==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-JUN-12 3VU8 . COMPND 2 MOLECULE: METHIONINE--TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.KONNO,M.KATO-MURAYAMA,S.TOMA-FUKAI,E.UCHIKAWA,O.NUREKI,S.Y . 500 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 4.4 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 1 1 1 3 2 4 2 0 0 0 1 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 1 0 0 1 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 3 1 0 0 0 0 0 0 1 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 1 1 0 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 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 1 A M 0 0 215 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -89.8 38.5 7.2 23.9 2 2 A E + 0 0 147 1,-0.2 2,-0.5 39,-0.0 39,-0.1 0.593 360.0 2.8 -75.1-132.8 36.5 5.6 26.8 3 3 A K S S+ 0 0 78 37,-0.2 39,-2.3 36,-0.0 2,-0.4 -0.434 74.6 168.0 -61.2 108.3 36.1 7.0 30.3 4 4 A V E -a 42 0A 6 -2,-0.5 2,-0.4 37,-0.2 39,-0.2 -0.987 14.5-171.1-129.3 136.5 37.9 10.4 30.4 5 5 A F E +a 43 0A 0 37,-2.7 39,-2.0 -2,-0.4 2,-0.4 -0.985 5.1 177.6-128.6 136.9 37.8 13.0 33.1 6 6 A Y E +ab 44 253A 0 246,-0.6 248,-0.9 -2,-0.4 2,-0.3 -0.984 5.4 171.1-141.2 126.4 39.3 16.6 33.1 7 7 A V E -ab 45 254A 0 37,-2.2 39,-2.6 -2,-0.4 2,-0.3 -0.983 6.5-173.2-136.4 145.4 38.9 19.2 35.8 8 8 A T E -ab 46 255A 0 246,-2.0 248,-2.1 -2,-0.3 39,-0.2 -0.934 13.0-150.0-134.9 158.8 40.5 22.6 36.3 9 9 A T E - 0 0 1 37,-1.4 248,-0.1 -2,-0.3 13,-0.0 -0.806 43.9 -88.3-117.5 161.8 40.6 25.2 39.1 10 10 A P E - 0 0 12 0, 0.0 38,-0.6 0, 0.0 2,-0.6 -0.195 44.6-108.2 -64.0 172.3 41.0 28.8 38.3 11 11 A I E -a 48 0A 16 36,-0.2 38,-0.3 38,-0.1 2,-0.2 -0.923 41.2-131.1-100.3 127.7 44.6 30.1 38.0 12 12 A Y E -a 49 0A 15 36,-2.1 38,-3.4 -2,-0.6 2,-0.3 -0.557 21.9 -95.9 -86.3 144.7 45.2 32.2 41.1 13 13 A Y E > -a 50 0A 86 -2,-0.2 3,-2.5 36,-0.2 38,-0.2 -0.389 37.2-139.0 -55.7 113.0 46.8 35.6 41.2 14 14 A V T 3 S+ 0 0 0 36,-1.9 63,-0.2 -2,-0.3 -1,-0.2 0.706 99.4 49.0 -49.6 -30.8 50.4 34.7 42.0 15 15 A N T 3 S+ 0 0 47 35,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.215 89.2 105.5 -97.9 14.9 50.9 37.6 44.5 16 16 A A S < S- 0 0 25 -3,-2.5 -4,-0.0 58,-0.1 3,-0.0 -0.800 78.7-116.1 -95.4 135.8 47.6 36.7 46.3 17 17 A E - 0 0 160 -2,-0.4 -2,-0.1 1,-0.1 -4,-0.1 -0.587 37.9-105.6 -73.9 121.0 48.0 35.0 49.7 18 18 A P + 0 0 24 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.221 53.8 173.7 -49.1 125.1 46.5 31.5 49.6 19 19 A H > - 0 0 96 288,-0.1 4,-3.1 289,-0.1 5,-0.2 -0.692 47.8 -80.8-128.8-178.7 43.2 31.5 51.4 20 20 A L H > S+ 0 0 6 286,-0.3 4,-3.3 1,-0.2 5,-0.2 0.836 124.9 54.0 -50.3 -41.5 40.1 29.5 52.3 21 21 A G H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 111.8 42.6 -62.0 -50.2 38.5 30.2 48.9 22 22 A H H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.968 116.7 50.2 -59.1 -51.4 41.6 29.0 47.0 23 23 A A H X S+ 0 0 1 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.901 109.2 50.2 -52.3 -50.7 41.8 26.0 49.3 24 24 A Y H X S+ 0 0 9 -4,-3.3 4,-2.5 2,-0.2 3,-0.5 0.959 111.3 46.0 -54.6 -60.0 38.2 25.0 49.0 25 25 A T H X S+ 0 0 14 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.894 114.3 47.9 -51.6 -48.5 38.0 25.0 45.2 26 26 A T H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.797 111.4 51.5 -64.7 -29.7 41.3 23.1 44.8 27 27 A V H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.5 -2,-0.2 0.887 112.5 44.8 -74.5 -42.3 40.1 20.5 47.4 28 28 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 3,-0.5 0.971 113.1 50.3 -64.8 -51.8 36.8 20.0 45.6 29 29 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.3 -1,-0.2 0.866 111.9 50.0 -53.1 -38.7 38.5 19.8 42.2 30 30 A D H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.3 0.814 105.5 54.6 -71.0 -33.7 40.9 17.2 43.8 31 31 A F H X S+ 0 0 1 -4,-1.7 4,-2.2 -3,-0.5 -2,-0.2 0.922 110.3 48.7 -64.6 -41.9 38.1 15.1 45.2 32 32 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.884 113.2 44.7 -63.3 -45.9 36.7 14.9 41.7 33 33 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.912 115.9 48.2 -66.8 -42.4 40.0 13.9 40.1 34 34 A R H X S+ 0 0 56 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.852 110.9 51.5 -65.6 -36.7 40.7 11.4 42.8 35 35 A W H X S+ 0 0 2 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.931 113.1 42.7 -67.0 -48.0 37.2 10.0 42.6 36 36 A H H <>S+ 0 0 1 -4,-2.1 5,-2.6 2,-0.2 -2,-0.2 0.857 110.1 55.8 -70.3 -33.7 37.3 9.4 38.8 37 37 A R H ><5S+ 0 0 78 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.911 108.8 49.1 -62.3 -40.2 40.9 8.0 38.9 38 38 A L H 3<5S+ 0 0 25 -4,-1.5 437,-2.4 1,-0.3 438,-0.5 0.774 107.1 58.3 -66.5 -28.1 39.6 5.5 41.4 39 39 A D T 3<5S- 0 0 16 -4,-1.1 -1,-0.3 435,-0.2 -2,-0.2 0.057 126.0 -97.5 -92.5 23.1 36.7 4.8 39.0 40 40 A G T < 5S+ 0 0 55 -3,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.665 74.3 148.1 72.7 19.7 39.0 3.8 36.1 41 41 A Y < - 0 0 48 -5,-2.6 2,-0.8 -6,-0.1 -37,-0.2 -0.599 55.3-123.8 -88.4 148.3 39.0 7.2 34.4 42 42 A R E -a 4 0A 126 -39,-2.3 -37,-2.7 -2,-0.2 2,-0.4 -0.840 49.7-163.4 -85.1 114.0 41.9 8.6 32.4 43 43 A T E -a 5 0A 16 -2,-0.8 2,-0.4 -39,-0.2 -37,-0.2 -0.850 30.6-175.4-117.5 143.2 42.2 11.8 34.4 44 44 A F E -a 6 0A 32 -39,-2.0 -37,-2.2 -2,-0.4 2,-0.5 -0.975 8.1-175.7-132.5 117.9 43.8 15.2 34.0 45 45 A F E -a 7 0A 0 -2,-0.4 45,-3.0 -39,-0.2 46,-1.3 -0.960 10.0-173.5-115.6 117.7 43.6 17.7 36.9 46 46 A L E +ac 8 91A 0 -39,-2.6 -37,-1.4 -2,-0.5 2,-0.3 -0.892 15.4 153.4-119.4 144.1 45.0 21.2 36.3 47 47 A T E + c 0 92A 0 44,-1.3 46,-2.1 -2,-0.4 2,-0.3 -0.834 14.5 143.7-146.5 179.2 45.6 24.2 38.6 48 48 A G E -ac 11 93A 0 -38,-0.6 -36,-2.1 44,-0.3 2,-0.3 -0.992 37.6 -73.4 169.0-168.1 48.1 27.1 38.4 49 49 A T E -ac 12 94A 0 44,-1.7 46,-1.4 -38,-0.3 2,-1.0 -0.954 21.3-131.9-130.5 146.5 48.9 30.8 38.9 50 50 A D E +a 13 0A 39 -38,-3.4 -36,-1.9 -2,-0.3 -35,-0.3 -0.793 36.1 169.8 -91.9 96.6 48.1 34.2 37.2 51 51 A E + 0 0 0 -2,-1.0 -1,-0.1 -38,-0.2 2,-0.1 0.537 38.0 79.4 -94.4 -7.2 51.6 35.7 37.0 52 52 A H + 0 0 25 4,-0.1 161,-0.2 174,-0.1 4,-0.2 -0.264 48.8 85.4 -96.5-177.1 51.4 38.8 34.8 53 53 A G S S- 0 0 12 159,-1.8 4,-0.5 1,-0.1 159,-0.1 -0.526 72.5 -91.7 119.6 174.4 50.3 42.4 35.3 54 54 A E S > S+ 0 0 8 2,-0.2 4,-3.4 -2,-0.2 5,-0.2 0.770 116.8 56.6 -96.9 -31.7 51.7 45.7 36.5 55 55 A T H > S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -2,-0.1 0.882 113.2 43.0 -67.8 -35.9 50.7 45.5 40.1 56 56 A V H > S+ 0 0 1 2,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.890 113.9 54.4 -71.7 -39.3 52.6 42.3 40.4 57 57 A Y H > S+ 0 0 58 -4,-0.5 4,-1.4 1,-0.2 3,-0.2 0.919 108.2 46.6 -59.2 -47.5 55.3 44.1 38.3 58 58 A R H X S+ 0 0 85 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.883 107.5 57.7 -62.7 -40.8 55.5 47.0 40.7 59 59 A A H X S+ 0 0 33 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.829 106.7 48.2 -58.7 -37.4 55.7 44.7 43.8 60 60 A A H <>S+ 0 0 0 -4,-1.6 5,-3.0 -3,-0.2 -1,-0.2 0.840 109.8 53.7 -72.4 -34.4 58.7 42.9 42.4 61 61 A Q H ><5S+ 0 0 110 -4,-1.4 3,-1.9 3,-0.2 -2,-0.2 0.823 96.7 64.9 -68.3 -38.1 60.4 46.3 41.7 62 62 A A H 3<5S+ 0 0 93 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.869 106.6 43.0 -54.4 -41.1 60.0 47.6 45.2 63 63 A A T 3<5S- 0 0 67 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.287 120.7-110.8 -89.1 8.9 62.3 44.8 46.5 64 64 A G T < 5S+ 0 0 70 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.843 71.1 145.9 65.3 33.5 64.7 45.5 43.6 65 65 A E < - 0 0 57 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.716 57.6-109.6-108.0 157.4 63.8 42.1 42.1 66 66 A D >> - 0 0 89 -2,-0.3 4,-2.4 1,-0.1 3,-0.8 -0.660 31.8-128.0 -78.1 127.8 63.4 40.8 38.5 67 67 A P H 3> S+ 0 0 19 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.834 107.7 52.2 -44.7 -42.0 59.7 40.2 37.9 68 68 A K H 3> S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.852 111.2 45.2 -67.3 -37.5 60.4 36.6 36.7 69 69 A A H <> S+ 0 0 46 -3,-0.8 4,-1.2 2,-0.2 -1,-0.2 0.858 110.7 55.6 -73.7 -34.3 62.4 35.7 39.8 70 70 A F H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.814 111.5 43.0 -66.3 -32.9 59.8 37.3 42.1 71 71 A V H X S+ 0 0 0 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.2 0.755 105.6 60.2 -86.0 -26.6 57.0 35.1 40.6 72 72 A D H < S+ 0 0 70 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.845 115.6 39.9 -65.7 -28.6 59.1 32.0 40.6 73 73 A R H >< S+ 0 0 103 -4,-1.2 3,-1.4 2,-0.1 4,-0.2 0.938 115.6 42.3 -84.9 -57.8 59.2 32.6 44.4 74 74 A V H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.3 4,-0.3 0.635 106.9 64.7 -70.3 -11.8 55.7 33.8 45.4 75 75 A S T >X S+ 0 0 1 -4,-1.2 4,-1.1 1,-0.2 3,-0.6 0.648 88.5 70.1 -82.0 -15.2 54.1 31.2 43.2 76 76 A G H <> S+ 0 0 16 -3,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.629 83.4 72.3 -74.8 -12.8 55.7 28.6 45.5 77 77 A R H <> S+ 0 0 97 -3,-0.6 4,-1.5 -4,-0.2 -1,-0.2 0.851 100.9 41.8 -68.5 -37.1 53.2 29.8 48.1 78 78 A F H <> S+ 0 0 0 -3,-0.6 4,-1.6 -4,-0.3 -1,-0.2 0.811 113.1 53.9 -79.0 -34.0 50.4 28.0 46.3 79 79 A K H X S+ 0 0 80 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.877 109.8 46.9 -67.4 -39.2 52.5 25.0 45.6 80 80 A R H X S+ 0 0 149 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.915 110.5 53.0 -68.6 -41.9 53.4 24.6 49.2 81 81 A A H X S+ 0 0 5 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.834 109.0 49.0 -61.8 -34.2 49.8 25.0 50.2 82 82 A W H <>S+ 0 0 0 -4,-1.6 5,-3.1 2,-0.2 -1,-0.2 0.815 110.6 50.5 -77.0 -30.6 48.7 22.3 47.8 83 83 A D H ><5S+ 0 0 106 -4,-1.5 3,-2.2 3,-0.2 -2,-0.2 0.974 112.6 47.2 -65.2 -55.0 51.4 20.0 49.1 84 84 A L H 3<5S+ 0 0 90 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.905 112.8 49.1 -50.1 -48.1 50.1 20.7 52.6 85 85 A L T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.337 112.5-120.0 -77.2 6.1 46.5 20.1 51.5 86 86 A G T < 5 + 0 0 13 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.923 49.8 170.4 54.9 47.0 47.4 16.8 49.9 87 87 A I < - 0 0 13 -5,-3.1 2,-0.8 -6,-0.1 -1,-0.2 -0.811 22.1-160.2 -93.1 122.9 46.3 18.0 46.4 88 88 A A + 0 0 33 -2,-0.5 -43,-0.1 -58,-0.1 2,-0.1 -0.603 23.2 165.8-105.1 73.6 47.3 15.6 43.6 89 89 A Y - 0 0 61 -2,-0.8 -43,-0.2 1,-0.1 3,-0.1 -0.327 37.0-139.3 -79.9 167.2 47.2 17.7 40.5 90 90 A D S S+ 0 0 74 -45,-3.0 2,-0.3 1,-0.3 -44,-0.2 0.711 81.9 8.7 -97.1 -25.4 48.7 16.5 37.2 91 91 A D E -c 46 0A 38 -46,-1.3 -44,-1.3 2,-0.0 2,-0.4 -0.986 52.1-152.2-154.4 156.2 50.1 19.9 36.2 92 92 A F E -c 47 0A 12 -2,-0.3 2,-0.4 -46,-0.2 -44,-0.3 -0.942 23.7-157.4-132.8 102.3 50.6 23.4 37.6 93 93 A I E -c 48 0A 0 -46,-2.1 -44,-1.7 -2,-0.4 2,-0.4 -0.719 4.1-163.0 -87.1 134.4 50.6 25.9 34.7 94 94 A R E > -c 49 0A 33 -2,-0.4 3,-2.0 -46,-0.2 6,-0.2 -0.956 22.5-132.1-115.0 134.1 52.3 29.2 35.2 95 95 A T T 3 S+ 0 0 1 -46,-1.4 -45,-0.1 -2,-0.4 -1,-0.1 0.613 103.6 63.1 -66.1 -7.2 51.5 32.0 32.8 96 96 A T T 3 S+ 0 0 19 4,-0.1 -1,-0.3 -28,-0.1 5,-0.0 0.517 77.6 113.1 -90.6 -8.4 55.2 32.8 32.4 97 97 A E S X> S- 0 0 51 -3,-2.0 4,-1.8 1,-0.1 3,-0.6 -0.346 71.9-130.7 -64.2 147.4 55.9 29.4 30.8 98 98 A E H 3> S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.832 107.0 60.2 -68.2 -35.2 56.8 29.4 27.1 99 99 A R H 3> S+ 0 0 56 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.731 108.8 47.6 -65.7 -19.2 54.3 26.8 26.2 100 100 A H H <> S+ 0 0 0 -3,-0.6 4,-2.3 -6,-0.2 -2,-0.2 0.874 108.7 49.9 -87.0 -43.2 51.7 29.2 27.5 101 101 A K H X S+ 0 0 55 -4,-1.8 4,-2.3 1,-0.2 5,-0.3 0.910 108.4 55.8 -61.6 -40.9 53.0 32.3 25.7 102 102 A K H X S+ 0 0 93 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.876 110.2 43.6 -59.4 -40.9 53.0 30.3 22.5 103 103 A V H X S+ 0 0 0 -4,-0.8 4,-2.9 2,-0.2 5,-0.3 0.883 111.3 54.6 -72.7 -39.6 49.4 29.3 22.7 104 104 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.968 114.6 38.6 -57.6 -55.6 48.2 32.8 23.8 105 105 A Q H X S+ 0 0 38 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.778 114.5 57.4 -66.6 -27.8 49.8 34.5 20.8 106 106 A L H X S+ 0 0 59 -4,-1.2 4,-1.2 -5,-0.3 -1,-0.2 0.925 112.2 38.8 -67.6 -48.5 48.7 31.6 18.6 107 107 A V H X S+ 0 0 2 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.850 114.8 53.9 -72.2 -36.0 45.1 32.0 19.5 108 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.887 108.5 49.8 -63.8 -41.2 45.3 35.8 19.4 109 109 A K H X S+ 0 0 107 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.810 109.9 52.9 -66.2 -31.9 46.8 35.6 15.9 110 110 A K H X S+ 0 0 89 -4,-1.2 4,-0.8 2,-0.2 -2,-0.2 0.958 112.9 41.2 -67.1 -53.4 43.9 33.3 15.0 111 111 A V H X>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-0.5 0.833 115.5 52.9 -65.1 -34.4 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174 A I H < S+ 0 0 1 -4,-2.2 6,-0.2 2,-0.2 -1,-0.2 0.828 113.1 52.6 -69.8 -31.4 23.2 27.9 27.0 175 175 A Q H < S+ 0 0 90 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.905 113.8 43.0 -69.3 -40.5 19.4 27.8 26.5 176 176 A E H < S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.722 117.8 48.0 -76.4 -24.4 19.9 24.6 24.4 177 177 A N >< + 0 0 59 -4,-1.5 3,-1.8 -5,-0.2 4,-0.3 -0.679 68.6 174.2-119.2 75.7 22.4 23.2 26.8 178 178 A P T 3 S+ 0 0 60 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.716 75.2 54.3 -52.8 -30.4 20.7 23.6 30.3 179 179 A D T 3 S+ 0 0 97 1,-0.2 105,-0.2 8,-0.0 -5,-0.1 0.388 79.6 96.3 -89.8 3.5 23.4 21.8 32.3 180 180 A L S < S+ 0 0 6 -3,-1.8 104,-3.5 -6,-0.2 2,-0.8 0.940 86.1 43.7 -55.0 -57.1 26.3 23.9 31.0 181 181 A I B S-d 284 0A 0 -4,-0.3 6,-0.2 -3,-0.3 -1,-0.2 -0.872 92.2-149.5 -94.8 108.1 26.3 26.2 34.0 182 182 A R S S+ 0 0 30 102,-3.2 -1,-0.2 -2,-0.8 5,-0.2 0.945 73.6 53.9 -52.8 -95.2 25.9 23.8 36.9 183 183 A P S >> S- 0 0 23 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.263 85.6-135.2 -49.2 120.6 24.1 25.0 40.0 184 184 A E H >> S+ 0 0 111 1,-0.3 3,-1.9 2,-0.2 4,-1.7 0.831 97.4 68.7 -43.8 -45.5 21.0 26.2 38.2 185 185 A G H 3> S+ 0 0 49 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.823 101.1 47.5 -47.0 -38.3 20.8 29.5 40.1 186 186 A Y H <> S+ 0 0 22 -3,-1.7 4,-1.8 2,-0.2 -1,-0.3 0.659 103.6 62.6 -79.8 -17.7 23.9 30.6 38.3 187 187 A R H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.7 0.895 109.1 58.7 -64.4 -44.8 24.2 34.3 33.2 191 191 A L H 3< S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.758 105.2 53.4 -57.9 -24.5 21.1 34.0 30.9 192 192 A A H >< S+ 0 0 59 -4,-1.3 3,-0.5 -3,-0.4 4,-0.5 0.797 103.9 53.0 -80.1 -32.9 20.1 37.4 32.2 193 193 A M H X< S+ 0 0 40 -4,-1.0 3,-0.8 -3,-0.7 -2,-0.2 0.860 108.8 52.4 -69.1 -34.8 23.5 39.0 31.4 194 194 A L T 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.544 93.1 70.6 -78.2 -9.8 23.0 37.6 27.8 195 195 A A T < S+ 0 0 50 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.744 103.5 49.7 -77.6 -22.1 19.6 39.2 27.5 196 196 A E S < S- 0 0 126 -3,-0.8 0, 0.0 -4,-0.5 0, 0.0 -0.791 108.4 -79.5-114.6 156.3 21.4 42.5 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50.3 49.7 26.0 207 207 A K T 34 S+ 0 0 96 14,-2.6 15,-0.1 1,-0.3 14,-0.0 0.724 108.1 65.2 -66.0 -23.3 53.6 48.2 27.1 208 208 A S T 34 S+ 0 0 104 13,-0.4 -1,-0.3 1,-0.2 14,-0.1 0.762 113.7 34.0 -69.4 -23.6 54.7 51.7 28.3 209 209 A R T <4 S+ 0 0 64 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.830 136.0 21.6 -95.9 -46.2 51.8 51.3 30.8 210 210 A V < + 0 0 1 -4,-3.0 -1,-0.2 1,-0.1 -5,-0.1 -0.854 62.7 167.4-128.0 96.3 52.0 47.5 31.4 211 211 A P + 0 0 51 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.705 59.6 81.4 -80.3 -20.3 55.4 46.1 30.6 212 212 A W S S+ 0 0 36 -159,-0.1 -159,-1.8 11,-0.1 2,-0.3 -0.771 77.4 56.8 -93.8 104.2 54.8 42.7 32.3 213 213 A G S S- 0 0 14 -2,-0.8 12,-0.1 -161,-0.2 -117,-0.0 -0.892 90.6 -53.8 158.9 172.0 52.8 40.3 30.1 214 214 A I - 0 0 5 10,-0.4 10,-3.5 -2,-0.3 -2,-0.1 -0.649 56.8-125.5 -81.4 121.6 52.6 38.5 26.7 215 215 A P E -J 223 0C 14 0, 0.0 8,-0.3 0, 0.0 5,-0.2 -0.199 26.1-100.2 -63.7 149.1 53.0 40.9 23.7 216 216 A L E > -J 219 0C 0 6,-3.2 3,-0.6 3,-0.8 6,-0.2 -0.512 26.3-134.8 -70.4 133.1 50.4 41.0 20.9 217 217 A P T 3 S+ 0 0 42 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.774 105.0 40.6 -61.2 -26.3 51.7 39.0 17.9 218 218 A W T 3 S+ 0 0 52 1,-0.3 2,-0.2 4,-0.0 -2,-0.1 0.547 128.0 29.2 -97.9 -10.8 50.7 41.8 15.5 219 219 A D E X - J 0 216C 38 -3,-0.6 3,-1.8 3,-0.2 -3,-0.8 -0.730 60.1-171.6-152.9 97.2 51.9 44.7 17.6 220 220 A E E 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.571 83.6 71.2 -66.5 -10.5 54.7 44.1 20.0 221 221 A N E 3 S+ 0 0 118 -6,-0.1 -14,-2.6 -15,-0.1 2,-0.4 0.489 93.1 71.1 -83.9 -1.9 54.2 47.5 21.6 222 222 A H E < S-I 206 0C 12 -3,-1.8 -6,-3.2 -16,-0.2 2,-0.4 -0.939 71.7-148.2-119.2 138.4 51.0 46.1 23.2 223 223 A V E -IJ 205 215C 1 -18,-2.8 -18,-1.5 -2,-0.4 2,-0.5 -0.827 26.5-107.7-108.0 140.9 50.7 43.6 25.9 224 224 A T E -I 204 0C 4 -10,-3.5 2,-0.8 -2,-0.4 -10,-0.4 -0.520 36.9-150.7 -65.4 114.9 47.9 41.0 26.4 225 225 A Y - 0 0 44 -22,-2.0 2,-0.6 -2,-0.5 3,-0.3 -0.819 43.3 -64.9-102.7 106.5 45.8 42.2 29.4 226 226 A V S >> S+ 0 0 55 -2,-0.8 3,-2.7 1,-0.2 4,-1.7 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28,-0.2 30,-0.2 -0.639 39.2-111.7 -92.1 160.1 33.8 30.6 42.5 259 259 A K G > S+ 0 0 42 28,-1.7 3,-1.9 1,-0.3 4,-0.3 0.761 109.2 81.8 -64.1 -20.8 30.9 32.8 41.6 260 260 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.3 27,-0.2 3,-0.2 0.767 99.3 37.1 -53.3 -29.1 33.2 35.8 42.0 261 261 A I G <> S+ 0 0 49 -3,-1.5 4,-0.8 1,-0.1 -1,-0.3 -0.247 81.5 123.4-118.9 42.6 34.6 35.1 38.5 262 262 A L H <> + 0 0 6 -3,-1.9 4,-2.7 2,-0.2 5,-0.3 0.901 68.7 50.7 -72.0 -44.0 31.3 34.1 36.8 263 263 A K H >>S+ 0 0 99 -4,-0.3 4,-2.8 1,-0.2 5,-1.6 0.925 107.8 51.9 -62.6 -48.2 31.2 36.6 34.0 264 264 A P H 4>S+ 0 0 23 0, 0.0 5,-3.4 0, 0.0 -1,-0.2 0.821 120.6 35.4 -56.2 -32.7 34.7 35.9 32.6 265 265 A H H <5S+ 0 0 9 -4,-0.8 -2,-0.2 3,-0.2 -3,-0.1 0.794 126.3 36.1 -92.3 -33.7 33.9 32.2 32.5 266 266 A A H <5S+ 0 0 0 -4,-2.7 -3,-0.2 -5,-0.1 -1,-0.1 0.656 134.9 16.8 -96.1 -19.1 30.3 32.2 31.5 267 267 A V T X5S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.3 -4,-0.1 0.712 130.2 33.2-115.7 -67.0 30.3 35.2 29.2 268 268 A F H >> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.899 108.8 49.7 -56.5 -44.8 32.8 31.1 25.7 271 271 A T H S+ 0 0 0 -4,-1.8 5,-2.7 2,-0.2 4,-0.9 0.919 111.6 50.0 -64.7 -47.5 36.4 29.7 22.3 274 274 A K H ><5S+ 0 0 98 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.977 112.7 46.4 -53.2 -59.5 33.9 30.3 19.5 275 275 A A H 3<5S+ 0 0 9 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.708 113.1 50.0 -57.6 -25.3 36.1 32.9 17.9 276 276 A A H 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.542 112.3-117.6 -92.2 -9.0 39.2 30.7 18.2 277 277 A G T <<5 + 0 0 56 -3,-1.6 -3,-0.2 -4,-0.9 -2,-0.1 0.821 69.6 137.1 76.1 31.6 37.5 27.7 16.7 278 278 A I < - 0 0 8 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.2 -0.928 59.0-105.5-113.2 132.7 37.9 25.7 19.9 279 279 A P - 0 0 69 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.070 38.7-104.6 -52.5 156.8 35.1 23.6 21.2 280 280 A M - 0 0 11 1,-0.1 -27,-0.2 -29,-0.0 2,-0.1 -0.335 38.0-101.8 -78.0 163.4 33.1 24.7 24.2 281 281 A Y - 0 0 1 1,-0.1 -27,-0.1 -29,-0.1 -1,-0.1 -0.323 23.8-127.4 -79.3 171.6 33.7 23.2 27.7 282 282 A R S S+ 0 0 95 -29,-1.9 2,-0.4 1,-0.3 -28,-0.2 0.915 81.1 8.5 -88.0 -47.9 31.2 20.6 29.0 283 283 A H E - e 0 254A 35 -30,-1.7 -28,-2.3 -31,-0.1 2,-0.6 -0.996 48.8-156.6-141.5 141.1 30.4 22.1 32.4 284 284 A L E -de 181 255A 0 -104,-3.5 -102,-3.2 -2,-0.4 2,-0.8 -0.971 22.0-162.4-111.4 112.1 31.0 25.3 34.4 285 285 A N E - e 0 256A 0 -30,-2.8 -28,-1.9 -2,-0.6 2,-0.5 -0.850 6.8-158.5-105.1 104.2 30.6 24.3 38.0 286 286 A V E - e 0 257A 0 -2,-0.8 -28,-0.2 -30,-0.2 2,-0.2 -0.714 3.8-160.2 -93.0 122.5 30.1 27.3 40.2 287 287 A G E - e 0 258A 2 -30,-3.2 -28,-1.7 -2,-0.5 -27,-0.2 -0.518 9.9-137.9 -93.0 160.6 30.8 27.5 44.0 288 288 A G - 0 0 11 44,-0.3 44,-0.2 -30,-0.2 2,-0.1 -0.291 37.4 -66.5-103.1-168.8 29.4 29.9 46.5 289 289 A F - 0 0 51 42,-0.2 45,-2.7 -2,-0.1 2,-0.8 -0.467 28.6-136.5 -84.1 154.4 31.1 31.8 49.4 290 290 A L E -k 334 0D 19 43,-0.2 8,-0.3 -2,-0.1 43,-0.1 -0.891 36.3-157.0-107.6 92.2 32.4 30.2 52.6 291 291 A L E -k 335 0D 21 -2,-0.8 45,-3.2 43,-0.7 6,-0.2 -0.258 17.6-100.1 -70.9 157.1 31.0 32.7 55.1 292 292 A G > - 0 0 0 4,-2.5 3,-2.5 43,-0.2 -1,-0.1 -0.092 47.8 -87.5 -68.7 176.3 32.4 33.4 58.5 293 293 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 0.856 129.8 62.3 -54.0 -34.3 30.8 31.8 61.6 294 294 A D T 3 S- 0 0 86 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.580 114.8-118.3 -69.1 -7.8 28.5 34.9 61.7 295 295 A G S < S+ 0 0 34 -3,-2.5 2,-0.3 1,-0.4 -1,-0.1 0.568 80.6 117.1 80.3 6.2 27.2 33.8 58.4 296 296 A R S S- 0 0 149 1,-0.1 -4,-2.5 3,-0.0 -1,-0.4 -0.765 81.2 -74.8-105.9 154.0 28.5 37.1 57.0 297 297 A K - 0 0 116 -2,-0.3 2,-0.4 -6,-0.2 7,-0.2 -0.117 57.9-100.1 -46.6 136.8 31.2 37.5 54.4 298 298 A M + 0 0 58 -8,-0.3 2,-0.3 5,-0.1 -1,-0.1 -0.494 59.5 156.3 -66.7 116.3 34.7 36.7 55.7 299 299 A S >> - 0 0 44 -2,-0.4 4,-2.3 1,-0.1 5,-1.4 -0.994 46.9-140.0-145.3 136.2 36.4 40.0 56.4 300 300 A K T 45S+ 0 0 181 -2,-0.3 -1,-0.1 2,-0.3 5,-0.1 0.933 110.8 53.2 -58.0 -47.2 39.2 41.0 58.7 301 301 A T T 45S+ 0 0 126 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.881 111.7 46.8 -53.4 -40.3 37.4 44.2 59.6 302 302 A L T 45S- 0 0 55 -5,-0.1 -1,-0.3 1,-0.0 -2,-0.3 0.830 107.2-136.2 -71.1 -33.6 34.4 41.9 60.4 303 303 A G T <5 + 0 0 62 -4,-2.3 -3,-0.2 1,-0.0 -2,-0.1 0.785 69.6 115.3 81.5 29.9 36.7 39.7 62.4 304 304 A N < + 0 0 10 -5,-1.4 2,-0.6 -7,-0.2 -4,-0.1 -0.222 33.1 144.9-124.0 43.5 35.4 36.4 61.0 305 305 A V - 0 0 88 -6,-0.1 2,-0.7 -5,-0.1 -14,-0.1 -0.751 32.1-160.4 -91.1 118.4 38.4 35.0 59.1 306 306 A V - 0 0 15 -2,-0.6 -286,-0.3 31,-0.0 -2,-0.0 -0.859 9.7-149.9 -99.5 112.0 38.8 31.2 59.2 307 307 A D > - 0 0 78 -2,-0.7 4,-1.8 1,-0.1 3,-0.5 -0.728 3.7-159.1 -84.1 120.6 42.4 30.2 58.3 308 308 A P H > S+ 0 0 4 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.679 91.3 54.3 -71.6 -20.1 42.5 26.8 56.5 309 309 A F H > S+ 0 0 47 2,-0.2 4,-1.8 3,-0.2 -2,-0.0 0.701 107.5 48.4 -89.0 -19.3 46.2 26.2 57.4 310 310 A A H > S+ 0 0 23 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.892 115.7 44.8 -81.2 -44.3 45.6 26.8 61.1 311 311 A L H X S+ 0 0 11 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.865 116.0 48.5 -62.3 -39.4 42.7 24.4 61.0 312 312 A L H X S+ 0 0 19 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.919 111.0 49.4 -66.9 -47.6 44.9 22.1 58.9 313 313 A E H < S+ 0 0 161 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.884 117.0 42.7 -60.9 -38.9 47.8 22.4 61.4 314 314 A K H < S+ 0 0 105 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.894 130.0 18.3 -78.5 -41.4 45.5 21.6 64.3 315 315 A Y H < S- 0 0 17 -4,-2.8 4,-0.4 1,-0.2 -3,-0.2 0.432 108.1-100.9-114.2 2.5 43.4 18.8 62.9 316 316 A G X - 0 0 29 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.020 31.6 -86.8 97.0 153.2 45.2 17.3 60.0 317 317 A R H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.914 123.9 50.3 -64.1 -45.1 44.8 17.6 56.2 318 318 A D H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.872 108.7 52.3 -64.5 -38.6 42.2 14.8 55.9 319 319 A A H > S+ 0 0 2 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.894 110.4 46.9 -65.4 -41.9 40.0 16.2 58.6 320 320 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.877 113.3 50.1 -68.2 -35.5 39.9 19.7 57.1 321 321 A R H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.928 110.6 47.8 -67.9 -47.8 39.2 18.2 53.6 322 322 A Y H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.953 112.2 49.1 -59.5 -51.7 36.3 16.0 54.8 323 323 A Y H X S+ 0 0 2 -4,-2.0 4,-3.3 1,-0.2 5,-0.3 0.899 111.7 49.9 -55.1 -43.1 34.6 18.8 56.7 324 324 A L H X S+ 0 0 2 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.902 117.3 39.2 -64.5 -41.9 34.9 21.1 53.7 325 325 A L H < S+ 0 0 1 -4,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.810 123.7 41.6 -77.9 -30.3 33.4 18.6 51.3 326 326 A R H < S+ 0 0 29 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.843 114.6 47.0 -86.6 -36.5 30.9 17.4 53.9 327 327 A E H < S+ 0 0 61 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.751 105.3 65.1 -79.4 -24.6 29.7 20.6 55.4 328 328 A I < - 0 0 2 -4,-0.9 2,-0.8 -5,-0.3 73,-0.3 -0.875 65.3-148.4-114.6 130.4 29.2 22.5 52.2 329 329 A P > - 0 0 27 0, 0.0 3,-2.4 0, 0.0 -41,-0.2 -0.819 44.2-111.6 -85.4 112.6 26.7 22.0 49.4 330 330 A Y T 3 S+ 0 0 15 -2,-0.8 -43,-0.1 68,-0.5 -44,-0.1 -0.236 101.7 27.8 -52.6 125.0 28.7 23.2 46.4 331 331 A G T 3 S+ 0 0 9 1,-0.3 2,-0.4 -46,-0.1 -1,-0.3 0.053 100.1 104.5 111.3 -22.1 27.2 26.4 44.9 332 332 A Q S < S- 0 0 125 -3,-2.4 2,-0.4 -44,-0.2 -44,-0.3 -0.790 76.1-119.6-101.4 132.9 25.7 27.5 48.3 333 333 A D + 0 0 68 -2,-0.4 -43,-0.2 -45,-0.1 -3,-0.0 -0.526 44.2 179.4 -64.6 121.4 27.1 30.3 50.5 334 334 A T E -k 290 0D 20 -45,-2.7 -43,-0.7 -2,-0.4 2,-0.2 -0.992 27.9-124.0-135.4 130.8 27.9 28.4 53.7 335 335 A P E -k 291 0D 59 0, 0.0 2,-0.3 0, 0.0 -43,-0.2 -0.488 28.7-163.7 -73.0 139.6 29.4 29.6 57.0 336 336 A V + 0 0 2 -45,-3.2 2,-0.3 -2,-0.2 -41,-0.2 -0.803 13.6 164.4-118.5 161.7 32.4 27.8 58.2 337 337 A S > - 0 0 18 -2,-0.3 4,-1.4 -45,-0.1 5,-0.1 -0.973 46.3-114.4-169.1 161.5 34.1 27.7 61.6 338 338 A E H > S+ 0 0 63 -2,-0.3 4,-3.0 1,-0.2 5,-0.1 0.865 114.9 56.4 -72.6 -35.5 36.6 25.8 63.7 339 339 A E H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.797 107.7 48.7 -65.2 -30.0 33.9 24.6 66.2 340 340 A A H > S+ 0 0 23 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.847 113.1 47.0 -77.0 -36.5 32.0 23.1 63.3 341 341 A L H X S+ 0 0 1 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.914 112.1 52.8 -67.5 -44.0 35.1 21.4 62.0 342 342 A R H X S+ 0 0 91 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.917 109.9 44.9 -57.3 -52.2 35.8 20.2 65.6 343 343 A T H X S+ 0 0 83 -4,-2.0 4,-1.8 2,-0.2 5,-0.3 0.817 114.3 49.4 -65.0 -33.6 32.4 18.6 66.2 344 344 A R H X>S+ 0 0 53 -4,-1.4 4,-1.6 3,-0.2 5,-1.2 0.905 112.6 50.2 -69.7 -42.1 32.5 16.9 62.8 345 345 A Y H X>S+ 0 0 3 -4,-2.6 5,-3.7 3,-0.2 4,-0.6 0.959 113.6 41.8 -59.5 -58.0 36.0 15.7 63.7 346 346 A E H <>S+ 0 0 70 -4,-2.8 5,-1.6 3,-0.2 -1,-0.2 0.877 127.1 33.4 -58.6 -42.1 35.1 14.2 67.1 347 347 A A H <>S+ 0 0 39 -4,-1.8 5,-2.8 -5,-0.2 6,-0.2 0.979 127.3 28.9 -79.6 -69.5 31.9 12.7 65.9 348 348 A D H <>S+ 0 0 14 -4,-1.6 5,-0.5 -5,-0.3 -3,-0.2 0.924 136.8 20.3 -61.8 -48.4 32.3 11.6 62.3 349 349 A L I XXS+ 0 0 1 -5,-1.2 5,-2.7 -4,-0.6 4,-1.0 0.957 128.4 38.2 -87.8 -66.7 36.0 10.9 62.3 350 350 A A I 4XS+ 0 0 26 -5,-3.7 5,-1.3 3,-0.2 -3,-0.2 0.913 132.2 23.8 -55.3 -47.7 37.2 10.3 65.9 351 351 A D I 4XS+ 0 0 83 -5,-1.6 5,-0.7 -6,-0.3 -3,-0.2 0.955 124.8 41.4 -86.7 -56.3 34.1 8.5 67.0 352 352 A D I 4X S+ 0 0 21 -4,-1.7 4,-1.7 2,-0.2 3,-0.5 0.917 110.4 50.2 -69.5 -42.4 40.8 -4.5 66.2 362 362 A A H 3X S+ 0 0 56 -4,-2.0 4,-1.8 1,-0.3 -2,-0.2 0.861 110.2 49.5 -61.2 -40.4 40.6 -5.2 70.0 363 363 A M H 3X S+ 0 0 27 -4,-1.4 4,-2.1 2,-0.2 5,-0.3 0.653 105.1 59.5 -74.4 -17.6 37.7 -7.6 69.4 364 364 A L H + 0 0 3 -2,-0.4 3,-2.3 1,-0.2 2,-0.3 0.792 31.9 170.3 -75.5 -28.4 27.1 -9.7 54.6 379 379 A E G > S+ 0 0 118 1,-0.3 3,-0.8 2,-0.2 4,-0.3 -0.351 78.1 8.0 55.2-110.6 23.3 -10.2 55.0 380 380 A E G > S+ 0 0 80 -2,-0.3 3,-0.7 1,-0.2 -1,-0.3 0.854 135.8 52.6 -66.6 -34.7 22.1 -6.8 56.2 381 381 A L G X S+ 0 0 8 -3,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.562 86.3 84.0 -79.5 -8.9 25.5 -5.3 55.6 382 382 A A G X S+ 0 0 32 -3,-0.8 3,-1.8 1,-0.3 -1,-0.2 0.747 71.5 76.8 -67.6 -23.0 25.8 -6.4 52.0 383 383 A E G X S+ 0 0 149 -3,-0.7 3,-1.1 -4,-0.3 -1,-0.3 0.578 75.4 80.0 -64.5 -7.9 23.8 -3.5 50.7 384 384 A G G X S+ 0 0 1 -3,-1.4 3,-1.1 1,-0.2 4,-0.3 0.684 78.6 68.2 -73.6 -16.0 26.9 -1.4 51.2 385 385 A T G < S+ 0 0 30 -3,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.583 92.2 59.7 -78.8 -10.2 28.3 -2.6 47.9 386 386 A G G <> S+ 0 0 43 -3,-1.1 4,-0.7 -4,-0.2 -1,-0.2 0.239 82.2 86.5 -99.4 11.6 25.7 -0.8 46.0 387 387 A L H <> S+ 0 0 15 -3,-1.1 4,-2.7 91,-0.3 3,-0.4 0.845 78.3 61.3 -79.0 -37.1 26.8 2.6 47.4 388 388 A A H > S+ 0 0 0 -4,-0.3 4,-1.6 90,-0.3 -1,-0.2 0.909 105.5 49.7 -55.4 -41.5 29.5 3.1 44.7 389 389 A G H 4 S+ 0 0 39 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.800 112.5 46.9 -68.4 -28.1 26.6 3.1 42.2 390 390 A R H X S+ 0 0 151 -4,-0.7 4,-0.8 -3,-0.4 -2,-0.2 0.832 111.9 49.6 -80.7 -36.4 24.6 5.6 44.3 391 391 A L H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.735 93.9 74.6 -75.8 -27.4 27.5 8.0 44.8 392 392 A R H X S+ 0 0 58 -4,-1.6 4,-2.9 -5,-0.2 5,-0.3 0.971 102.8 36.7 -51.7 -64.7 28.7 8.2 41.2 393 393 A P H > S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.855 115.6 56.0 -59.0 -34.3 25.8 10.5 40.0 394 394 A L H <>S+ 0 0 21 -4,-0.8 5,-4.2 2,-0.2 -2,-0.2 0.934 113.0 41.7 -60.7 -46.9 25.8 12.4 43.2 395 395 A V H ><5S+ 0 0 0 -4,-2.7 3,-2.0 3,-0.2 -1,-0.2 0.954 115.6 47.6 -65.0 -53.0 29.5 13.2 42.8 396 396 A R H 3<5S+ 0 0 78 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.733 112.3 51.9 -62.7 -22.7 29.3 14.0 39.1 397 397 A E T 3<5S- 0 0 92 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.081 124.0-105.6-101.1 23.1 26.2 16.2 39.8 398 398 A L T < 5S+ 0 0 9 -3,-2.0 2,-0.6 1,-0.1 -68,-0.5 0.721 78.0 134.0 59.8 33.0 28.2 18.1 42.5 399 399 A K >< + 0 0 74 -5,-4.2 4,-1.9 -6,-0.2 -1,-0.1 -0.540 14.0 146.4-106.4 64.3 26.5 16.5 45.6 400 400 A F H > + 0 0 2 -2,-0.6 4,-2.4 2,-0.2 5,-0.2 0.826 70.0 51.9 -69.1 -35.8 29.7 15.8 47.6 401 401 A H H > S+ 0 0 40 -73,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.907 112.6 46.0 -67.9 -42.1 28.1 16.4 51.0 402 402 A V H > S+ 0 0 28 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.876 112.2 51.4 -67.7 -37.7 25.3 14.0 50.2 403 403 A A H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 3,-0.3 0.945 113.9 43.0 -63.3 -49.1 27.7 11.4 48.9 404 404 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.854 110.1 59.0 -65.2 -33.8 29.8 11.6 52.0 405 405 A E H X S+ 0 0 102 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.826 108.1 44.9 -63.5 -34.6 26.6 11.6 54.1 406 406 A E H X S+ 0 0 47 -4,-1.6 4,-0.9 -3,-0.3 -1,-0.2 0.815 113.1 48.7 -80.2 -33.8 25.6 8.2 52.6 407 407 A A H X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 3,-0.3 0.888 113.5 47.3 -71.9 -40.0 29.0 6.6 52.9 408 408 A M H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.686 105.0 60.6 -73.8 -20.8 29.3 7.7 56.5 409 409 A A H X S+ 0 0 45 -4,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.797 101.8 52.9 -75.6 -30.2 25.7 6.5 57.2 410 410 A Y H X S+ 0 0 18 -4,-0.9 4,-1.3 -3,-0.3 -2,-0.2 0.851 108.8 50.3 -71.1 -35.2 26.9 3.0 56.2 411 411 A V H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.855 110.1 48.5 -69.4 -37.2 29.7 3.4 58.7 412 412 A K H X S+ 0 0 99 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.889 110.3 53.3 -66.5 -40.9 27.2 4.5 61.4 413 413 A A H X S+ 0 0 28 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.814 104.9 55.1 -62.7 -31.3 25.1 1.5 60.3 414 414 A L H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.890 109.3 45.6 -69.5 -41.7 28.3 -0.7 60.9 415 415 A N H X S+ 0 0 12 -4,-1.7 4,-2.8 2,-0.2 5,-0.4 0.984 111.1 53.7 -61.6 -57.2 28.6 0.6 64.5 416 416 A R H X S+ 0 0 153 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.863 107.8 53.6 -40.8 -47.6 24.9 0.0 65.0 417 417 A Y H >X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 3,-0.8 0.982 110.8 40.6 -56.3 -66.5 25.4 -3.6 63.8 418 418 A I H 3X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.3 -2,-0.2 0.910 116.2 50.6 -52.1 -47.2 28.1 -4.6 66.2 419 419 A N H 3< S+ 0 0 81 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.807 115.2 45.8 -61.6 -29.0 26.5 -2.8 69.1 420 420 A E H << S+ 0 0 110 -4,-1.7 -2,-0.2 -3,-0.8 -1,-0.2 0.835 117.3 39.8 -82.9 -36.9 23.3 -4.6 68.2 421 421 A K H < S- 0 0 63 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.861 93.5-148.8 -80.1 -36.9 24.7 -8.1 67.7 422 422 A K >X - 0 0 99 -4,-3.2 4,-1.7 -5,-0.3 3,-1.4 0.998 8.6-161.4 65.3 69.0 27.0 -7.9 70.6 423 423 A P H 3> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.729 90.9 54.6 -52.2 -26.6 30.0 -10.1 69.5 424 424 A W H 34 S+ 0 0 86 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.801 108.8 47.3 -78.0 -30.1 31.2 -10.3 73.1 425 425 A E H <> S+ 0 0 82 -3,-1.4 4,-0.7 1,-0.2 3,-0.2 0.756 112.3 53.4 -77.8 -26.1 27.7 -11.6 74.1 426 426 A L H X S+ 0 0 23 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.721 90.0 72.3 -81.7 -26.0 27.9 -14.0 71.1 427 427 A F H < S+ 0 0 77 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.850 96.9 52.7 -60.5 -33.7 31.2 -15.7 71.9 428 428 A K H 4 S+ 0 0 142 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.948 122.4 26.7 -67.1 -50.2 29.6 -17.5 74.8 429 429 A K H < S- 0 0 139 -4,-0.7 -2,-0.1 1,-0.2 -3,-0.1 0.973 141.9 -1.7 -73.6 -80.4 26.8 -19.0 72.8 430 430 A E < - 0 0 71 -4,-0.9 4,-0.4 1,-0.1 3,-0.4 -0.882 55.1-175.4-122.5 98.6 28.0 -19.2 69.2 431 431 A P S > S+ 0 0 33 0, 0.0 4,-0.9 0, 0.0 -4,-0.1 0.495 87.3 62.1 -68.4 -4.6 31.6 -17.9 68.6 432 432 A E H > S+ 0 0 93 2,-0.2 4,-2.6 -6,-0.2 3,-0.2 0.872 104.4 44.0 -85.7 -44.3 31.0 -18.5 64.9 433 433 A E H > S+ 0 0 85 -3,-0.4 4,-0.6 1,-0.2 -1,-0.1 0.514 112.0 58.5 -75.2 -3.9 28.2 -16.1 64.7 434 434 A A H > S+ 0 0 0 -4,-0.4 4,-1.1 -8,-0.2 -1,-0.2 0.797 110.3 39.2 -90.6 -36.2 30.5 -13.9 66.8 435 435 A R H X S+ 0 0 94 -4,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.818 111.1 58.0 -81.1 -35.6 33.2 -14.0 64.1 436 436 A A H X S+ 0 0 5 -4,-2.6 4,-1.9 2,-0.2 -3,-0.2 0.908 107.4 48.9 -60.3 -42.9 30.7 -13.7 61.2 437 437 A V H X S+ 0 0 4 -4,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.901 112.2 48.5 -63.3 -42.1 29.5 -10.5 62.8 438 438 A L H X S+ 0 0 0 -4,-1.1 4,-1.9 1,-0.2 -2,-0.2 0.883 109.7 51.1 -68.2 -38.0 33.1 -9.3 63.1 439 439 A Y H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.856 107.1 54.5 -66.8 -34.9 34.0 -10.2 59.5 440 440 A R H X S+ 0 0 23 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.816 108.5 50.0 -65.8 -31.0 30.9 -8.3 58.3 441 441 A V H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.880 112.1 46.5 -74.4 -40.2 32.3 -5.2 60.2 442 442 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.963 114.5 45.9 -65.6 -54.0 35.8 -5.6 58.6 443 443 A E H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.886 113.8 50.2 -57.6 -40.5 34.4 -6.0 55.1 444 444 A G H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.868 109.5 50.7 -66.4 -36.2 32.0 -3.1 55.6 445 445 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.883 108.6 53.0 -67.8 -37.4 34.9 -1.0 56.8 446 446 A R H X S+ 0 0 15 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.958 111.5 45.6 -59.4 -54.2 36.9 -1.9 53.7 447 447 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.5 0.926 114.6 46.1 -55.5 -53.3 34.1 -0.9 51.4 448 448 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.898 108.0 58.3 -60.3 -41.0 33.4 2.4 53.2 449 449 A S H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.832 103.7 52.1 -58.7 -34.5 37.1 3.2 53.3 450 450 A I H >< S+ 0 0 0 -4,-1.4 3,-1.0 -3,-0.5 -1,-0.2 0.940 108.4 51.3 -66.9 -45.9 37.3 3.0 49.5 451 451 A L H 3< S+ 0 0 2 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.836 113.1 44.8 -58.6 -36.9 34.4 5.5 49.2 452 452 A L H >X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.9 0.511 87.5 93.0 -88.4 -4.5 36.1 8.0 51.6 453 453 A T T << S+ 0 0 16 -3,-1.0 -1,-0.2 -4,-0.6 7,-0.1 0.896 78.8 56.7 -57.8 -46.0 39.5 7.7 50.0 454 454 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 -420,-0.2 0.795 115.5 39.4 -58.0 -25.2 39.1 10.6 47.6 455 455 A A T <4 S+ 0 0 0 -3,-0.9 -2,-0.2 1,-0.2 -133,-0.2 0.760 134.7 20.4 -91.8 -29.7 38.3 12.9 50.5 456 456 A M S X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.1 5,-0.3 -0.475 70.0 167.4-140.7 66.0 40.9 11.4 52.9 457 457 A P H > S+ 0 0 15 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.899 76.2 39.4 -42.9 -65.2 43.6 9.5 50.9 458 458 A D H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.878 116.4 47.7 -59.0 -47.3 46.2 9.0 53.6 459 459 A K H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 111.9 48.9 -67.8 -37.0 44.0 8.1 56.5 460 460 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.840 111.1 50.7 -72.0 -30.8 41.9 5.7 54.6 461 461 A A H X S+ 0 0 19 -4,-1.6 4,-1.6 -5,-0.3 -2,-0.2 0.912 112.6 47.9 -68.4 -40.7 45.1 4.0 53.4 462 462 A E H X S+ 0 0 31 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.837 108.2 53.6 -65.7 -38.0 46.2 3.9 57.0 463 463 A L H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.904 106.8 52.6 -62.5 -43.4 42.8 2.5 58.1 464 464 A R H ><>S+ 0 0 5 -4,-1.9 5,-3.1 1,-0.2 3,-0.7 0.896 109.8 50.2 -57.5 -42.1 43.3 -0.3 55.6 465 465 A R H ><5S+ 0 0 107 -4,-1.6 3,-1.8 1,-0.2 -2,-0.2 0.894 102.7 58.2 -62.3 -46.9 46.7 -0.9 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