==== 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 01-APR-09 3GWV . COMPND 2 MOLECULE: TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR Z.ZHOU,J.ZHEN,N.K.KARPOWICH,C.J.LAW,M.E.A.REITH,D.N.WANG . 499 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 80.4 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 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 5.6 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 1 4 1 1 0 1 2 1 1 3 1 1 0 0 1 0 0 1 0 0 1 0 1 1 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 98 0, 0.0 262,-0.0 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 135.0 31.4 56.5 22.5 2 6 A E - 0 0 57 1,-0.0 2,-0.3 262,-0.0 179,-0.0 -0.234 360.0-169.0 -51.0 146.7 32.3 54.3 19.6 3 7 A H - 0 0 46 262,-0.0 2,-0.3 261,-0.0 180,-0.2 -0.960 30.2 -94.9-140.3 156.2 29.4 53.7 17.1 4 8 A W - 0 0 7 259,-1.7 261,-0.2 -2,-0.3 179,-0.1 -0.593 31.7-149.0 -67.9 131.1 28.7 51.5 14.2 5 9 A A S S+ 0 0 77 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.972 73.3 29.2 -66.3 -56.7 29.5 53.4 11.0 6 10 A T > - 0 0 59 1,-0.1 4,-1.5 177,-0.1 5,-0.1 -0.789 68.1-131.2-115.1 149.3 26.9 51.9 8.6 7 11 A R H > S+ 0 0 77 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.884 111.8 51.1 -56.7 -42.8 23.4 50.4 9.0 8 12 A L H > S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 107.6 50.7 -64.1 -45.1 24.5 47.4 6.9 9 13 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.777 109.8 52.2 -65.1 -29.8 27.6 46.7 9.0 10 14 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.919 109.9 47.6 -67.7 -48.1 25.5 46.9 12.1 11 15 A I H X S+ 0 0 17 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.920 116.3 44.2 -58.6 -47.2 23.0 44.3 10.7 12 16 A L H X S+ 0 0 29 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.805 111.6 51.9 -71.4 -35.0 25.9 42.0 9.7 13 17 A A H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.923 115.6 42.7 -64.4 -45.1 27.8 42.4 13.0 14 18 A M H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.879 114.4 49.7 -66.3 -42.5 24.6 41.5 14.8 15 19 A A H X S+ 0 0 0 -4,-2.7 4,-3.9 -5,-0.2 -2,-0.2 0.899 111.8 50.0 -61.0 -42.0 23.8 38.7 12.4 16 20 A G H < S+ 0 0 1 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.844 106.3 55.6 -63.1 -38.6 27.4 37.5 12.9 17 21 A N H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.958 119.5 32.4 -52.9 -53.6 26.8 37.6 16.7 18 22 A A H < S+ 0 0 2 -4,-2.3 2,-1.0 232,-0.1 -2,-0.2 0.899 104.9 75.0 -76.0 -45.3 23.8 35.3 16.3 19 23 A V S < S+ 0 0 4 -4,-3.9 2,-0.2 -5,-0.2 330,-0.1 -0.596 74.9 105.8 -78.3 103.5 24.9 33.1 13.3 20 24 A G S >> S- 0 0 0 -2,-1.0 3,-1.4 229,-0.1 4,-0.9 -0.585 83.8 -36.4-148.3-153.4 27.5 30.7 14.7 21 25 A L H 3>>S+ 0 0 8 481,-0.3 4,-2.6 1,-0.3 5,-1.1 0.784 122.8 68.4 -52.8 -30.2 28.4 27.2 15.9 22 26 A G H 34>S+ 0 0 0 480,-2.7 5,-3.0 1,-0.2 -1,-0.3 0.840 98.5 49.1 -59.4 -37.2 24.8 27.0 17.2 23 27 A N H <45S+ 0 0 0 -3,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.837 122.9 28.4 -70.0 -38.4 23.3 27.0 13.7 24 28 A F H <5S+ 0 0 0 -4,-0.9 -2,-0.2 -3,-0.1 269,-0.2 0.684 135.5 21.9-103.8 -21.4 25.5 24.3 12.2 25 29 A L T X5S+ 0 0 12 -4,-2.6 4,-0.9 -5,-0.2 -3,-0.2 0.785 126.0 36.5-111.7 -49.5 26.4 22.1 15.2 26 30 A R H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.913 113.8 47.7 -60.4 -41.6 20.8 19.8 13.9 29 33 A V H X S+ 0 0 4 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.896 114.2 47.5 -63.1 -41.5 21.6 17.7 17.0 30 34 A Q H X S+ 0 0 37 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.876 114.4 46.2 -65.4 -42.6 18.7 19.3 18.9 31 35 A A H <>S+ 0 0 0 -4,-2.9 5,-2.5 -5,-0.2 8,-0.2 0.875 112.8 49.1 -69.5 -38.4 16.3 18.8 16.0 32 36 A A H ><5S+ 0 0 2 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.816 109.9 50.8 -73.0 -32.7 17.3 15.1 15.4 33 37 A E H 3<5S+ 0 0 54 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.730 110.0 52.2 -72.2 -26.3 17.0 14.1 19.1 34 38 A N T 3<5S- 0 0 22 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.1 -0.230 128.0 -82.4-114.1 40.3 13.5 15.6 19.4 35 39 A G T X 5 - 0 0 28 -3,-0.7 3,-1.3 3,-0.2 2,-1.2 0.602 53.4-113.5 78.7 15.5 11.7 14.0 16.4 36 40 A G T >> S+ 0 0 2 187,-1.3 4,-0.8 -2,-1.2 -1,-0.3 0.664 114.7 66.8 -75.1 -19.1 9.5 18.1 12.7 38 42 A A H <4 S+ 0 0 0 -3,-1.3 -1,-0.2 190,-0.2 -3,-0.2 0.730 102.6 49.0 -68.1 -24.9 8.1 17.5 16.2 39 43 A F H <> S+ 0 0 0 -3,-0.8 4,-1.6 -8,-0.2 -2,-0.2 0.744 100.4 67.0 -82.0 -28.9 10.8 19.9 17.4 40 44 A M H X S+ 0 0 5 -4,-0.7 4,-1.9 185,-0.2 -2,-0.2 0.783 92.2 55.9 -72.8 -31.8 10.0 22.5 14.8 41 45 A I H X S+ 0 0 53 -4,-0.8 4,-2.3 2,-0.2 5,-0.2 0.964 113.1 40.2 -66.9 -52.8 6.5 23.6 16.0 42 46 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.845 114.1 57.5 -60.6 -32.6 7.7 24.5 19.5 43 47 A Y H X S+ 0 0 3 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.861 108.9 43.6 -64.6 -40.9 10.8 26.0 17.9 44 48 A I H X S+ 0 0 75 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.905 114.8 48.6 -70.4 -46.0 8.7 28.4 15.8 45 49 A I H X S+ 0 0 56 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.889 111.4 51.0 -61.5 -40.6 6.3 29.3 18.6 46 50 A A H X>S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-2.4 0.904 108.4 52.4 -62.8 -42.1 9.4 30.0 20.9 47 51 A F H <>S+ 0 0 33 -4,-1.7 5,-2.6 3,-0.2 -2,-0.2 0.883 115.9 40.0 -59.8 -39.5 10.8 32.2 18.1 48 52 A L H <5S+ 0 0 81 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.832 126.3 32.9 -80.0 -35.0 7.5 34.2 18.0 49 53 A L H <5S+ 0 0 49 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.667 139.7 10.3 -99.8 -19.3 6.8 34.4 21.7 50 54 A V T X5S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 5,-0.3 0.682 122.5 52.7-121.8 -53.7 10.4 34.4 23.1 51 55 A G H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.877 113.9 47.7 -56.0 -43.0 10.3 40.1 21.9 54 58 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.801 108.2 55.4 -70.1 -32.4 13.6 39.5 23.9 55 59 A M H X S+ 0 0 3 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.927 110.1 46.3 -60.7 -46.2 15.7 40.5 20.9 56 60 A W H X S+ 0 0 6 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.894 112.6 50.7 -65.0 -39.6 13.8 43.8 20.8 57 61 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.924 111.0 47.9 -61.1 -45.9 14.2 44.2 24.6 58 62 A E H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.839 111.3 49.3 -69.6 -36.3 18.0 43.6 24.4 59 63 A W H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.918 113.9 48.3 -61.2 -45.9 18.5 46.1 21.5 60 64 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.931 111.6 47.1 -61.7 -50.6 16.4 48.7 23.5 61 65 A M H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.888 114.4 49.9 -58.1 -40.8 18.3 48.2 26.8 62 66 A G H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.953 111.6 44.1 -64.8 -55.1 21.6 48.4 24.9 63 67 A R H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.898 114.3 53.0 -56.8 -42.0 20.9 51.6 23.0 64 68 A Y H X S+ 0 0 41 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.928 112.7 43.1 -57.1 -51.0 19.5 53.1 26.2 65 69 A G H ><>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-1.5 0.941 110.9 54.3 -60.8 -51.6 22.6 52.3 28.2 66 70 A G H ><5S+ 0 0 7 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.792 99.6 61.2 -55.9 -34.3 25.0 53.4 25.5 67 71 A A H 3<5S+ 0 0 53 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.771 109.9 42.8 -64.3 -27.0 23.4 56.8 25.2 68 72 A Q T <<5S- 0 0 88 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.201 128.5 -99.6-101.5 12.0 24.4 57.3 28.9 69 73 A G T < 5S+ 0 0 33 -3,-1.4 2,-0.4 1,-0.2 -3,-0.3 0.673 85.7 116.5 82.4 20.8 27.9 55.8 28.3 70 74 A H < + 0 0 47 -5,-2.2 -2,-0.2 -8,-0.1 -1,-0.2 -0.972 32.1 174.8-128.4 123.3 27.2 52.2 29.6 71 75 A G + 0 0 0 -2,-0.4 2,-0.3 289,-0.3 191,-0.2 0.509 60.2 66.3-100.9 -7.1 27.4 49.0 27.5 72 76 A T S >> S- 0 0 2 288,-0.2 4,-2.2 -7,-0.1 3,-0.6 -0.806 79.7-114.0-124.4 162.3 26.9 46.3 30.2 73 77 A T H 3> S+ 0 0 1 -2,-0.3 4,-2.0 17,-0.2 5,-0.3 0.685 102.7 68.3 -70.8 -26.5 24.2 45.1 32.5 74 78 A P H 3> S+ 0 0 4 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.959 117.9 28.5 -55.6 -42.7 25.7 45.9 36.0 75 79 A A H <> S+ 0 0 14 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.875 119.9 53.2 -81.3 -43.9 25.2 49.6 35.1 76 80 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.906 108.0 51.3 -62.2 -43.9 22.2 49.3 32.7 77 81 A F H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.839 109.6 52.4 -57.4 -35.6 20.2 47.4 35.2 78 82 A Y H < S+ 0 0 37 -4,-0.6 -2,-0.2 -5,-0.3 -1,-0.2 0.815 106.5 51.9 -72.3 -33.3 21.0 50.1 37.7 79 83 A L H < S+ 0 0 17 -4,-1.7 3,-0.2 1,-0.2 -2,-0.2 0.867 115.7 41.4 -67.3 -38.2 19.8 52.8 35.3 80 84 A L H < S+ 0 0 9 -4,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.669 132.8 21.8 -82.9 -21.7 16.5 51.0 34.9 81 85 A W S < S- 0 0 69 -4,-1.3 2,-2.5 -5,-0.2 -1,-0.3 -0.806 74.6-145.9-152.6 101.2 16.2 50.1 38.6 82 86 A R + 0 0 147 -2,-0.3 2,-0.3 -3,-0.2 -4,-0.1 -0.411 59.9 117.2 -74.4 72.5 18.2 52.3 41.1 83 87 A N S >> S- 0 0 61 -2,-2.5 4,-0.8 -6,-0.1 3,-0.5 -0.978 70.8-129.5-142.6 145.3 18.9 49.4 43.5 84 88 A R H 3> S+ 0 0 116 -2,-0.3 4,-1.1 1,-0.2 3,-0.4 0.812 110.3 59.8 -65.9 -31.3 22.1 47.7 44.7 85 89 A F H 3> S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.792 95.7 63.1 -68.1 -28.0 20.5 44.3 43.9 86 90 A A H <> S+ 0 0 0 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.855 101.4 50.7 -62.0 -38.6 20.3 45.5 40.2 87 91 A K H < S+ 0 0 21 -4,-0.8 4,-0.4 -3,-0.4 -1,-0.2 0.859 111.6 47.5 -65.9 -37.7 24.1 45.7 40.0 88 92 A I H >< S+ 0 0 70 -4,-1.1 3,-1.1 2,-0.2 4,-0.4 0.916 112.7 47.1 -72.4 -45.7 24.5 42.2 41.4 89 93 A L H >< S+ 0 0 25 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.830 107.3 60.3 -61.8 -33.4 21.9 40.7 39.1 90 94 A G T >< S+ 0 0 0 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.622 85.3 76.5 -68.7 -16.9 23.7 42.6 36.3 91 95 A V T X> S+ 0 0 0 -3,-1.1 4,-2.4 -4,-0.4 3,-2.0 0.813 82.3 68.2 -64.6 -30.3 26.9 40.7 37.0 92 96 A F H <> S+ 0 0 48 -3,-1.0 4,-3.0 -4,-0.4 -1,-0.2 0.790 89.5 63.4 -58.4 -29.7 25.4 37.7 35.2 93 97 A G H <4 S+ 0 0 1 -3,-1.0 -1,-0.3 -4,-0.3 -20,-0.2 0.392 112.5 35.6 -78.9 1.8 25.6 39.7 31.9 94 98 A L H <> S+ 0 0 0 -3,-2.0 4,-1.0 -22,-0.1 -2,-0.2 0.560 120.0 49.6-110.6 -34.3 29.4 39.7 32.3 95 99 A W H X S+ 0 0 20 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.951 107.8 50.9 -69.8 -53.8 29.5 36.2 33.8 96 100 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.938 113.9 41.6 -54.9 -57.0 27.4 34.3 31.3 97 101 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.815 116.5 51.6 -61.5 -29.9 29.3 35.6 28.1 98 102 A L H X S+ 0 0 1 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.951 112.7 42.5 -71.7 -50.4 32.6 35.1 29.8 99 103 A V H X S+ 0 0 0 -4,-2.9 4,-1.3 2,-0.2 5,-0.2 0.914 116.2 49.9 -59.1 -45.7 32.0 31.5 30.9 100 104 A V H X S+ 0 0 0 -4,-2.7 4,-3.6 -5,-0.3 3,-0.5 0.928 108.8 53.0 -58.6 -44.9 30.5 30.8 27.5 101 105 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 253,-0.3 5,-0.4 0.883 99.8 63.3 -54.7 -45.3 33.6 32.4 25.9 102 106 A I H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.884 119.7 22.4 -51.2 -43.7 35.9 30.1 27.9 103 107 A Y H X S+ 0 0 4 -4,-1.3 4,-2.1 -3,-0.5 -2,-0.2 0.849 119.4 59.3 -94.3 -35.3 34.4 27.0 26.2 104 108 A Y H X S+ 0 0 3 -4,-3.6 4,-2.2 1,-0.2 -3,-0.2 0.872 104.1 51.3 -59.4 -42.5 33.0 28.4 23.0 105 109 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.820 108.1 53.6 -66.8 -31.2 36.4 29.7 21.8 106 110 A Y H > S+ 0 0 4 -4,-0.4 4,-1.5 -5,-0.4 -2,-0.2 0.948 109.5 46.1 -68.5 -49.3 38.0 26.3 22.5 107 111 A I H X S+ 0 0 11 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.890 111.5 54.0 -57.1 -40.0 35.4 24.6 20.3 108 112 A E H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-0.3 0.909 103.8 56.0 -58.4 -43.1 36.0 27.3 17.7 109 113 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.839 100.7 58.2 -60.9 -33.5 39.7 26.5 17.9 110 114 A W H X S+ 0 0 10 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.917 103.7 51.9 -60.9 -43.9 38.9 22.8 16.9 111 115 A T H X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.2 0.873 110.0 48.4 -62.9 -41.3 37.3 24.0 13.7 112 116 A L H X S+ 0 0 20 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.946 113.2 48.3 -57.5 -51.6 40.4 26.0 12.7 113 117 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.872 113.4 46.3 -59.0 -42.1 42.6 23.0 13.6 114 118 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.849 111.1 53.7 -67.9 -36.0 40.4 20.7 11.5 115 119 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.952 110.0 46.8 -61.8 -50.9 40.4 23.2 8.7 116 120 A I H X S+ 0 0 65 -4,-2.7 4,-2.3 1,-0.2 6,-0.2 0.934 116.3 43.7 -54.1 -52.0 44.2 23.4 8.6 117 121 A K H X>S+ 0 0 46 -4,-2.1 5,-2.2 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0.921 112.5 48.2 -68.6 -48.4 14.9 21.9 24.1 242 247 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.924 112.7 47.4 -58.6 -47.9 13.4 24.3 21.5 243 248 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.881 111.3 51.6 -65.2 -39.8 13.4 27.3 23.9 244 249 A G H X S+ 0 0 6 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.891 110.6 48.6 -61.2 -43.0 17.0 26.6 24.9 245 250 A Q H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.920 108.7 53.6 -64.0 -44.3 18.0 26.5 21.2 246 251 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 6,-0.3 0.915 112.3 44.9 -54.8 -48.5 16.2 29.8 20.5 247 252 A F H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.5 0.958 117.2 43.2 -58.3 -55.2 18.1 31.5 23.4 248 253 A F H ><5S+ 0 0 10 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.925 115.2 49.2 -62.1 -45.3 21.4 30.1 22.4 249 254 A T H 3<5S+ 0 0 0 -4,-3.4 -1,-0.2 253,-0.3 -2,-0.2 0.836 115.5 40.6 -67.4 -35.7 21.0 30.7 18.7 250 255 A L T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.378 110.0-119.9 -91.4 5.6 19.9 34.3 18.9 251 256 A S T X 5 + 0 0 0 -3,-0.9 3,-0.8 -4,-0.5 6,-0.7 0.843 55.5 164.8 55.5 37.9 22.4 35.0 21.6 252 257 A L T 3 < + 0 0 0 -5,-2.4 -1,-0.2 -6,-0.3 159,-0.2 -0.677 58.6 19.0 -86.7 139.0 19.6 36.0 24.0 253 258 A G T 3 S+ 0 0 0 -2,-0.3 -1,-0.2 157,-0.2 157,-0.2 0.583 98.4 98.6 79.7 12.7 20.3 36.2 27.7 254 259 A F S < S- 0 0 0 -3,-0.8 -2,-0.1 -7,-0.1 -154,-0.1 0.377 89.0-125.3-105.0 -2.7 24.1 36.5 27.1 255 260 A G S > S+ 0 0 1 -4,-0.1 4,-1.1 152,-0.1 -3,-0.1 0.666 85.7 109.7 61.5 16.1 24.4 40.3 27.4 256 261 A A H > S+ 0 0 0 -5,-0.5 4,-1.8 2,-0.2 5,-0.1 0.850 74.6 44.4 -90.1 -41.8 26.0 40.1 23.9 257 262 A I H > S+ 0 0 1 -6,-0.7 4,-2.0 2,-0.2 5,-0.1 0.857 112.8 54.4 -65.5 -40.7 23.1 41.7 22.0 258 263 A I H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.950 109.9 46.0 -57.7 -51.1 22.8 44.4 24.7 259 264 A T H >< S+ 0 0 1 -4,-1.1 3,-0.6 1,-0.2 -2,-0.2 0.891 112.6 47.8 -63.8 -47.2 26.4 45.4 24.4 260 265 A Y H >< S+ 0 0 1 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.862 110.5 55.2 -57.9 -38.1 26.6 45.5 20.6 261 266 A A H >< S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.720 90.6 73.1 -70.1 -21.5 23.4 47.6 20.7 262 267 A S T << S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.437 92.0 58.2 -75.2 2.3 25.0 50.1 23.0 263 268 A Y T < S+ 0 0 4 -3,-1.2 -259,-1.7 2,-0.1 2,-0.5 0.259 82.1 103.1-111.3 4.8 27.0 51.3 20.0 264 269 A V S < S- 0 0 2 -3,-1.8 -197,-0.1 -261,-0.2 -198,-0.1 -0.787 86.2-106.8 -82.2 129.9 23.8 52.1 18.1 265 270 A R > - 0 0 128 -2,-0.5 3,-1.4 -261,-0.2 -2,-0.1 -0.333 28.3-112.0 -61.4 139.3 23.1 55.9 18.2 266 271 A K T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -203,-0.1 -199,-0.1 0.676 116.7 42.9 -46.5 -27.0 20.3 57.0 20.5 267 272 A D T 3 S+ 0 0 108 2,-0.1 -1,-0.3 167,-0.0 -2,-0.0 0.753 90.6 107.0 -89.5 -30.7 18.2 58.0 17.5 268 273 A Q S < S- 0 0 36 -3,-1.4 167,-0.1 1,-0.1 -4,-0.1 -0.144 77.5 -96.5 -65.0 144.6 18.8 55.0 15.2 269 274 A D + 0 0 6 165,-0.2 166,-0.2 1,-0.1 -1,-0.1 -0.263 40.3 167.0 -56.7 137.3 16.3 52.3 14.4 270 275 A I > + 0 0 0 161,-0.3 4,-1.3 163,-0.2 5,-0.1 0.411 67.4 70.6-124.9 -11.4 16.5 49.1 16.4 271 276 A V H > S+ 0 0 0 2,-0.2 4,-2.1 166,-0.2 5,-0.1 0.976 108.8 28.7 -72.0 -58.1 13.1 47.6 15.4 272 277 A L H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.935 123.0 51.6 -70.7 -47.1 13.7 46.7 11.8 273 278 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.891 112.1 47.5 -51.7 -46.8 17.4 46.1 12.3 274 279 A G H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.914 113.1 47.3 -63.4 -46.1 16.7 43.8 15.3 275 280 A L H X S+ 0 0 51 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.799 113.1 49.4 -65.0 -33.2 14.0 41.9 13.3 276 281 A T H X S+ 0 0 51 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.901 110.4 48.4 -75.4 -44.5 16.3 41.5 10.3 277 282 A A H X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.903 114.5 47.7 -60.5 -40.3 19.3 40.3 12.3 278 283 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.836 113.4 47.6 -68.4 -35.2 17.0 37.8 14.0 279 284 A T H X S+ 0 0 52 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.878 107.8 54.3 -76.2 -39.7 15.6 36.7 10.6 280 285 A L H X S+ 0 0 57 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.905 109.3 50.4 -55.3 -44.5 19.0 36.3 9.0 281 286 A N H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.922 108.3 50.9 -58.2 -48.7 19.9 34.0 11.9 282 287 A E H X>S+ 0 0 17 -4,-1.6 4,-2.9 2,-0.2 5,-0.5 0.857 110.0 50.2 -62.1 -38.4 16.8 31.8 11.5 283 288 A K H X>S+ 0 0 113 -4,-2.1 4,-1.9 1,-0.2 5,-1.8 0.953 111.2 48.4 -58.4 -52.7 17.5 31.4 7.7 284 289 A A H <>S+ 0 0 8 -4,-2.3 5,-1.9 3,-0.2 -2,-0.2 0.725 119.2 41.9 -63.2 -21.5 21.1 30.4 8.4 285 290 A E H <>S+ 0 0 0 -4,-1.4 5,-2.0 3,-0.2 -2,-0.2 0.936 124.2 27.6 -89.0 -60.1 19.7 27.9 11.0 286 291 A V H <5S+ 0 0 22 -4,-2.9 -3,-0.2 3,-0.2 -2,-0.1 0.825 134.2 30.5 -77.9 -32.1 16.6 26.3 9.6 287 292 A I T <> S+ 0 0 1 -5,-0.3 4,-3.1 -4,-0.3 5,-0.2 0.947 114.5 47.9 -62.4 -55.1 21.0 15.8 8.9 295 300 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -74,-0.2 0.859 114.7 48.4 -57.8 -35.2 20.2 15.2 5.2 296 301 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.886 113.7 46.5 -67.6 -42.3 23.8 14.0 4.6 297 302 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.4 0.891 114.1 48.1 -65.0 -43.5 23.6 11.7 7.7 298 303 A V H X S+ 0 0 1 -4,-3.1 4,-2.6 3,-0.2 -2,-0.2 0.908 108.4 54.6 -65.0 -44.7 20.2 10.4 6.6 299 304 A A H < S+ 0 0 0 -4,-2.4 -83,-0.4 -5,-0.2 -86,-0.3 0.932 118.0 34.0 -53.1 -50.4 21.3 9.8 3.0 300 305 A F H < S+ 0 0 42 -4,-1.8 -1,-0.2 -85,-0.2 -2,-0.2 0.790 137.2 17.5 -80.1 -30.3 24.2 7.6 4.0 301 306 A F H < S- 0 0 28 -4,-2.2 4,-0.4 -5,-0.2 -3,-0.2 0.539 101.0-118.0-120.9 -14.3 22.8 5.9 7.1 302 307 A G X - 0 0 14 -4,-2.6 4,-1.8 -5,-0.4 3,-0.2 -0.101 42.1 -68.1 84.9 167.4 19.0 6.3 7.0 303 308 A V H > S+ 0 0 58 1,-0.2 4,-2.3 -88,-0.2 5,-0.2 0.923 127.5 47.8 -61.4 -52.4 16.8 8.1 9.5 304 309 A A H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.783 113.7 48.0 -66.1 -30.5 17.1 5.8 12.6 305 310 A N H > S+ 0 0 93 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.861 110.1 52.2 -74.8 -38.0 20.9 5.6 12.4 306 311 A A H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.883 109.5 49.4 -64.5 -41.5 21.2 9.4 12.0 307 312 A V H X S+ 0 0 32 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.937 110.8 50.4 -60.8 -47.7 19.1 10.0 15.1 308 313 A A H X S+ 0 0 58 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.839 109.9 50.4 -60.3 -38.2 21.2 7.5 17.0 309 314 A I H >X S+ 0 0 25 -4,-2.0 4,-0.8 1,-0.2 3,-0.6 0.912 108.3 52.1 -64.5 -44.2 24.4 9.3 15.9 310 315 A A H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.724 111.6 48.1 -65.3 -23.6 22.9 12.7 17.0 311 316 A K H 3< S+ 0 0 117 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.650 94.2 74.9 -88.2 -20.3 22.2 11.2 20.4 312 317 A A H << S- 0 0 69 -4,-0.9 2,-0.3 -3,-0.6 -2,-0.2 0.856 118.6 -43.3 -62.0 -37.3 25.7 9.6 20.8 313 318 A G < - 0 0 25 -4,-0.8 4,-0.2 1,-0.0 -1,-0.2 -0.927 52.2-101.4-170.8-170.1 27.2 13.1 21.5 314 319 A A S S+ 0 0 51 -2,-0.3 4,-0.3 2,-0.1 -285,-0.1 0.611 117.5 39.8-104.3 -19.1 27.1 16.7 20.4 315 320 A F S > S+ 0 0 54 2,-0.1 4,-1.8 1,-0.1 5,-0.4 0.339 92.8 86.6-111.1 0.9 30.3 16.8 18.4 316 321 A N H >>S+ 0 0 25 -7,-0.2 5,-3.2 3,-0.2 4,-1.1 0.918 91.3 45.6 -65.8 -46.4 29.9 13.3 16.8 317 322 A L H 4>S+ 0 0 4 -4,-0.2 5,-2.6 3,-0.2 -1,-0.2 0.918 121.3 34.6 -64.1 -46.8 27.8 14.6 13.9 318 323 A G H 45S+ 0 0 2 -4,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.750 128.2 29.5 -86.5 -29.1 30.0 17.6 13.0 319 324 A F H <5S+ 0 0 0 -4,-1.8 -3,-0.2 3,-0.1 -2,-0.1 0.541 135.0 18.9-109.5 -13.7 33.5 16.5 13.7 320 325 A I T X5S+ 0 0 3 -4,-1.1 4,-1.5 -5,-0.4 -3,-0.2 0.705 123.9 39.1-119.3 -63.0 33.3 12.8 13.0 321 326 A T H > S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.834 112.8 54.1 -63.6 -27.4 33.8 14.5 7.5 324 329 A A H < S+ 0 0 1 -4,-1.5 4,-0.3 2,-0.2 -2,-0.2 0.933 110.3 45.7 -64.8 -50.0 33.6 10.6 7.3 325 330 A I H >< S+ 0 0 3 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.942 112.1 52.3 -53.5 -52.5 30.7 10.9 4.9 326 331 A F H >< S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.3 -1,-0.2 0.837 98.6 64.4 -55.8 -37.9 32.5 13.5 2.8 327 332 A S T 3< S+ 0 0 36 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.583 93.1 63.6 -65.5 -10.2 35.6 11.3 2.6 328 333 A Q T < S+ 0 0 82 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.3 0.373 96.6 71.9 -91.9 0.8 33.6 8.8 0.5 329 334 A T S X S- 0 0 20 -3,-2.1 3,-1.9 -4,-0.1 4,-0.2 -0.923 97.4 -95.3-119.7 143.3 33.1 11.4 -2.2 330 335 A A T 3 S+ 0 0 103 -2,-0.4 -2,-0.1 1,-0.3 -3,-0.0 -0.331 115.5 17.3 -55.6 130.2 35.6 12.8 -4.8 331 336 A G T 3> S+ 0 0 55 -4,-0.1 4,-2.0 3,-0.1 -1,-0.3 0.647 87.2 139.9 78.0 18.1 37.2 16.0 -3.4 332 337 A G H <> + 0 0 4 -3,-1.9 4,-2.2 2,-0.2 -5,-0.2 0.801 62.5 55.4 -66.5 -37.2 35.9 15.1 0.1 333 338 A T H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 111.9 45.9 -61.9 -42.6 38.9 16.2 2.1 334 339 A F H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.889 109.9 53.3 -64.3 -42.4 38.5 19.6 0.5 335 340 A L H X S+ 0 0 11 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.853 107.3 53.1 -59.0 -37.3 34.8 19.5 1.2 336 341 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.922 106.5 52.7 -60.4 -46.5 35.7 18.8 4.8 337 342 A F H X S+ 0 0 31 -4,-2.0 4,-2.8 -219,-0.3 -2,-0.2 0.884 107.3 50.7 -55.7 -43.5 38.0 21.9 4.7 338 343 A L H X S+ 0 0 22 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.823 110.2 50.9 -68.4 -34.1 35.1 24.1 3.5 339 344 A W H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.911 114.5 41.5 -64.0 -49.7 32.8 22.8 6.3 340 345 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.862 113.6 52.6 -72.4 -35.6 35.4 23.5 9.0 341 346 A F H X S+ 0 0 60 -4,-2.8 4,-2.3 -5,-0.2 5,-0.2 0.911 110.2 49.7 -60.5 -45.1 36.3 26.8 7.5 342 347 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.928 111.8 48.2 -55.3 -49.1 32.6 27.7 7.5 343 348 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.917 109.7 53.0 -60.0 -44.2 32.4 26.6 11.2 344 349 A F H X S+ 0 0 10 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.920 111.3 44.2 -58.5 -50.0 35.5 28.7 12.1 345 350 A F H X S+ 0 0 27 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.840 114.4 50.7 -62.3 -37.7 34.1 31.9 10.6 346 351 A A H X S+ 0 0 0 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.907 115.1 42.8 -66.0 -44.9 30.7 31.2 12.2 347 352 A G H >X S+ 0 0 0 -4,-3.0 4,-2.8 -327,-0.3 3,-0.6 0.931 112.0 54.7 -63.7 -46.9 32.3 30.7 15.6 348 353 A L H 3X S+ 0 0 2 -4,-3.1 4,-1.7 1,-0.3 -2,-0.2 0.877 105.4 50.1 -58.7 -44.9 34.7 33.7 15.2 349 354 A T H 3< S+ 0 0 4 -4,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.773 117.1 44.4 -65.9 -23.7 32.0 36.2 14.5 350 355 A S H S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.942 108.2 43.9 -56.0 -47.8 30.7 42.6 27.1 358 363 A M H > S+ 0 0 3 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.891 115.1 50.0 -63.6 -39.9 33.8 42.2 29.4 359 364 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.924 111.1 49.1 -60.6 -46.2 35.7 44.6 27.1 360 365 A A H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 5,-0.4 0.859 108.9 53.4 -62.6 -38.3 32.9 47.1 27.3 361 366 A F H X>S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 5,-1.0 0.927 110.2 46.3 -62.5 -46.6 32.8 46.8 31.2 362 367 A L H X5S+ 0 0 9 -4,-2.0 6,-2.2 3,-0.2 4,-0.5 0.883 118.6 42.0 -65.3 -40.3 36.5 47.5 31.5 363 368 A E H X5S+ 0 0 36 -4,-2.1 4,-0.6 4,-0.2 -2,-0.2 0.961 123.5 35.8 -68.6 -54.2 36.3 50.5 29.1 364 369 A D H <5S+ 0 0 15 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.905 132.2 23.4 -67.8 -46.6 33.1 52.0 30.4 365 370 A E H <5S+ 0 0 16 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 0.808 133.3 30.6-100.8 -33.3 33.3 51.3 34.1 366 371 A L H < - 0 0 55 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.385 33.6-105.3 -69.6 159.9 42.0 51.7 27.1 370 375 A R H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.920 121.5 52.9 -52.0 -48.2 40.7 49.5 24.4 371 376 A K H > S+ 0 0 126 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.930 113.6 40.4 -52.1 -55.5 44.1 47.7 24.2 372 377 A H H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.867 115.0 52.2 -65.4 -38.9 44.3 46.9 27.9 373 378 A A H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.903 114.7 41.9 -65.5 -44.3 40.6 46.0 28.1 374 379 A V H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.906 115.2 50.4 -67.0 -45.3 41.0 43.5 25.2 375 380 A L H X S+ 0 0 76 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.897 113.0 44.9 -65.4 -41.4 44.3 42.2 26.4 376 381 A W H X S+ 0 0 157 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.836 112.0 53.0 -66.8 -36.2 43.1 41.5 30.0 377 382 A T H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.886 110.1 47.6 -67.4 -39.5 39.9 40.0 28.7 378 383 A A H X S+ 0 0 14 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.827 108.8 55.2 -67.2 -35.5 41.9 37.6 26.5 379 384 A A H X S+ 0 0 44 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.881 109.9 45.8 -66.1 -40.0 44.2 36.7 29.4 380 385 A I H X S+ 0 0 29 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.874 116.1 44.8 -69.9 -40.9 41.2 35.7 31.6 381 386 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.951 115.6 48.4 -66.7 -47.6 39.6 33.7 28.8 382 387 A F H X S+ 0 0 60 -4,-3.0 4,-0.5 2,-0.2 -2,-0.2 0.938 116.0 41.7 -57.8 -54.3 43.0 32.1 27.9 383 388 A F H >< S+ 0 0 133 -4,-2.4 3,-1.5 1,-0.2 4,-0.2 0.952 115.8 49.2 -58.4 -52.8 43.9 31.1 31.4 384 389 A S H >X S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.3 4,-0.6 0.800 98.7 69.3 -57.9 -33.6 40.3 29.9 32.3 385 390 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 -1,-0.3 0.703 79.6 77.1 -59.2 -25.1 40.2 27.8 29.2 386 391 A H H S+ 0 0 34 -3,-1.8 4,-1.9 -4,-0.2 -1,-0.2 0.914 109.4 42.7 -73.5 -48.2 40.0 24.0 32.7 388 393 A V H < S+ 0 0 4 -4,-0.6 7,-0.3 1,-0.2 -2,-0.2 0.817 116.7 50.1 -66.6 -32.3 37.9 23.2 29.6 389 394 A M H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.837 123.0 26.4 -74.8 -35.6 41.0 21.8 27.8 390 395 A F H < S+ 0 0 79 -4,-1.3 -233,-2.0 -5,-0.2 2,-0.5 0.545 107.0 72.6-112.0 -11.3 42.3 19.5 30.6 391 396 A L B >< S-A 156 0A 14 -4,-1.9 3,-1.8 -235,-0.2 4,-0.4 -0.933 79.4-124.3-116.1 118.7 39.3 18.5 32.7 392 397 A N T 3 S+ 0 0 48 -237,-2.7 -3,-0.1 -2,-0.5 -2,-0.1 -0.333 91.8 5.8 -64.5 130.9 36.7 16.0 31.2 393 398 A K T 3> S+ 0 0 118 -5,-0.1 4,-1.4 -2,-0.1 -1,-0.3 0.519 90.7 116.9 71.8 8.5 33.1 17.3 31.1 394 399 A S H <> S+ 0 0 1 -3,-1.8 4,-2.3 -7,-0.2 5,-0.2 0.877 75.2 56.0 -65.4 -38.1 34.1 20.8 32.4 395 400 A L H > S+ 0 0 23 -4,-0.4 4,-2.3 -7,-0.3 -1,-0.2 0.901 106.7 49.2 -56.8 -43.9 32.8 22.1 29.0 396 401 A D H > S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.844 110.0 50.9 -66.5 -38.9 29.4 20.5 29.7 397 402 A E H X S+ 0 0 17 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.927 113.1 44.3 -66.8 -47.6 29.2 22.0 33.2 398 403 A M H X>S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-1.1 0.891 112.8 52.6 -61.7 -41.8 30.0 25.5 32.0 399 404 A D H <5S+ 0 0 40 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.822 112.3 47.0 -66.1 -32.8 27.6 25.1 29.0 400 405 A F H X>S+ 0 0 61 -4,-1.6 5,-3.2 3,-0.2 4,-0.9 0.963 117.2 38.0 -70.1 -56.3 24.8 24.0 31.4 401 406 A W H <>S+ 0 0 90 -4,-2.5 5,-1.7 3,-0.2 -2,-0.2 0.914 135.4 17.2 -68.7 -44.5 25.2 26.7 34.1 402 407 A A T <>S+ 0 0 0 -4,-2.2 5,-1.1 -5,-0.2 -3,-0.2 0.931 131.8 39.5 -89.6 -58.7 25.9 29.7 31.8 403 408 A G T 4S+ 0 0 52 -4,-2.1 4,-1.4 3,-0.2 5,-1.3 0.904 115.7 47.3 -61.7 -42.1 11.2 41.9 34.6 417 422 A I H <>S+ 0 0 3 -4,-2.6 5,-2.3 3,-0.2 4,-0.3 0.919 121.9 33.6 -66.9 -45.0 13.7 44.7 35.0 418 423 A F H <5S+ 0 0 0 -4,-2.0 5,-0.3 3,-0.2 9,-0.3 0.903 130.3 30.0 -78.1 -42.3 12.9 46.5 31.7 419 424 A F H <5S+ 0 0 1 -4,-2.9 5,-0.3 -5,-0.2 -3,-0.2 0.540 131.0 28.0-103.2 -8.5 9.1 45.8 31.4 420 425 A W T <5S+ 0 0 134 -4,-1.4 -3,-0.2 -5,-0.4 4,-0.2 0.634 129.6 28.0-121.4 -31.0 7.9 45.5 35.0 421 426 A I T - 0 0 21 -5,-0.3 4,-2.9 -6,-0.2 5,-0.2 0.103 17.2-122.1 125.6 124.6 7.8 50.5 33.4 424 429 A A H > S+ 0 0 7 -5,-0.3 4,-1.6 1,-0.2 5,-0.1 0.787 114.0 45.1 -57.2 -33.4 6.0 48.7 30.6 425 430 A D H > S+ 0 0 112 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.825 113.3 48.5 -85.4 -33.2 5.1 52.0 28.9 426 431 A K H > S+ 0 0 123 2,-0.2 4,-2.4 3,-0.2 -2,-0.2 0.920 112.9 49.6 -66.4 -46.5 8.5 53.5 29.2 427 432 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 -9,-0.3 -2,-0.2 0.928 111.3 47.7 -56.3 -50.8 10.1 50.3 27.8 428 433 A W H X S+ 0 0 56 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.886 112.5 49.8 -59.6 -43.6 7.7 50.2 24.8 429 434 A E H X S+ 0 0 123 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.885 111.0 50.2 -59.6 -42.4 8.4 53.8 24.1 430 435 A E H < S+ 0 0 23 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.859 110.9 49.2 -67.6 -36.2 12.2 53.1 24.3 431 436 A I H < S+ 0 0 0 -4,-2.3 -161,-0.3 1,-0.2 -2,-0.2 0.953 117.4 38.1 -65.8 -52.3 11.9 50.1 21.9 432 437 A N H >< S+ 0 0 18 -4,-2.3 3,-2.9 -5,-0.1 -2,-0.2 0.732 85.7 117.0 -75.9 -25.0 9.9 52.0 19.2 433 438 A R T 3< S+ 0 0 61 -4,-1.9 -163,-0.2 1,-0.3 -162,-0.1 -0.217 91.3 4.8 -48.6 121.8 11.7 55.3 19.5 434 439 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.3 -165,-0.1 -165,-0.2 0.487 96.0 159.8 77.8 5.5 13.4 56.0 16.2 435 440 A G < - 0 0 28 -3,-2.9 -1,-0.2 -166,-0.2 3,-0.1 -0.327 41.2-156.4 -64.7 135.7 11.9 52.9 14.6 436 441 A I S S+ 0 0 108 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.934 93.3 20.3 -69.6 -51.6 11.6 52.6 10.8 437 442 A I S S- 0 0 67 -3,-0.0 2,-0.3 0, 0.0 -165,-0.2 -0.815 90.8-120.6-107.6 157.2 8.7 50.2 11.5 438 443 A K - 0 0 170 -2,-0.3 3,-0.1 -3,-0.1 -6,-0.0 -0.677 28.5-105.7 -92.4 153.4 6.7 50.0 14.7 439 444 A V - 0 0 6 -2,-0.3 5,-0.1 -11,-0.1 -7,-0.1 -0.665 47.8 -98.5 -75.9 127.2 6.4 46.9 16.8 440 445 A P > - 0 0 65 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.190 28.8-123.5 -46.2 133.8 3.0 45.2 16.4 441 446 A R T >> S+ 0 0 199 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.743 108.0 66.6 -55.1 -30.5 0.6 46.2 19.2 442 447 A I H >> S+ 0 0 116 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.801 90.6 65.5 -61.4 -30.3 0.0 42.6 20.1 443 448 A Y H <> S+ 0 0 32 -3,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.648 86.9 68.3 -70.4 -17.2 3.7 42.3 21.2 444 449 A Y H <> S+ 0 0 20 -3,-1.3 4,-1.5 -4,-0.3 -1,-0.2 0.912 106.6 39.9 -63.9 -42.7 3.1 44.7 24.1 445 450 A Y H S+ 0 0 116 -3,-0.6 4,-2.0 -4,-0.6 5,-1.5 0.746 114.0 54.6 -78.6 -27.5 1.0 42.1 25.8 446 451 A V H <>S+ 0 0 12 -4,-1.2 5,-3.2 3,-0.2 -2,-0.2 0.959 112.3 43.1 -65.5 -53.3 3.4 39.3 24.7 447 452 A M H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.824 121.0 40.8 -61.3 -36.9 6.4 41.1 26.3 448 453 A R H <5S+ 0 0 84 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.861 137.2 1.5 -83.6 -38.1 4.5 42.1 29.5 449 454 A Y T X5S+ 0 0 115 -4,-2.0 4,-1.8 -5,-0.1 -3,-0.2 0.792 125.5 47.3-117.8 -52.4 2.5 38.9 30.1 450 455 A I H > S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.879 116.5 45.5 -63.1 -37.7 7.5 36.1 31.3 453 458 A A H X S+ 0 0 54 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.873 111.7 54.2 -67.7 -39.0 4.8 33.5 32.1 454 459 A F H X S+ 0 0 49 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.925 114.5 39.9 -56.5 -48.8 6.1 31.3 29.3 455 460 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.814 113.3 53.0 -75.7 -34.7 9.7 31.4 30.8 456 461 A A H X S+ 0 0 42 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.900 110.9 47.1 -67.6 -41.9 8.6 31.2 34.5 457 462 A V H X S+ 0 0 98 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.922 112.7 50.6 -63.4 -46.0 6.5 28.0 33.8 458 463 A L H X S+ 0 0 15 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.914 110.9 47.7 -55.0 -50.3 9.4 26.5 31.8 459 464 A L H X S+ 0 0 33 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.773 106.8 58.3 -66.5 -29.4 12.0 27.2 34.6 460 465 A V H < S+ 0 0 73 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.932 109.3 42.8 -65.1 -47.7 9.6 25.7 37.2 461 466 A V H >X S+ 0 0 50 -4,-1.8 4,-1.6 1,-0.2 3,-0.8 0.831 112.4 56.9 -67.1 -33.3 9.5 22.3 35.4 462 467 A W H 3X>S+ 0 0 22 -4,-1.7 5,-1.1 1,-0.2 4,-1.0 0.938 108.9 41.8 -63.3 -51.7 13.2 22.5 34.8 463 468 A A H 3<5S+ 0 0 54 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.220 123.4 39.8 -86.0 14.5 14.3 22.9 38.5 464 469 A R H <45S+ 0 0 199 -3,-0.8 -1,-0.2 -4,-0.1 -2,-0.2 0.484 125.2 28.4-134.2 -16.1 11.8 20.3 39.7 465 470 A E H <5S+ 0 0 147 -4,-1.6 -3,-0.2 -3,-0.2 -2,-0.2 0.286 129.2 28.3-131.4 7.3 11.8 17.5 37.0 466 471 A Y T <5 0 0 127 -4,-1.0 -3,-0.2 -5,-0.1 -4,-0.1 0.559 360.0 360.0-141.0 -30.1 15.4 17.6 35.6 467 472 A I < 0 0 146 -5,-1.1 -4,-0.1 0, 0.0 -5,-0.1 0.474 360.0 360.0 -72.5 360.0 17.9 18.9 38.1 468 ! 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 0.0 469 479 A T 0 0 153 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.5 27.5 13.3 38.3 470 480 A H > - 0 0 96 1,-0.1 3,-1.6 2,-0.0 4,-0.2 -0.331 360.0-113.1 -64.8 152.5 31.2 12.7 39.0 471 481 A W T > S+ 0 0 174 1,-0.3 3,-1.9 2,-0.1 4,-0.3 0.764 108.0 75.9 -61.4 -27.3 32.9 14.6 41.8 472 482 A T T >> S+ 0 0 9 1,-0.3 3,-0.9 2,-0.2 4,-0.8 0.606 74.3 78.1 -63.6 -13.4 35.0 16.6 39.3 473 483 A V H <> S+ 0 0 12 -3,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.779 85.3 65.1 -63.8 -25.2 32.0 18.8 38.3 474 484 A W H <> S+ 0 0 160 -3,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.715 91.2 61.2 -68.5 -28.2 32.7 20.7 41.6 475 485 A I H <> S+ 0 0 61 -3,-0.9 4,-2.4 -4,-0.3 -1,-0.2 0.908 110.1 41.7 -61.2 -44.0 36.1 21.9 40.3 476 486 A T H X S+ 0 0 1 -4,-0.8 4,-2.6 2,-0.2 5,-0.2 0.910 115.0 49.0 -74.1 -43.8 34.2 23.7 37.5 477 487 A R H X S+ 0 0 52 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.950 113.1 48.9 -57.7 -51.0 31.4 24.9 39.8 478 488 A F H X S+ 0 0 162 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.956 112.9 47.6 -51.1 -55.1 33.9 26.2 42.3 479 489 A Y H X S+ 0 0 59 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.896 114.3 44.0 -58.9 -45.3 36.0 28.0 39.5 480 490 A I H X S+ 0 0 4 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.827 110.6 54.5 -75.4 -31.6 33.0 29.7 37.8 481 491 A I H X S+ 0 0 99 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.908 108.4 51.6 -59.2 -43.7 31.5 30.8 41.2 482 492 A G H X S+ 0 0 34 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.812 106.3 53.4 -60.7 -35.0 34.9 32.3 41.8 483 493 A L H X S+ 0 0 11 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.872 108.4 49.9 -67.2 -39.7 34.7 34.1 38.5 484 494 A F H X S+ 0 0 32 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.899 111.6 47.7 -62.9 -41.7 31.3 35.5 39.5 485 495 A L H X S+ 0 0 113 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.882 110.9 52.4 -67.4 -38.8 32.7 36.7 42.8 486 496 A F H X S+ 0 0 82 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.881 110.0 47.2 -61.4 -42.1 35.7 38.2 40.9 487 497 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.817 109.0 55.2 -72.8 -31.1 33.3 40.2 38.6 488 498 A T H X S+ 0 0 45 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.911 105.6 52.9 -63.6 -42.8 31.3 41.3 41.6 489 499 A F H X S+ 0 0 113 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.923 108.6 49.8 -56.8 -44.3 34.5 42.7 43.1 490 500 A L H X S+ 0 0 19 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.868 109.3 50.4 -65.1 -38.0 35.1 44.6 39.8 491 501 A V H X S+ 0 0 13 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.917 110.6 50.9 -63.1 -43.5 31.6 46.1 39.9 492 502 A F H X S+ 0 0 87 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.904 110.9 48.0 -56.8 -46.1 32.3 47.1 43.5 493 503 A L H X S+ 0 0 71 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.810 108.9 55.2 -65.9 -31.4 35.5 48.8 42.4 494 504 A A H X S+ 0 0 8 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.854 107.2 47.8 -70.7 -37.9 33.7 50.5 39.5 495 505 A E H X S+ 0 0 29 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.762 111.6 52.3 -74.1 -25.2 31.1 52.1 41.9 496 506 A R H X S+ 0 0 108 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.850 107.2 50.8 -74.8 -38.5 34.0 53.2 44.1 497 507 A R H < S+ 0 0 95 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.892 108.1 53.8 -62.8 -40.6 35.8 54.9 41.2 498 508 A R H < S+ 0 0 151 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.802 106.9 52.3 -63.9 -33.0 32.6 56.7 40.4 499 509 A N H < 0 0 114 -4,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.912 360.0 360.0 -68.5 -46.3 32.4 58.0 44.0 500 510 A H < 0 0 206 -4,-1.9 -2,-0.2 -5,-0.0 -3,-0.2 0.666 360.0 360.0 -90.4 360.0 36.0 59.4 43.8 501 ! 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 0.0 502 601 A L 0 0 0 0, 0.0 -480,-2.7 0, 0.0 -481,-0.3 0.000 360.0 360.0 360.0 360.0 25.7 32.0 18.9