0.2 0.924 128.6 28.9 -77.3 -47.2 13.6 45.9 31.9 419 424 A F H <5S+ 0 0 1 -4,-3.1 5,-0.5 -5,-0.2 -3,-0.2 0.620 132.6 27.5 -94.3 -14.6 9.8 45.2 31.5 420 425 A W T <5S+ 0 0 132 -4,-1.6 4,-0.2 -5,-0.5 -3,-0.2 0.790 129.2 27.9-112.7 -51.5 8.7 44.9 35.1 421 426 A I T - 0 0 19 -5,-0.3 4,-3.1 -6,-0.2 5,-0.3 0.149 17.5-126.7 126.7 119.1 8.6 49.9 33.5 424 429 A A H > S+ 0 0 8 -5,-0.5 4,-3.1 -4,-0.2 5,-0.2 0.903 112.5 44.8 -54.1 -46.4 6.8 48.1 30.7 425 430 A D H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 114.5 48.2 -69.2 -38.1 5.7 51.3 29.0 426 431 A K H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.894 114.6 46.7 -67.1 -40.1 9.2 52.9 29.4 427 432 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 -9,-0.2 -2,-0.2 0.948 112.0 50.2 -64.6 -49.2 10.7 49.7 28.0 428 433 A W H X S+ 0 0 47 -4,-3.1 4,-2.0 -5,-0.3 -2,-0.2 0.905 112.8 46.7 -55.1 -45.0 8.2 49.6 25.1 429 434 A E H X S+ 0 0 132 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.886 111.2 51.9 -65.8 -39.4 8.9 53.2 24.3 430 435 A E H < S+ 0 0 26 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.881 109.5 49.3 -66.7 -39.8 12.7 52.6 24.5 431 436 A I H < S+ 0 0 0 -4,-2.5 -161,-0.3 1,-0.2 -160,-0.2 0.946 116.3 41.2 -62.0 -49.2 12.6 49.7 22.1 432 437 A N H >< S+ 0 0 20 -4,-2.0 3,-2.9 -5,-0.2 -2,-0.2 0.721 84.4 116.1 -76.3 -23.0 10.5 51.5 19.5 433 438 A R T 3< S+ 0 0 77 -4,-1.8 -163,-0.2 1,-0.3 3,-0.1 -0.255 92.6 2.2 -53.1 121.4 12.3 54.8 19.7 434 439 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.3 -165,-0.1 -165,-0.2 0.481 92.9 160.1 80.4 2.2 14.0 55.5 16.3 435 440 A G < - 0 0 24 -3,-2.9 -1,-0.3 1,-0.2 3,-0.1 -0.352 41.9-151.0 -61.1 129.3 12.6 52.3 14.9 436 441 A I S S+ 0 0 101 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.845 95.6 17.7 -64.7 -33.7 12.4 52.2 11.1 437 442 A I S S- 0 0 67 -5,-0.0 2,-0.3 -3,-0.0 -166,-0.2 -0.904 90.3-118.6-127.4 161.6 9.5 49.9 11.8 438 443 A K - 0 0 172 -2,-0.3 3,-0.1 -167,-0.1 -6,-0.0 -0.729 30.8-105.1 -97.5 151.1 7.5 49.5 15.0 439 444 A V - 0 0 6 -2,-0.3 5,-0.1 -11,-0.2 -7,-0.1 -0.599 49.8 -96.6 -70.4 130.5 7.2 46.3 17.0 440 445 A P > - 0 0 69 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.212 31.8-120.9 -47.8 135.0 3.8 44.7 16.4 441 446 A R T >> S+ 0 0 188 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.805 108.7 65.3 -51.3 -36.9 1.4 45.7 19.2 442 447 A I H >> S+ 0 0 112 1,-0.3 4,-1.4 2,-0.2 3,-1.0 0.827 89.3 67.4 -57.8 -32.7 0.8 42.1 20.2 443 448 A Y H <> S+ 0 0 36 -3,-1.8 4,-2.3 1,-0.3 -1,-0.3 0.619 86.2 69.6 -68.3 -11.9 4.4 41.7 21.2 444 449 A Y H <> S+ 0 0 24 -3,-1.9 4,-1.9 -4,-0.3 -1,-0.3 0.910 104.8 40.2 -68.0 -41.4 3.9 44.1 24.1 445 450 A Y H S+ 0 0 95 -3,-1.0 4,-2.0 -4,-0.5 5,-1.5 0.777 113.7 54.5 -79.8 -27.9 1.7 41.5 25.8 446 451 A V H <>S+ 0 0 12 -4,-1.4 5,-3.4 3,-0.2 -2,-0.2 0.961 112.7 43.0 -64.4 -51.6 4.1 38.7 24.8 447 452 A M H <5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.889 120.9 40.2 -61.6 -43.0 7.1 40.5 26.4 448 453 A R H <5S+ 0 0 83 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.841 137.8 3.9 -78.9 -34.5 5.2 41.5 29.5 449 454 A Y T X5S+ 0 0 118 -4,-2.0 4,-1.3 -5,-0.1 -3,-0.2 0.772 126.5 45.4-120.0 -47.2 3.2 38.3 30.2 450 455 A I H > S+ 0 0 5 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.916 116.2 46.3 -59.6 -42.5 8.4 35.6 31.3 453 458 A A H X S+ 0 0 52 -4,-1.3 4,-2.3 2,-0.2 5,-0.3 0.874 111.2 52.7 -67.8 -38.8 5.7 33.0 32.1 454 459 A F H X S+ 0 0 51 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.942 114.8 41.4 -58.2 -50.5 7.0 30.7 29.4 455 460 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.886 112.7 53.7 -67.1 -42.0 10.5 30.8 30.7 456 461 A A H X S+ 0 0 40 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.929 112.2 43.5 -61.0 -47.6 9.5 30.6 34.4 457 462 A V H X S+ 0 0 93 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.928 113.6 53.0 -62.2 -45.3 7.5 27.4 33.8 458 463 A L H X S+ 0 0 15 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.921 110.6 46.3 -54.5 -49.6 10.3 26.0 31.6 459 464 A L H X S+ 0 0 32 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.867 112.6 49.8 -64.6 -39.5 12.9 26.6 34.3 460 465 A V H X S+ 0 0 66 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.935 113.5 44.6 -65.8 -47.5 10.7 25.1 37.1 461 466 A V H X S+ 0 0 48 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.887 114.7 50.7 -62.4 -41.2 10.0 21.9 35.1 462 467 A W H X>S+ 0 0 19 -4,-2.4 5,-1.3 -5,-0.3 4,-1.2 0.938 113.6 45.1 -57.3 -49.9 13.6 21.8 34.2 463 468 A A H <5S+ 0 0 39 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 113.3 48.9 -67.5 -37.9 14.6 22.1 37.8 464 469 A R H <5S+ 0 0 172 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.907 124.7 22.2 -70.7 -41.9 12.1 19.6 39.2 465 470 A E H <5S+ 0 0 116 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.325 130.5 28.6-116.5 6.7 12.7 16.7 36.9 466 471 A Y T X5S+ 0 0 76 -4,-1.2 4,-0.8 -5,-0.1 3,-0.4 0.634 104.2 59.9-133.8 -45.5 16.2 17.1 35.4 467 472 A I H >> S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.884 98.7 56.7 -60.2 -38.6 18.7 16.7 40.7 469 474 A K H 3> S+ 0 0 127 -3,-0.4 4,-3.1 1,-0.2 -2,-0.2 0.899 107.5 50.2 -53.7 -42.9 20.1 13.8 38.8 470 475 A I H << S+ 0 0 57 -4,-0.8 -1,-0.2 -3,-0.6 4,-0.1 0.898 110.1 47.2 -67.5 -43.2 23.1 15.9 37.7 471 476 A M H < S+ 0 0 93 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.872 123.6 34.0 -65.2 -37.0 24.0 17.2 41.2 472 477 A E H < S+ 0 0 160 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.829 116.8 51.2 -88.4 -34.1 23.8 13.7 42.7 473 478 A E S < S+ 0 0 152 -4,-3.1 2,-0.3 -5,-0.3 -1,-0.2 -0.089 85.7 106.3-103.6 35.1 25.0 11.5 39.8 474 479 A T S S- 0 0 54 -3,-0.3 2,-0.1 -4,-0.1 -4,-0.0 -0.818 72.9-100.7-115.5 155.8 28.3 13.1 38.8 475 480 A H > - 0 0 104 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.372 38.6-113.5 -64.7 147.8 32.0 12.3 39.3 476 481 A W T > S+ 0 0 171 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.729 108.9 75.2 -59.6 -23.6 33.7 14.3 42.1 477 482 A T T >> S+ 0 0 12 1,-0.3 3,-1.2 2,-0.2 4,-0.9 0.647 74.4 78.4 -67.0 -14.7 35.9 16.2 39.6 478 483 A V H <> S+ 0 0 16 -3,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.819 85.3 64.6 -60.4 -28.2 32.9 18.3 38.6 479 484 A W H <> S+ 0 0 143 -3,-1.7 4,-2.6 -4,-0.2 -1,-0.2 0.726 91.3 62.4 -68.9 -22.9 33.6 20.2 41.8 480 485 A I H <> S+ 0 0 62 -3,-1.2 4,-2.1 -4,-0.3 -1,-0.2 0.947 110.0 39.0 -64.8 -47.6 36.9 21.4 40.5 481 486 A T H X S+ 0 0 1 -4,-0.9 4,-2.6 2,-0.2 5,-0.3 0.905 116.2 51.6 -69.6 -41.3 35.2 23.3 37.7 482 487 A R H X S+ 0 0 10 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.945 110.4 49.2 -59.4 -48.5 32.4 24.4 39.9 483 488 A F H X S+ 0 0 161 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.930 112.9 47.8 -54.5 -49.4 34.9 25.7 42.5 484 489 A Y H X S+ 0 0 59 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.919 112.9 44.9 -63.8 -45.6 36.9 27.6 39.8 485 490 A I H X S+ 0 0 4 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.797 110.6 55.0 -74.5 -24.6 33.9 29.3 38.0 486 491 A I H X S+ 0 0 99 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.908 107.5 51.2 -66.9 -40.9 32.5 30.3 41.4 487 492 A G H X S+ 0 0 34 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.889 105.6 55.5 -59.3 -40.9 35.8 31.9 42.1 488 493 A L H X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.884 106.4 50.6 -58.7 -39.4 35.5 33.7 38.7 489 494 A F H X S+ 0 0 41 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.912 110.7 48.5 -65.2 -40.8 32.1 35.1 39.9 490 495 A L H X S+ 0 0 113 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.891 110.4 52.4 -65.0 -41.4 33.7 36.3 43.1 491 496 A F H X S+ 0 0 79 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.922 111.6 45.2 -57.7 -48.2 36.6 37.9 41.1 492 497 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.851 109.8 55.1 -68.5 -35.3 34.1 39.7 38.8 493 498 A T H X S+ 0 0 46 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.888 107.3 51.1 -61.6 -39.6 32.1 40.8 41.8 494 499 A F H X S+ 0 0 114 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.882 108.1 51.9 -64.7 -38.2 35.3 42.3 43.3 495 500 A L H X S+ 0 0 20 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.877 108.3 50.5 -65.8 -38.5 35.9 44.2 40.1 496 501 A V H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.903 109.9 51.4 -65.1 -40.6 32.4 45.6 40.1 497 502 A F H X S+ 0 0 83 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.917 110.0 48.9 -59.4 -45.1 33.1 46.7 43.7 498 503 A L H X S+ 0 0 66 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.849 107.6 55.6 -64.9 -34.8 36.3 48.4 42.6 499 504 A A H X S+ 0 0 10 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.877 106.7 50.3 -65.4 -38.6 34.5 50.1 39.8 500 505 A E H X S+ 0 0 24 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.913 110.3 49.6 -63.6 -43.7 32.0 51.6 42.3 501 506 A R H X S+ 0 0 99 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.859 110.0 50.2 -66.5 -35.9 34.9 52.9 44.5 502 507 A R H X S+ 0 0 56 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.880 111.7 49.1 -67.9 -38.2 36.6 54.5 41.5 503 508 A R H X S+ 0 0 114 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.912 110.7 49.6 -66.5 -44.8 33.4 56.2 40.5 504 509 A N H X S+ 0 0 87 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.926 113.3 45.3 -60.5 -47.0 32.8 57.5 44.0 505 510 A H H X S+ 0 0 147 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.826 112.9 53.2 -65.0 -32.2 36.3 58.9 44.3 506 511 A E H >X S+ 0 0 97 -4,-1.7 4,-1.6 2,-0.2 3,-0.9 0.925 108.6 47.2 -69.4 -46.3 35.9 60.3 40.8 507 512 A S H 3< S+ 0 0 68 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.845 105.6 60.1 -64.8 -34.4 32.7 62.2 41.6 508 513 A A H 3< S+ 0 0 91 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.737 109.0 45.2 -65.6 -21.6 34.2 63.5 44.8 509 514 A G H << 0 0 68 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.778 360.0 360.0 -91.0 -31.6 36.8 65.2 42.7 510 515 A T < 0 0 147 -4,-1.6 -2,-0.2 0, 0.0 -3,-0.2 0.878 360.0 360.0 -86.1 360.0 34.5 66.6 40.0 511 ! 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 X 0 0 0 0, 0.0 -490,-2.4 0, 0.0 -491,-0.5 0.000 360.0 360.0 360.0 360.0 26.7 31.6 19.2