==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 19-FEB-11 3QS5 . COMPND 2 MOLECULE: NA(+):NEUROTRANSMITTER SYMPORTER (SNF FAMILY); . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR C.L.PISCITELLI,E.GOUAUX . 510 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 79.2 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 . 4 0.8 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 . 37 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 322 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 1 1 4 3 1 0 1 2 0 3 1 2 1 0 0 1 0 0 0 1 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 113 0, 0.0 2,-0.1 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 147.3 34.4 54.7 22.9 2 6 A E - 0 0 40 262,-0.0 2,-0.3 1,-0.0 179,-0.0 -0.369 360.0-177.3 -68.7 139.4 34.4 52.2 20.0 3 7 A H - 0 0 62 -2,-0.1 2,-0.2 262,-0.0 261,-0.2 -0.962 37.3 -94.0-132.2 152.9 31.4 52.0 17.7 4 8 A W - 0 0 7 259,-1.4 261,-0.2 -2,-0.3 179,-0.1 -0.500 32.0-149.6 -64.1 129.2 30.6 49.7 14.7 5 9 A A S S+ 0 0 74 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.912 72.9 19.7 -70.5 -45.0 31.8 51.5 11.6 6 10 A T > - 0 0 53 1,-0.1 4,-2.1 177,-0.1 -1,-0.1 -0.906 67.5-127.2-129.9 157.2 29.2 50.1 9.2 7 11 A R H > S+ 0 0 116 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.848 111.1 51.6 -69.6 -36.4 25.8 48.4 9.4 8 12 A L H > S+ 0 0 106 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.958 110.9 47.9 -63.5 -50.9 26.9 45.4 7.3 9 13 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.896 112.1 50.7 -55.5 -43.1 29.9 44.9 9.5 10 14 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.951 112.7 45.5 -59.1 -50.9 27.7 45.1 12.5 11 15 A I H X S+ 0 0 17 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.921 115.4 46.7 -58.6 -46.6 25.2 42.6 11.1 12 16 A L H X S+ 0 0 25 -4,-3.3 4,-2.3 2,-0.2 -1,-0.2 0.807 111.1 52.0 -68.7 -30.8 28.0 40.2 10.1 13 17 A A H X S+ 0 0 3 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.905 113.0 44.3 -70.9 -42.5 29.8 40.6 13.4 14 18 A M H X S+ 0 0 4 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.858 114.7 50.0 -67.3 -37.0 26.5 39.7 15.3 15 19 A A H X S+ 0 0 0 -4,-2.5 4,-3.4 -5,-0.2 -2,-0.2 0.881 110.3 49.7 -67.1 -40.5 25.9 36.9 12.8 16 20 A G H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.829 109.0 53.8 -66.5 -33.6 29.5 35.6 13.3 17 21 A N H < S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.914 117.6 35.4 -60.3 -46.1 28.8 35.8 17.1 18 22 A A H < S+ 0 0 1 -4,-1.8 2,-0.8 494,-0.1 -2,-0.2 0.895 105.8 72.9 -82.8 -43.0 25.7 33.7 16.7 19 23 A V S < S+ 0 0 0 -4,-3.4 2,-0.2 493,-0.2 330,-0.1 -0.668 72.0 109.6 -76.2 106.4 26.8 31.3 13.9 20 24 A G S >> S- 0 0 0 -2,-0.8 3,-1.2 229,-0.1 4,-1.1 -0.566 81.6 -39.4-147.5-149.8 29.4 28.8 15.3 21 25 A L H 3>>S+ 0 0 7 1,-0.3 4,-3.6 491,-0.3 5,-1.0 0.831 125.5 65.7 -58.5 -32.4 30.2 25.3 16.2 22 26 A G H 34>S+ 0 0 0 490,-3.1 5,-2.5 3,-0.2 -1,-0.3 0.842 99.1 52.7 -57.8 -34.1 26.7 25.1 17.7 23 27 A N H <45S+ 0 0 0 -3,-1.2 -1,-0.2 489,-0.3 -2,-0.2 0.877 124.4 23.1 -67.7 -39.3 25.4 25.4 14.1 24 28 A F H <5S+ 0 0 0 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.1 0.619 136.3 26.8-108.7 -18.3 27.4 22.6 12.6 25 29 A L T X5S+ 0 0 15 -4,-3.6 4,-1.1 -5,-0.2 -3,-0.2 0.798 123.9 36.1-108.2 -55.5 28.2 20.4 15.7 26 30 A R H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.914 116.7 44.9 -54.6 -44.6 22.6 18.1 14.1 29 33 A V H X S+ 0 0 6 -4,-1.1 4,-2.8 2,-0.2 5,-0.2 0.929 114.7 47.9 -63.6 -46.9 23.4 16.0 17.2 30 34 A Q H X S+ 0 0 30 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.904 114.2 47.1 -60.0 -43.0 20.6 17.6 19.2 31 35 A A H <>S+ 0 0 1 -4,-3.4 5,-2.4 -5,-0.2 8,-0.3 0.890 114.7 46.5 -66.4 -40.4 18.1 17.2 16.4 32 36 A A H ><5S+ 0 0 1 -4,-2.4 3,-1.2 -5,-0.3 -2,-0.2 0.902 108.2 53.4 -70.9 -44.1 19.1 13.5 15.8 33 37 A E H 3<5S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.8 52.3 -58.2 -35.2 19.1 12.4 19.4 34 38 A N T 3<5S- 0 0 30 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.086 131.3 -80.9-102.0 34.3 15.5 13.8 19.8 35 39 A G T X 5 - 0 0 36 -3,-1.2 2,-1.3 3,-0.2 3,-0.9 0.622 56.3-112.7 84.2 14.4 13.8 12.1 16.9 36 40 A G T >> S+ 0 0 0 -2,-1.3 4,-1.0 187,-1.3 -1,-0.3 0.701 110.5 66.7 -70.7 -21.1 11.6 16.2 13.2 38 42 A A H <4 S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.2 5,-0.2 0.828 97.6 56.3 -63.9 -32.3 10.3 15.9 16.7 39 43 A F H <> S+ 0 0 0 -3,-0.9 4,-1.8 -8,-0.3 -1,-0.2 0.816 98.8 62.7 -68.5 -31.3 13.1 18.3 17.7 40 44 A M H X S+ 0 0 11 -4,-0.6 4,-3.0 185,-0.3 5,-0.3 0.883 94.3 55.0 -69.4 -44.6 11.8 20.9 15.1 41 45 A I H X S+ 0 0 55 -4,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.961 116.1 38.0 -56.8 -54.5 8.3 21.7 16.4 42 46 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.879 114.8 58.6 -61.4 -35.6 9.6 22.7 19.9 43 47 A Y H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.907 106.5 45.1 -61.4 -46.0 12.6 24.3 18.3 44 48 A I H X S+ 0 0 82 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.919 113.9 50.0 -64.0 -44.6 10.6 26.7 16.2 45 49 A I H X S+ 0 0 61 -4,-2.0 4,-2.8 -5,-0.3 5,-0.4 0.915 109.5 51.4 -58.8 -44.7 8.4 27.5 19.2 46 50 A A H X>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 4,-2.0 0.877 108.6 52.4 -59.6 -38.9 11.5 28.2 21.3 47 51 A F H <>S+ 0 0 35 -4,-1.9 5,-2.4 3,-0.2 -1,-0.2 0.866 114.8 40.6 -66.7 -37.4 12.8 30.5 18.6 48 52 A L H <5S+ 0 0 81 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.912 123.9 34.7 -77.9 -45.3 9.6 32.6 18.5 49 53 A L H <5S+ 0 0 48 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.767 138.3 8.1 -84.5 -28.1 8.8 32.8 22.2 50 54 A V T X5S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.4 5,-0.4 0.751 121.4 53.3-118.3 -59.6 12.4 32.9 23.7 51 55 A G H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.947 115.4 45.3 -54.9 -52.1 12.4 38.2 22.4 54 58 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.807 107.7 60.4 -62.8 -31.1 15.6 37.6 24.4 55 59 A M H X S+ 0 0 4 -4,-1.4 4,-1.8 -5,-0.4 -1,-0.2 0.955 108.9 41.3 -60.6 -51.3 17.6 38.7 21.4 56 60 A W H X S+ 0 0 9 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.913 111.5 56.6 -62.3 -44.9 16.0 42.1 21.3 57 61 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.896 108.7 46.6 -54.8 -43.6 16.1 42.5 25.0 58 62 A E H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.884 109.4 53.6 -69.6 -38.8 19.9 42.0 25.1 59 63 A W H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.919 109.4 50.2 -58.4 -44.9 20.5 44.4 22.2 60 64 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.936 111.4 46.3 -59.5 -50.1 18.6 47.1 24.1 61 65 A M H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.871 113.4 50.3 -63.1 -38.9 20.6 46.6 27.3 62 66 A G H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.977 115.6 40.6 -61.9 -56.6 23.8 46.6 25.3 63 67 A R H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.906 117.1 50.2 -59.0 -44.2 23.0 49.8 23.5 64 68 A Y H X S+ 0 0 43 -4,-3.3 4,-0.8 -5,-0.3 -1,-0.2 0.943 115.5 42.1 -58.4 -50.3 21.5 51.4 26.6 65 69 A G H ><>S+ 0 0 0 -4,-2.9 5,-2.7 -5,-0.2 3,-0.8 0.889 110.1 58.1 -64.3 -41.0 24.6 50.5 28.7 66 70 A G H ><5S+ 0 0 8 -4,-3.3 3,-2.2 1,-0.2 -1,-0.2 0.885 97.4 61.0 -56.7 -42.2 26.9 51.5 25.9 67 71 A A H 3<5S+ 0 0 57 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.6 45.0 -55.1 -35.2 25.5 55.0 25.8 68 72 A Q T <<5S- 0 0 106 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.294 127.0 -99.5 -95.4 9.5 26.6 55.5 29.4 69 73 A G T < 5S+ 0 0 31 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.658 87.1 115.5 85.7 18.2 30.0 53.9 28.8 70 74 A H < + 0 0 38 -5,-2.7 -1,-0.2 -8,-0.1 -2,-0.2 -0.976 31.9 172.5-124.9 133.1 29.3 50.4 30.1 71 75 A G + 0 0 0 -2,-0.4 2,-0.3 289,-0.2 191,-0.2 0.488 58.1 71.1-114.3 -6.3 29.3 47.2 28.0 72 76 A T S > S- 0 0 3 288,-0.1 4,-2.4 -7,-0.1 3,-0.4 -0.755 79.3-115.8-118.6 162.7 28.9 44.5 30.7 73 77 A T H > S+ 0 0 1 17,-0.3 4,-3.5 -2,-0.3 5,-0.4 0.797 103.0 67.2 -68.1 -35.4 26.2 43.3 33.0 74 78 A P H > S+ 0 0 4 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.931 117.5 27.7 -53.0 -45.7 27.7 44.1 36.4 75 79 A A H > S+ 0 0 17 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.899 122.0 52.6 -79.0 -45.5 27.4 47.8 35.6 76 80 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.889 106.3 54.0 -59.7 -42.3 24.4 47.6 33.3 77 81 A F H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.884 107.5 52.4 -56.4 -39.5 22.4 45.6 35.8 78 82 A Y H < S+ 0 0 48 -4,-0.7 -1,-0.2 -5,-0.4 -2,-0.2 0.846 107.4 51.5 -68.2 -34.9 23.1 48.4 38.3 79 83 A L H < S+ 0 0 32 -4,-1.7 3,-0.2 1,-0.2 -2,-0.2 0.908 116.7 38.1 -69.0 -44.3 21.8 51.1 35.8 80 84 A L H < S+ 0 0 11 -4,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.859 133.2 27.0 -73.3 -36.6 18.5 49.3 35.2 81 85 A W S < S- 0 0 61 -4,-2.5 2,-2.0 -5,-0.3 -1,-0.3 -0.952 75.5-146.5-134.0 113.2 18.3 48.2 38.8 82 86 A R + 0 0 162 -2,-0.4 2,-0.3 -3,-0.2 -4,-0.1 -0.456 57.3 112.9 -82.0 70.8 19.9 50.3 41.5 83 87 A N >> - 0 0 68 -2,-2.0 4,-0.9 -6,-0.1 3,-0.8 -0.996 69.7-131.0-141.3 144.7 20.9 47.5 44.0 84 88 A R H 3> S+ 0 0 148 -2,-0.3 4,-1.3 1,-0.2 3,-0.5 0.852 111.3 60.4 -58.0 -34.4 24.2 46.0 45.2 85 89 A F H 3> S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.810 94.6 62.5 -63.7 -31.7 22.7 42.6 44.4 86 90 A A H <> S+ 0 0 0 -3,-0.8 4,-1.3 1,-0.2 -1,-0.2 0.857 101.6 51.2 -64.5 -36.7 22.3 43.6 40.8 87 91 A K H X S+ 0 0 26 -4,-0.9 4,-0.8 -3,-0.5 -1,-0.2 0.915 110.2 48.5 -64.7 -44.9 26.1 44.0 40.4 88 92 A I H >< S+ 0 0 83 -4,-1.3 3,-0.9 1,-0.2 4,-0.5 0.897 111.2 49.4 -64.6 -41.6 26.7 40.5 41.9 89 93 A L H >< S+ 0 0 32 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.831 105.0 62.5 -60.8 -31.4 24.1 39.0 39.6 90 94 A G H >< S+ 0 0 0 -4,-1.3 3,-1.6 1,-0.2 4,-0.4 0.721 83.0 76.9 -68.2 -22.8 26.0 40.9 36.9 91 95 A V T XX S+ 0 0 0 -3,-0.9 4,-3.0 -4,-0.8 3,-2.2 0.862 83.9 64.5 -56.7 -37.4 29.1 38.9 37.6 92 96 A F H <> S+ 0 0 72 -3,-0.9 4,-2.4 -4,-0.5 -1,-0.3 0.784 91.7 65.1 -56.8 -26.9 27.5 36.0 35.7 93 97 A G H <4 S+ 0 0 2 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.699 113.7 31.5 -69.7 -19.9 27.6 38.2 32.6 94 98 A L H <> S+ 0 0 0 -3,-2.2 4,-1.3 -4,-0.4 -2,-0.2 0.745 122.8 48.8 -99.1 -38.6 31.4 38.1 32.9 95 99 A W H X S+ 0 0 20 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.945 107.1 51.0 -70.6 -52.9 31.7 34.6 34.3 96 100 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.915 114.1 42.7 -55.2 -49.3 29.4 32.6 32.0 97 101 A P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.845 114.8 51.7 -69.1 -31.9 31.1 33.9 28.7 98 102 A L H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.908 109.9 47.6 -69.8 -43.8 34.6 33.5 30.2 99 103 A V H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 5,-0.2 0.913 112.0 51.2 -63.1 -42.9 34.0 29.9 31.3 100 104 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.3 3,-0.4 0.918 106.7 53.4 -60.6 -45.9 32.5 29.0 27.9 101 105 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.4 0.886 99.0 65.8 -55.7 -41.3 35.5 30.5 26.0 102 106 A I H < S+ 0 0 0 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.889 117.2 22.4 -52.7 -49.1 37.9 28.4 28.0 103 107 A Y H X S+ 0 0 4 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.806 120.9 60.2 -87.1 -32.1 36.7 25.0 26.6 104 108 A Y H X S+ 0 0 4 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.912 102.9 50.3 -63.4 -45.8 35.2 26.4 23.4 105 109 A V H X S+ 0 0 0 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.831 108.7 54.9 -62.0 -32.2 38.5 27.9 22.1 106 110 A Y H > S+ 0 0 4 -4,-0.4 4,-1.2 -5,-0.4 -2,-0.2 0.938 108.4 45.9 -66.6 -47.7 40.1 24.5 22.8 107 111 A I H X S+ 0 0 11 -4,-2.1 4,-1.4 1,-0.2 3,-0.4 0.885 110.3 56.5 -60.4 -37.3 37.5 22.7 20.7 108 112 A E H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.862 101.8 55.8 -60.1 -37.2 38.1 25.5 18.1 109 113 A S H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.795 99.9 59.9 -69.4 -27.9 41.8 24.6 18.1 110 114 A W H X S+ 0 0 9 -4,-1.2 4,-3.1 -3,-0.4 5,-0.3 0.945 102.3 52.2 -61.9 -48.4 41.0 21.0 17.2 111 115 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 233,-0.2 0.849 110.6 48.5 -57.8 -36.3 39.3 22.1 14.0 112 116 A L H X S+ 0 0 18 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.911 112.2 48.4 -69.5 -42.8 42.4 24.1 13.1 113 117 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.898 114.9 44.3 -64.5 -42.9 44.6 21.1 13.9 114 118 A F H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.901 112.4 52.9 -67.2 -42.4 42.5 18.7 11.8 115 119 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.926 111.4 46.3 -58.1 -46.9 42.2 21.3 9.0 116 120 A I H X S+ 0 0 68 -4,-2.6 4,-1.9 1,-0.2 6,-0.2 0.925 114.8 46.3 -61.6 -46.8 46.0 21.7 8.9 117 121 A K H <>S+ 0 0 45 -4,-2.2 5,-2.1 1,-0.2 4,-0.3 0.846 111.9 51.6 -66.0 -34.5 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1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.836 97.8 55.5 -61.8 -34.3 4.0 12.0 20.0 232 237 A K G >4 S+ 0 0 83 1,-0.2 3,-0.7 -3,-0.2 6,-0.3 0.731 91.5 72.6 -72.9 -22.9 7.5 13.2 20.8 233 238 A L G <4 S+ 0 0 15 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.817 86.7 64.3 -63.6 -30.0 6.4 16.8 21.5 234 239 A K G << S+ 0 0 142 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.845 81.3 93.9 -65.7 -34.9 4.7 15.7 24.8 235 240 A D S <> S- 0 0 68 -3,-0.7 4,-0.9 -4,-0.4 3,-0.4 -0.344 70.4-143.4 -62.2 132.1 8.0 14.7 26.5 236 241 A P H > S+ 0 0 68 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.832 95.0 67.9 -61.6 -34.8 9.7 17.4 28.6 237 242 A G H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.860 96.8 50.7 -57.2 -41.8 13.1 16.2 27.5 238 243 A V H > S+ 0 0 2 -3,-0.4 4,-2.5 -6,-0.3 -1,-0.2 0.890 110.7 48.6 -65.7 -41.2 12.7 17.3 23.9 239 244 A W H X S+ 0 0 55 -4,-0.9 4,-2.5 2,-0.2 5,-0.2 0.870 109.5 53.7 -65.4 -38.0 11.6 20.8 24.9 240 245 A I H X S+ 0 0 21 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.917 111.8 44.5 -62.1 -44.3 14.5 21.1 27.3 241 246 A A H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 113.0 51.1 -66.5 -43.9 16.9 20.2 24.5 242 247 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.924 113.3 44.0 -60.6 -47.2 15.3 22.5 22.0 243 248 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.873 111.4 54.8 -66.7 -38.2 15.4 25.5 24.3 244 249 A G H X S+ 0 0 12 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.904 108.3 48.8 -60.5 -42.6 19.0 24.7 25.3 245 250 A Q H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.887 108.0 55.1 -65.1 -39.7 20.0 24.7 21.7 246 251 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 6,-0.3 0.948 109.7 44.8 -59.8 -53.0 18.3 28.1 21.1 247 252 A F H X>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 4,-0.8 0.952 116.9 46.8 -53.2 -52.7 20.1 29.9 23.9 248 253 A F H <5S+ 0 0 12 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.900 115.2 44.1 -60.9 -44.7 23.4 28.3 22.8 249 254 A T H <5S+ 0 0 0 -4,-3.1 -1,-0.2 263,-0.3 -2,-0.2 0.818 117.3 43.4 -72.4 -37.2 23.0 29.1 19.1 250 255 A L H <5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.485 107.8-125.3 -84.7 -3.3 21.8 32.6 19.5 251 256 A S T ><5 + 0 0 0 -4,-0.8 3,-0.8 -3,-0.3 6,-0.6 0.814 52.9 163.9 66.0 31.1 24.4 33.3 22.2 252 257 A L T 3 < + 0 0 0 -5,-2.1 -1,-0.2 -6,-0.3 159,-0.2 -0.618 54.2 18.6 -86.8 139.3 21.7 34.3 24.6 253 258 A G T 3 S+ 0 0 0 -2,-0.3 -1,-0.2 157,-0.2 157,-0.2 0.591 96.7 96.2 81.8 11.2 22.3 34.6 28.3 254 259 A F S < S- 0 0 0 -3,-0.8 -2,-0.1 -7,-0.1 -156,-0.1 0.459 91.7-125.0-104.0 -7.1 26.0 34.7 28.0 255 260 A G S > S+ 0 0 2 -4,-0.2 4,-1.3 -159,-0.1 -182,-0.1 0.539 83.8 111.5 74.3 7.2 26.1 38.5 28.2 256 261 A A H > + 0 0 0 -5,-0.4 4,-2.0 2,-0.2 5,-0.2 0.869 69.9 53.0 -80.3 -40.1 28.0 38.4 24.9 257 262 A I H > S+ 0 0 2 -6,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.886 107.8 55.2 -60.2 -38.4 25.2 40.0 22.7 258 263 A I H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 105.8 48.6 -62.1 -47.5 25.1 42.8 25.3 259 264 A T H < S+ 0 0 1 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.925 114.2 46.8 -60.7 -45.0 28.8 43.7 25.0 260 265 A Y H >< S+ 0 0 1 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.911 111.6 51.8 -60.3 -44.2 28.5 43.7 21.2 261 266 A A H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.784 95.3 69.7 -64.5 -30.0 25.4 45.8 21.3 262 267 A S T 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.667 92.9 59.9 -65.3 -15.3 27.0 48.4 23.6 263 268 A Y T < S+ 0 0 1 -3,-1.4 -259,-1.4 -4,-0.4 -1,-0.3 0.478 82.9 100.4 -92.3 -4.5 29.1 49.4 20.6 264 269 A V S < S- 0 0 3 -3,-2.0 -197,-0.1 -261,-0.2 -198,-0.1 -0.615 87.6-100.7 -76.8 140.2 26.0 50.3 18.6 265 270 A R > - 0 0 149 -2,-0.3 3,-1.4 -261,-0.2 -1,-0.1 -0.246 36.4-104.5 -64.4 154.8 25.4 54.1 18.5 266 271 A K T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -200,-0.1 -199,-0.1 0.793 116.0 28.6 -55.0 -41.2 22.7 55.3 20.9 267 272 A D T 3 S+ 0 0 96 2,-0.1 -1,-0.3 167,-0.1 2,-0.1 0.337 91.8 122.8-103.7 6.1 19.9 55.9 18.4 268 273 A Q S < S- 0 0 31 -3,-1.4 167,-0.1 1,-0.1 2,-0.1 -0.423 72.8 -96.1 -71.4 142.6 20.9 53.3 15.9 269 274 A D + 0 0 3 165,-0.2 166,-0.2 1,-0.1 -1,-0.1 -0.322 44.9 165.6 -63.6 134.1 18.4 50.6 15.1 270 275 A I > + 0 0 0 161,-0.4 4,-1.8 163,-0.3 5,-0.2 0.470 66.8 71.2-119.2 -14.3 18.6 47.3 17.0 271 276 A V H > S+ 0 0 0 160,-0.2 4,-1.7 2,-0.2 5,-0.1 0.978 109.9 27.5 -69.2 -57.7 15.1 45.9 16.1 272 277 A L H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.920 123.0 52.8 -70.5 -44.9 15.8 45.1 12.4 273 278 A S H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.912 109.9 49.4 -56.0 -45.2 19.5 44.6 12.9 274 279 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.917 111.9 48.0 -60.6 -44.9 18.8 42.1 15.8 275 280 A L H X S+ 0 0 55 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.885 109.7 52.2 -64.8 -40.6 16.3 40.2 13.7 276 281 A T H X S+ 0 0 53 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.918 110.0 47.4 -64.6 -44.8 18.6 40.0 10.6 277 282 A A H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.902 115.3 46.5 -62.7 -41.5 21.5 38.5 12.6 278 283 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.882 111.1 51.9 -67.0 -39.3 19.1 36.0 14.3 279 284 A T H X S+ 0 0 58 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.860 108.4 52.7 -65.2 -35.7 17.6 35.2 10.9 280 285 A L H X S+ 0 0 47 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.904 107.7 49.8 -67.2 -43.3 21.1 34.6 9.5 281 286 A N H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.912 110.6 49.2 -63.3 -42.8 22.0 32.1 12.3 282 287 A E H X>S+ 0 0 10 -4,-1.9 4,-2.9 2,-0.2 5,-0.6 0.906 111.1 49.8 -62.5 -42.7 18.9 30.1 11.9 283 288 A K H X>S+ 0 0 101 -4,-1.8 5,-1.0 1,-0.2 4,-1.0 0.907 115.0 44.7 -62.4 -40.6 19.4 29.8 8.2 284 289 A A H <>S+ 0 0 0 -4,-2.2 5,-2.1 3,-0.2 -2,-0.2 0.855 116.6 47.6 -68.4 -34.8 23.0 28.7 8.8 285 290 A E H <>S+ 0 0 0 -4,-2.4 5,-0.9 3,-0.2 -2,-0.2 0.914 126.1 21.0 -77.1 -46.1 21.9 26.3 11.6 286 291 A V H <5S+ 0 0 11 -4,-2.9 5,-0.3 3,-0.2 4,-0.2 0.880 129.9 41.1 -92.5 -44.5 19.0 24.5 9.9 287 292 A I T < S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -74,-0.2 0.750 108.9 57.8 -61.5 -26.6 22.4 13.5 5.7 296 301 A A H X S+ 0 0 0 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.917 110.6 42.4 -69.5 -42.6 26.0 12.4 5.2 297 302 A A H X S+ 0 0 1 -4,-1.4 4,-2.5 -3,-0.4 5,-0.5 0.856 112.7 54.8 -69.7 -37.1 25.7 9.9 8.0 298 303 A V H X S+ 0 0 1 -4,-2.2 4,-2.6 3,-0.2 -2,-0.2 0.927 105.7 51.6 -63.2 -47.3 22.3 8.8 6.8 299 304 A A H < S+ 0 0 0 -4,-2.1 -83,-0.3 1,-0.2 -2,-0.2 0.978 119.8 33.7 -52.2 -62.2 23.5 8.0 3.3 300 305 A F H < S+ 0 0 34 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.807 137.9 17.9 -65.0 -34.6 26.4 5.8 4.3 301 306 A F H < S- 0 0 24 -4,-2.5 4,-0.5 -5,-0.2 -3,-0.2 0.622 100.1-118.6-118.7 -18.0 24.8 4.3 7.4 302 307 A G X - 0 0 16 -4,-2.6 4,-1.9 -5,-0.5 5,-0.2 -0.106 40.2 -71.4 90.4 164.2 21.0 4.7 7.3 303 308 A V H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.936 127.1 51.3 -59.8 -52.6 18.7 6.5 9.7 304 309 A A H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 113.5 43.9 -54.2 -50.7 19.0 4.1 12.7 305 310 A N H > S+ 0 0 96 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.864 110.9 55.1 -64.4 -37.4 22.8 4.0 12.7 306 311 A A H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.926 107.9 48.7 -60.7 -45.7 23.0 7.8 12.2 307 312 A V H X S+ 0 0 25 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.871 111.1 51.3 -61.0 -37.1 20.9 8.3 15.3 308 313 A A H X S+ 0 0 54 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.852 109.5 50.5 -66.2 -35.8 23.1 5.8 17.1 309 314 A I H X S+ 0 0 20 -4,-2.2 4,-0.9 2,-0.2 8,-0.2 0.885 109.9 49.0 -69.3 -40.2 26.1 7.9 15.9 310 315 A A H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.862 110.6 51.9 -66.3 -36.3 24.6 11.1 17.2 311 316 A K H < S+ 0 0 126 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.799 99.0 66.3 -68.6 -31.1 23.8 9.5 20.6 312 317 A A H < S- 0 0 70 -4,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.880 115.6 -28.8 -63.8 -43.6 27.4 8.2 21.0 313 318 A G X - 0 0 17 -4,-0.9 4,-0.6 -3,-0.2 -1,-0.2 -0.987 44.8-115.9-170.3 161.2 29.1 11.6 21.3 314 319 A A T 4 S+ 0 0 57 -2,-0.3 4,-0.4 1,-0.2 -285,-0.1 0.780 118.7 34.6 -73.0 -28.1 29.1 15.3 20.5 315 320 A F T >>S+ 0 0 51 2,-0.1 4,-2.8 3,-0.1 5,-0.6 0.471 96.7 84.7-107.2 -7.0 32.3 15.1 18.6 316 321 A N H >>S+ 0 0 32 3,-0.2 5,-3.4 2,-0.2 4,-1.6 0.941 96.3 40.2 -61.5 -50.3 31.8 11.6 17.1 317 322 A L H <>S+ 0 0 5 -4,-0.6 5,-2.3 -8,-0.2 -1,-0.2 0.905 123.0 40.8 -64.5 -43.1 29.8 12.9 14.1 318 323 A G H 45S+ 0 0 3 -4,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.870 129.9 21.9 -77.1 -39.5 31.9 16.0 13.5 319 324 A F H <5S+ 0 0 0 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.640 135.7 23.1-107.0 -19.1 35.4 14.6 14.1 320 325 A I T X S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.874 113.3 49.0 -61.0 -36.0 35.8 12.6 8.1 324 329 A A H X S+ 0 0 0 -4,-1.3 4,-0.8 2,-0.2 -2,-0.2 0.856 111.4 48.6 -70.8 -37.1 35.5 8.8 7.8 325 330 A I H >X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 3,-0.6 0.905 111.9 49.9 -66.9 -41.6 32.6 9.1 5.4 326 331 A F H 3< S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.852 98.5 67.8 -63.4 -36.0 34.5 11.7 3.4 327 332 A S H 3< S+ 0 0 34 -4,-1.7 5,-0.2 1,-0.3 -1,-0.2 0.809 98.4 51.6 -58.4 -32.3 37.6 9.4 3.2 328 333 A Q H << S+ 0 0 76 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.902 98.9 80.8 -68.4 -41.9 35.7 7.0 1.0 329 334 A T S >< S- 0 0 19 -4,-1.0 3,-1.7 -3,-0.3 2,-0.2 -0.226 96.9 -91.1 -69.6 154.5 34.7 9.7 -1.5 330 335 A A T 3 S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.471 115.1 9.1 -67.8 130.0 36.9 11.1 -4.2 331 336 A G T 3> S+ 0 0 56 -2,-0.2 4,-1.9 -4,-0.1 -1,-0.3 0.766 88.5 149.8 68.1 26.2 39.0 14.1 -2.9 332 337 A G H <> + 0 0 4 -3,-1.7 4,-2.2 -5,-0.2 -5,-0.2 0.859 63.2 53.7 -60.0 -40.5 37.6 13.2 0.5 333 338 A T H > S+ 0 0 50 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 110.0 47.0 -63.0 -43.5 40.6 14.4 2.4 334 339 A F H > S+ 0 0 120 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.854 111.3 52.7 -64.9 -34.3 40.4 17.8 0.7 335 340 A L H X S+ 0 0 10 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.847 105.9 53.9 -68.7 -34.7 36.7 17.8 1.5 336 341 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.865 105.6 54.2 -64.5 -37.2 37.6 17.0 5.1 337 342 A F H X S+ 0 0 36 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.882 107.4 48.9 -64.5 -40.7 39.8 20.1 5.1 338 343 A L H X S+ 0 0 19 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.892 111.5 50.6 -66.7 -39.6 37.0 22.4 3.9 339 344 A W H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.955 115.7 40.0 -61.1 -53.3 34.7 21.0 6.6 340 345 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.824 114.9 53.6 -67.4 -32.7 37.2 21.5 9.4 341 346 A F H X S+ 0 0 54 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.890 108.1 50.0 -69.0 -40.1 38.2 24.9 7.9 342 347 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.944 111.1 49.7 -58.5 -48.8 34.5 25.9 7.9 343 348 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.889 108.0 54.3 -57.5 -41.3 34.3 24.8 11.6 344 349 A F H X S+ 0 0 8 -4,-2.2 4,-2.2 -233,-0.2 -1,-0.2 0.896 111.0 43.4 -63.6 -42.6 37.4 26.8 12.4 345 350 A F H X S+ 0 0 24 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.897 113.2 53.1 -67.9 -40.3 36.1 30.1 11.0 346 351 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.920 115.7 39.9 -59.4 -46.5 32.7 29.4 12.6 347 352 A G H X S+ 0 0 0 -4,-2.8 4,-2.7 -327,-0.2 -1,-0.2 0.843 110.5 58.0 -72.3 -35.2 34.3 28.9 16.0 348 353 A L H X S+ 0 0 1 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.890 106.1 49.9 -62.5 -40.4 36.8 31.8 15.5 349 354 A T H < S+ 0 0 5 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.790 115.1 44.2 -69.3 -27.9 34.0 34.3 15.0 350 355 A S H X S+ 0 0 0 -4,-0.8 4,-1.3 -5,-0.2 3,-0.3 0.870 107.8 55.8 -82.8 -41.5 32.3 33.0 18.2 351 356 A S H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.2 0.870 102.4 55.3 -63.4 -40.2 35.2 32.8 20.5 352 357 A I H X S+ 0 0 3 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.848 108.2 51.1 -61.9 -32.2 36.3 36.4 20.0 353 358 A A H 4 S+ 0 0 0 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.794 106.0 55.6 -71.5 -30.7 32.7 37.3 21.1 354 359 A Q H < S+ 0 0 1 -4,-1.3 4,-0.3 -3,-0.2 -253,-0.2 0.799 112.1 41.4 -72.3 -29.9 33.1 35.1 24.2 355 360 A M H X S+ 0 0 2 -4,-1.5 4,-1.9 1,-0.1 3,-0.2 0.637 96.4 79.1 -92.8 -17.1 36.2 37.0 25.3 356 361 A Q H X S+ 0 0 4 -4,-1.0 4,-3.6 1,-0.2 5,-0.2 0.839 84.8 59.6 -64.4 -37.1 35.0 40.5 24.5 357 362 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.916 108.6 44.5 -58.6 -44.4 32.8 40.9 27.6 358 363 A M H > S+ 0 0 3 -4,-0.3 4,-2.3 -3,-0.2 -2,-0.2 0.931 115.8 48.6 -62.3 -45.8 35.8 40.4 29.9 359 364 A I H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.901 111.7 49.4 -59.4 -43.8 37.8 42.7 27.7 360 365 A A H X S+ 0 0 0 -4,-3.6 4,-3.9 1,-0.2 5,-0.3 0.912 109.3 52.4 -62.7 -43.9 35.0 45.3 27.7 361 366 A F H X>S+ 0 0 2 -4,-2.5 4,-3.2 2,-0.2 5,-1.0 0.916 109.5 47.9 -59.8 -46.4 34.8 45.1 31.5 362 367 A L H X5S+ 0 0 7 -4,-2.3 6,-2.3 3,-0.2 4,-0.6 0.909 119.3 40.0 -63.1 -42.9 38.5 45.8 32.1 363 368 A E H X5S+ 0 0 24 -4,-2.0 4,-0.6 4,-0.3 -2,-0.2 0.960 123.1 40.0 -66.6 -53.3 38.4 48.7 29.6 364 369 A D H <5S+ 0 0 18 -4,-3.9 -3,-0.2 -5,-0.2 -2,-0.2 0.884 130.8 21.2 -66.2 -43.8 35.0 50.1 30.8 365 370 A E H <5S+ 0 0 12 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.830 132.4 33.7-102.5 -38.8 35.3 49.6 34.6 366 371 A L H < - 0 0 58 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.264 30.0-111.5 -67.3 160.9 43.9 49.9 27.6 370 375 A R H > S+ 0 0 92 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.901 116.5 54.7 -63.3 -42.2 42.8 47.5 24.9 371 376 A K H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.957 115.0 38.9 -54.7 -54.0 46.3 45.9 24.6 372 377 A H H > S+ 0 0 98 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.899 115.8 52.1 -64.6 -43.3 46.4 45.1 28.3 373 378 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.902 114.4 42.7 -60.5 -43.3 42.7 44.1 28.5 374 379 A V H X S+ 0 0 1 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.899 116.1 47.6 -70.3 -42.6 43.1 41.7 25.6 375 380 A L H X S+ 0 0 72 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.896 113.5 45.6 -69.5 -42.6 46.4 40.3 26.8 376 381 A W H X S+ 0 0 160 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.881 113.6 50.8 -67.1 -38.0 45.4 39.7 30.4 377 382 A T H X S+ 0 0 1 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.902 109.0 50.9 -65.1 -41.6 42.1 38.2 29.2 378 383 A A H X S+ 0 0 13 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.894 108.9 53.0 -60.1 -40.5 44.0 35.9 26.9 379 384 A A H X S+ 0 0 44 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.890 109.0 47.1 -63.9 -43.0 46.2 34.8 29.8 380 385 A I H X S+ 0 0 31 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.913 116.6 44.4 -66.2 -42.6 43.3 33.9 32.0 381 386 A V H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.904 115.6 47.1 -68.2 -43.5 41.6 31.9 29.2 382 387 A F H < S+ 0 0 52 -4,-3.0 4,-0.3 -5,-0.2 -2,-0.2 0.945 115.9 44.0 -63.5 -50.4 44.9 30.2 28.2 383 388 A F H >< S+ 0 0 137 -4,-2.5 3,-1.4 1,-0.2 4,-0.3 0.925 114.8 49.0 -60.1 -47.2 45.9 29.3 31.7 384 389 A S H >X S+ 0 0 2 -4,-2.2 3,-1.5 -5,-0.3 4,-0.6 0.804 98.1 70.0 -63.8 -30.1 42.4 28.1 32.6 385 390 A A H 3X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.3 -1,-0.3 0.599 79.5 78.6 -67.9 -11.2 42.2 26.0 29.5 386 391 A H H <> S+ 0 0 49 -3,-1.4 4,-2.4 -4,-0.3 5,-0.3 0.820 87.6 56.6 -67.4 -31.3 44.7 23.6 30.9 387 392 A L H <> S+ 0 0 43 -3,-1.5 4,-2.4 -4,-0.3 7,-0.3 0.919 109.5 45.8 -64.3 -42.8 42.1 22.0 33.1 388 393 A V H < S+ 0 0 4 -4,-0.6 7,-0.3 1,-0.2 -2,-0.2 0.791 115.2 48.6 -68.8 -28.9 40.1 21.2 30.0 389 394 A M H < S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.844 126.0 22.5 -80.4 -35.3 43.2 20.0 28.2 390 395 A F H < S+ 0 0 79 -4,-2.4 -233,-3.0 -5,-0.1 2,-0.6 0.655 108.1 74.3-110.3 -20.6 44.5 17.6 30.9 391 396 A L B >< S-A 156 0A 13 -4,-2.4 3,-1.5 -5,-0.3 4,-0.5 -0.867 78.6-127.4-105.2 117.9 41.5 16.7 33.1 392 397 A N T 3 S+ 0 0 49 -237,-1.9 -3,-0.1 -2,-0.6 -2,-0.0 -0.356 89.5 6.0 -64.4 131.0 39.0 14.3 31.6 393 398 A K T 3> S+ 0 0 115 -5,-0.2 4,-1.6 -2,-0.1 -1,-0.2 0.400 92.5 115.3 78.4 -1.5 35.4 15.4 31.7 394 399 A S H <> S+ 0 0 2 -3,-1.5 4,-2.0 -7,-0.3 5,-0.2 0.891 74.2 55.8 -61.2 -39.9 36.3 18.9 32.9 395 400 A L H > S+ 0 0 23 -4,-0.5 4,-2.4 -7,-0.3 -1,-0.2 0.925 105.0 51.1 -54.8 -50.0 35.0 20.3 29.6 396 401 A D H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 107.8 53.2 -59.1 -40.2 31.6 18.7 30.2 397 402 A E H X S+ 0 0 22 -4,-1.6 4,-2.0 1,-0.2 5,-0.2 0.910 110.7 45.3 -64.8 -44.1 31.4 20.2 33.7 398 403 A M H X>S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.9 0.885 113.2 51.8 -65.4 -39.0 32.1 23.7 32.4 399 404 A D H X>S+ 0 0 39 -4,-2.4 4,-0.7 3,-0.2 5,-0.6 0.883 110.3 48.2 -65.7 -39.9 29.6 23.2 29.6 400 405 A F H <>S+ 0 0 45 -4,-2.4 5,-2.6 3,-0.2 4,-0.5 0.919 118.8 37.4 -67.8 -44.5 26.8 22.0 31.8 401 406 A W H <>S+ 0 0 58 -4,-2.0 5,-2.0 3,-0.2 -2,-0.2 0.904 134.4 20.1 -77.1 -43.2 27.2 24.8 34.4 402 407 A A H <5S+ 0 0 0 -4,-2.5 5,-0.4 -5,-0.2 -3,-0.2 0.836 130.2 42.0 -95.3 -39.7 28.0 27.8 32.1 403 408 A G T < S+ 0 0 1 -5,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.887 107.9 50.7 -67.8 -40.9 22.5 30.7 30.5 408 413 A V H X S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.2 -1,-0.2 0.907 113.4 46.9 -63.3 -42.0 18.8 29.9 31.2 409 414 A F H X S+ 0 0 107 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.926 114.9 46.7 -61.1 -45.8 19.1 31.4 34.6 410 415 A F H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.869 109.0 54.1 -69.1 -37.9 20.8 34.5 33.2 411 416 A G H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.934 113.2 42.4 -60.0 -48.4 18.4 34.9 30.4 412 417 A L H X S+ 0 0 28 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.882 113.4 53.2 -64.3 -40.5 15.4 35.0 32.8 413 418 A T H X S+ 0 0 33 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.909 111.6 44.0 -64.1 -44.0 17.2 37.2 35.3 414 419 A E H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.831 112.9 53.1 -70.4 -32.9 18.1 39.8 32.7 415 420 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 5,-0.4 0.916 111.7 45.1 -67.6 -43.4 14.6 39.7 31.3 416 421 A I H X>S+ 0 0 42 -4,-2.6 5,-1.9 2,-0.2 4,-1.0 0.937 115.0 47.1 -65.4 -48.6 13.1 40.2 34.7 417 422 A I H <>S+ 0 0 3 -4,-2.5 5,-2.0 1,-0.2 -2,-0.2 0.916 115.9 45.2 -58.6 -45.0 15.4 43.1 35.6 418 423 A F H <5S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.858 129.5 21.3 -70.9 -36.1 14.9 44.8 32.2 419 424 A F H X5S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.2 8,-0.2 0.916 130.5 30.1 -99.2 -60.8 11.1 44.4 32.2 420 425 A W T <5S+ 0 0 134 -4,-1.0 4,-0.2 -5,-0.4 -3,-0.2 0.976 131.3 30.1 -66.7 -59.5 9.6 43.9 35.7 421 426 A I T 4 S+ 0 0 7 1,-0.2 4,-1.9 -4,-0.2 5,-0.1 0.878 111.1 49.4 -58.3 -43.1 8.0 47.1 31.0 425 430 A D H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 110.1 48.5 -66.8 -46.3 7.1 50.4 29.3 426 431 A K H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 113.0 50.6 -59.3 -37.3 10.5 52.0 29.7 427 432 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.854 108.1 52.8 -68.4 -35.2 12.0 48.7 28.3 428 433 A W H X S+ 0 0 48 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.925 110.8 45.0 -66.9 -46.6 9.6 48.8 25.4 429 434 A E H X S+ 0 0 130 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.894 112.2 53.6 -62.2 -40.9 10.6 52.4 24.4 430 435 A E H < S+ 0 0 19 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.854 113.6 42.0 -64.8 -36.3 14.3 51.4 24.8 431 436 A I H < S+ 0 0 0 -4,-1.8 -161,-0.4 1,-0.1 -160,-0.2 0.968 120.8 38.6 -73.9 -55.6 14.0 48.5 22.5 432 437 A N H >< S+ 0 0 14 -4,-2.6 3,-2.3 -5,-0.2 -2,-0.2 0.801 90.0 110.9 -67.0 -31.4 11.8 50.0 19.8 433 438 A R T 3< S+ 0 0 73 -4,-2.4 -163,-0.3 -5,-0.3 -162,-0.1 -0.138 88.6 6.1 -52.8 133.7 13.5 53.4 19.8 434 439 A G T 3 S+ 0 0 40 1,-0.2 -1,-0.3 -165,-0.1 -165,-0.2 0.417 94.4 149.1 76.6 -1.6 15.6 54.2 16.8 435 440 A G < - 0 0 24 -3,-2.3 -1,-0.2 -166,-0.2 3,-0.1 -0.419 52.7-142.2 -72.3 135.6 14.4 51.0 15.0 436 441 A I S S+ 0 0 97 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.876 97.2 19.3 -57.8 -38.4 14.0 50.9 11.3 437 442 A I S S- 0 0 76 -5,-0.0 -1,-0.2 -3,-0.0 -165,-0.2 -0.984 89.2-116.3-132.6 146.9 11.0 48.8 12.0 438 443 A K - 0 0 173 -2,-0.3 3,-0.1 -3,-0.1 -6,-0.0 -0.477 32.0-106.6 -79.3 150.3 8.9 48.5 15.2 439 444 A V - 0 0 7 -2,-0.1 5,-0.1 -11,-0.1 -1,-0.1 -0.591 48.7 -95.4 -72.4 134.3 8.6 45.3 17.2 440 445 A P >> - 0 0 67 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.233 29.6-122.3 -52.5 138.1 5.2 43.7 16.7 441 446 A R H >> S+ 0 0 193 1,-0.3 3,-0.7 2,-0.2 4,-0.7 0.750 108.6 66.7 -56.0 -27.3 2.8 44.7 19.5 442 447 A I H >> S+ 0 0 111 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.842 91.3 61.9 -64.1 -33.4 2.2 41.0 20.3 443 448 A Y H <> S+ 0 0 33 -3,-1.7 4,-3.0 1,-0.2 5,-0.3 0.752 89.3 68.5 -68.9 -25.3 5.9 40.6 21.5 444 449 A Y H S+ 0 0 108 -4,-0.7 4,-2.2 -3,-0.7 5,-1.3 0.824 112.5 53.5 -75.7 -33.5 3.1 40.6 25.9 446 451 A V H <>S+ 0 0 11 -4,-1.4 5,-3.6 3,-0.2 -2,-0.2 0.960 112.9 43.9 -63.3 -51.4 5.4 37.7 25.1 447 452 A M H <5S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.917 119.4 42.0 -59.0 -47.1 8.4 39.4 26.7 448 453 A R H <5S+ 0 0 80 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.809 138.3 0.3 -74.0 -30.8 6.4 40.6 29.8 449 454 A Y T X5S+ 0 0 117 -4,-2.2 4,-1.9 -5,-0.1 5,-0.2 0.742 125.8 46.9-125.0 -57.5 4.4 37.4 30.4 450 455 A I H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.897 117.7 46.6 -65.9 -39.4 9.4 34.5 31.7 453 458 A A H X S+ 0 0 59 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.857 112.8 51.3 -67.8 -36.4 6.5 32.1 32.6 454 459 A F H X S+ 0 0 47 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.912 114.5 42.0 -65.7 -44.7 7.8 29.7 29.9 455 460 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.868 110.4 56.0 -72.5 -39.2 11.4 29.8 31.2 456 461 A A H X S+ 0 0 43 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.928 110.3 45.2 -59.6 -47.2 10.4 29.6 34.9 457 462 A V H X S+ 0 0 89 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.933 111.2 53.6 -60.5 -47.0 8.5 26.4 34.3 458 463 A L H X S+ 0 0 15 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.899 109.6 47.6 -56.3 -44.6 11.3 24.9 32.2 459 464 A L H X S+ 0 0 18 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.882 111.5 51.0 -64.8 -39.0 13.8 25.5 34.9 460 465 A V H X S+ 0 0 68 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.943 113.3 43.6 -64.2 -49.1 11.5 24.0 37.5 461 466 A V H X S+ 0 0 44 -4,-2.9 4,-1.3 1,-0.2 5,-0.3 0.894 114.4 52.4 -60.2 -40.8 10.9 20.9 35.4 462 467 A W H X>S+ 0 0 19 -4,-2.4 4,-2.4 -5,-0.3 5,-0.5 0.925 108.5 50.6 -58.9 -48.0 14.7 20.9 34.7 463 468 A A H X5S+ 0 0 30 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.898 103.9 58.6 -58.6 -45.8 15.5 21.1 38.4 464 469 A R H <5S+ 0 0 172 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 118.9 25.4 -55.6 -43.3 13.2 18.1 39.4 465 470 A E H <5S+ 0 0 119 -4,-1.3 4,-0.5 -3,-0.3 -1,-0.2 0.884 130.0 37.8 -94.2 -43.5 14.8 15.5 37.3 466 471 A Y H >X5S+ 0 0 127 -4,-2.4 4,-1.1 -5,-0.3 3,-0.7 0.823 103.3 68.9 -80.4 -33.7 18.4 16.8 36.8 467 472 A I T 3< S+ 0 0 134 -3,-0.7 4,-1.2 -4,-0.5 3,-0.8 0.853 82.3 93.3 -62.3 -41.2 21.9 14.0 39.8 470 475 A I T 3< S- 0 0 50 -4,-1.1 4,-0.1 -3,-0.5 -4,-0.0 -0.400 114.4 -13.2 -61.9 112.0 24.2 16.9 40.8 471 476 A M T 34 S+ 0 0 109 -2,-0.4 -1,-0.3 1,-0.1 3,-0.2 0.252 113.4 99.8 79.0 -13.7 26.4 15.6 43.6 472 477 A E T <4 S- 0 0 122 -3,-0.8 2,-0.3 -4,-0.5 -2,-0.2 0.992 104.0 -11.0 -61.2 -60.6 24.2 12.5 44.0 473 478 A E S < S+ 0 0 149 -4,-1.2 2,-0.3 -5,-0.1 -1,-0.3 -0.888 87.9 115.8-148.5 117.9 26.7 10.4 42.0 474 479 A T - 0 0 68 -2,-0.3 2,-0.1 -3,-0.2 -4,-0.0 -0.965 65.8 -71.9-166.0 163.6 29.6 11.5 39.9 475 480 A H > - 0 0 95 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.367 40.5-125.5 -65.7 143.0 33.4 11.2 39.8 476 481 A W T > S+ 0 0 170 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.732 103.3 75.3 -62.8 -22.7 35.2 13.2 42.5 477 482 A T T >> S+ 0 0 6 1,-0.3 4,-0.9 2,-0.2 3,-0.8 0.692 78.1 73.8 -65.0 -19.4 37.3 14.9 39.8 478 483 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