==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-OCT-05 2D54 . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.KONNO,R.TAKEDA,R.TAKASAKA,Y.MORI,R.ISHII,S.YOKOYAMA,RIKEN . 500 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 72.6 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 . 32 6.4 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 . 2 0.4 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 . 24 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 38.6 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 1 1 2 1 1 2 4 2 0 0 1 0 1 0 1 1 0 0 2 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 . 3 2 2 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 2 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 0 201 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.0 38.2 5.6 24.6 2 2 A E + 0 0 152 1,-0.2 2,-0.7 0, 0.0 39,-0.1 0.726 360.0 35.2-117.9 -65.2 35.5 5.0 27.1 3 3 A K + 0 0 76 37,-0.2 39,-3.0 2,-0.0 2,-0.4 -0.838 63.9 153.7-107.3 108.2 36.0 6.5 30.6 4 4 A V E -a 42 0A 8 -2,-0.7 2,-0.4 37,-0.2 39,-0.2 -0.990 17.5-171.4-130.8 136.3 37.7 9.9 30.7 5 5 A F E +a 43 0A 0 37,-2.7 39,-2.2 -2,-0.4 2,-0.4 -0.997 4.0 179.3-131.1 130.3 37.4 12.6 33.4 6 6 A Y E +ab 44 253A 0 246,-0.9 248,-1.3 -2,-0.4 2,-0.4 -0.995 7.2 172.1-131.3 123.4 38.9 16.1 33.2 7 7 A V E -ab 45 254A 0 37,-2.2 39,-2.5 -2,-0.4 2,-0.3 -0.992 7.3-171.0-134.9 141.6 38.4 18.7 36.0 8 8 A T E -ab 46 255A 0 246,-2.0 248,-2.0 -2,-0.4 39,-0.2 -0.894 11.4-152.7-127.9 157.9 40.0 22.1 36.5 9 9 A T E - 0 0 0 37,-1.3 248,-0.1 -2,-0.3 2,-0.1 -0.771 43.7 -87.5-118.0 167.2 40.0 24.6 39.2 10 10 A P E - 0 0 8 0, 0.0 2,-0.6 0, 0.0 38,-0.5 -0.436 42.2-113.9 -72.7 155.9 40.5 28.3 38.5 11 11 A I E -a 48 0A 18 36,-0.2 38,-0.3 38,-0.1 2,-0.2 -0.823 40.9-131.4 -89.2 128.0 44.1 29.4 38.3 12 12 A Y E -a 49 0A 20 36,-1.9 38,-2.1 -2,-0.6 2,-0.1 -0.528 24.0 -89.1 -88.4 148.1 44.5 31.8 41.2 13 13 A Y E > -a 50 0A 89 -2,-0.2 3,-1.9 36,-0.2 38,-0.2 -0.315 42.8-138.3 -50.6 113.8 46.1 35.3 41.4 14 14 A V T 3 S+ 0 0 0 36,-2.6 63,-0.2 1,-0.3 64,-0.2 0.713 97.2 48.3 -53.5 -28.3 49.7 34.2 42.0 15 15 A N T 3 S+ 0 0 45 35,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.489 87.9 105.3 -93.7 -4.2 50.3 37.0 44.6 16 16 A A S < S- 0 0 27 -3,-1.9 61,-0.0 1,-0.1 3,-0.0 -0.534 77.7-114.9 -78.6 141.1 47.2 36.3 46.7 17 17 A E - 0 0 156 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.602 39.0-104.9 -76.5 129.2 47.6 34.5 50.0 18 18 A P + 0 0 21 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.259 51.7 173.7 -53.2 134.3 45.8 31.1 49.9 19 19 A H > - 0 0 92 288,-0.1 4,-2.5 289,-0.1 3,-0.2 -0.740 47.3 -78.9-135.2-175.7 42.5 31.2 51.8 20 20 A L H > S+ 0 0 3 286,-0.3 4,-2.9 1,-0.2 5,-0.2 0.889 123.7 55.0 -54.2 -44.5 39.5 29.1 52.6 21 21 A G H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.918 110.5 44.2 -56.5 -47.8 37.8 29.8 49.3 22 22 A H H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.956 114.0 51.9 -60.4 -50.5 40.8 28.6 47.3 23 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.883 108.8 49.8 -52.7 -48.0 41.1 25.5 49.6 24 24 A Y H X S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.947 111.2 46.0 -59.4 -54.7 37.5 24.5 49.2 25 25 A T H X S+ 0 0 12 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.906 115.6 47.7 -57.1 -42.7 37.3 24.6 45.4 26 26 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.900 110.4 51.1 -67.4 -41.5 40.6 22.7 45.1 27 27 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.883 110.4 49.9 -63.6 -39.0 39.5 20.1 47.7 28 28 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.944 110.6 48.8 -65.5 -45.2 36.3 19.5 45.8 29 29 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.884 111.7 51.3 -60.6 -37.0 38.1 19.1 42.5 30 30 A D H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.914 107.7 50.9 -67.5 -42.3 40.5 16.7 44.2 31 31 A F H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.961 112.7 47.2 -58.3 -50.6 37.6 14.6 45.6 32 32 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.910 115.3 44.7 -55.2 -48.7 36.1 14.4 42.0 33 33 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.932 115.2 47.2 -63.2 -49.3 39.4 13.5 40.5 34 34 A R H X S+ 0 0 46 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.891 112.6 51.2 -60.2 -41.5 40.3 10.9 43.2 35 35 A W H X S+ 0 0 2 -4,-2.9 4,-1.8 -5,-0.3 -2,-0.2 0.949 111.7 44.6 -62.6 -51.3 36.8 9.5 42.9 36 36 A H H <>S+ 0 0 1 -4,-2.6 5,-2.8 2,-0.2 -1,-0.2 0.862 111.7 53.4 -64.8 -33.4 36.9 9.0 39.1 37 37 A R H ><5S+ 0 0 77 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.933 109.7 49.0 -63.8 -42.1 40.4 7.6 39.3 38 38 A L H 3<5S+ 0 0 27 -4,-2.2 437,-2.1 1,-0.3 438,-0.5 0.837 107.5 56.0 -63.6 -33.0 39.1 5.1 41.8 39 39 A D T 3<5S- 0 0 13 -4,-1.8 -1,-0.3 435,-0.2 -2,-0.2 0.180 125.9 -99.1 -87.2 16.4 36.2 4.3 39.4 40 40 A G T < 5S+ 0 0 52 -3,-1.5 -3,-0.2 1,-0.2 2,-0.2 0.545 72.5 147.0 82.4 9.1 38.6 3.4 36.6 41 41 A Y < - 0 0 45 -5,-2.8 2,-0.8 -6,-0.2 -37,-0.2 -0.531 56.5-119.6 -80.8 145.9 38.5 6.7 34.6 42 42 A R E -a 4 0A 135 -39,-3.0 -37,-2.7 -2,-0.2 2,-0.4 -0.764 51.3-162.2 -78.8 115.5 41.5 8.0 32.7 43 43 A T E -a 5 0A 17 -2,-0.8 2,-0.4 -39,-0.2 -37,-0.2 -0.850 31.4-176.8-117.9 144.9 41.8 11.3 34.7 44 44 A F E -a 6 0A 31 -39,-2.2 -37,-2.2 -2,-0.4 2,-0.5 -0.983 8.1-172.3-135.3 121.4 43.4 14.7 34.4 45 45 A F E -a 7 0A 0 -2,-0.4 45,-2.5 -39,-0.2 46,-1.5 -0.966 10.9-167.5-118.4 114.8 43.1 17.2 37.2 46 46 A L E +ac 8 91A 0 -39,-2.5 -37,-1.3 -2,-0.5 2,-0.3 -0.822 17.5 151.9-109.2 142.8 44.4 20.7 36.5 47 47 A T E + c 0 92A 0 44,-1.5 46,-2.8 -2,-0.3 2,-0.3 -0.896 13.6 135.2-151.0 173.6 45.2 23.7 38.8 48 48 A G E -ac 11 93A 0 -38,-0.5 -36,-1.9 44,-0.3 2,-0.4 -0.997 41.3 -72.4 169.9-165.2 47.6 26.6 38.6 49 49 A T E -ac 12 94A 0 44,-2.2 46,-1.8 -38,-0.3 2,-0.8 -0.985 21.6-136.0-134.4 139.3 48.4 30.3 39.0 50 50 A D E +a 13 0A 27 -38,-2.1 -36,-2.6 -2,-0.4 -35,-0.3 -0.811 33.5 167.4 -88.5 109.3 47.6 33.5 37.1 51 51 A E + 0 0 0 -2,-0.8 -1,-0.1 -38,-0.2 2,-0.1 0.362 38.7 86.5-113.0 6.5 50.9 35.3 37.0 52 52 A H + 0 0 15 174,-0.1 4,-0.3 4,-0.1 161,-0.2 -0.380 49.2 80.5 -98.7 179.9 50.6 38.2 34.5 53 53 A G S > S- 0 0 8 159,-1.5 4,-1.5 1,-0.1 5,-0.1 -0.143 81.1 -88.7 106.6 157.3 49.3 41.7 34.8 54 54 A E H > S+ 0 0 34 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.787 117.6 65.8 -74.5 -26.9 50.7 45.0 36.0 55 55 A T H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 106.6 40.7 -60.5 -47.5 49.6 44.4 39.6 56 56 A V H > S+ 0 0 1 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.919 114.5 53.6 -66.2 -42.5 51.9 41.5 40.0 57 57 A Y H X S+ 0 0 63 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.940 109.5 48.0 -55.8 -49.8 54.6 43.4 38.1 58 58 A R H X S+ 0 0 97 -4,-3.3 4,-3.3 1,-0.2 -1,-0.2 0.924 109.3 53.6 -55.1 -48.6 54.2 46.3 40.5 59 59 A A H X S+ 0 0 23 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.895 108.2 50.7 -54.7 -43.0 54.4 43.9 43.5 60 60 A A H <>S+ 0 0 0 -4,-2.5 5,-3.3 2,-0.2 4,-0.5 0.940 112.5 44.5 -62.1 -49.0 57.7 42.5 42.2 61 61 A Q H ><5S+ 0 0 102 -4,-2.4 3,-0.8 3,-0.2 -2,-0.2 0.909 112.1 54.2 -62.3 -42.3 59.2 46.0 41.8 62 62 A A H 3<5S+ 0 0 85 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.969 109.7 45.1 -54.3 -56.6 57.9 47.0 45.2 63 63 A A T 3<5S- 0 0 56 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.601 119.2-119.3 -63.9 -8.7 59.5 44.0 46.8 64 64 A G T < 5 + 0 0 63 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.900 69.8 128.8 70.5 42.8 62.5 45.0 44.7 65 65 A E < - 0 0 69 -5,-3.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.948 69.0 -97.0-132.4 150.7 62.6 41.7 42.8 66 66 A D > - 0 0 101 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.439 40.7-124.2 -61.4 131.1 62.8 40.7 39.1 67 67 A P H > S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.855 107.2 46.9 -46.7 -48.2 59.1 39.8 38.1 68 68 A K H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.954 114.5 46.3 -63.7 -47.9 59.8 36.3 36.9 69 69 A A H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.854 111.7 56.0 -61.5 -32.4 61.8 35.4 40.0 70 70 A F H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.941 109.8 41.3 -65.1 -50.3 59.0 37.0 42.0 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.820 109.7 60.0 -69.3 -30.3 56.2 34.9 40.6 72 72 A D H < S+ 0 0 63 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.920 112.3 40.4 -62.0 -40.9 58.4 31.8 40.8 73 73 A R H >< S+ 0 0 112 -4,-1.6 3,-1.1 -5,-0.2 4,-0.2 0.963 117.0 43.9 -73.0 -54.2 58.7 32.4 44.5 74 74 A V H >X S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.3 4,-0.5 0.744 102.9 65.8 -67.1 -23.2 55.1 33.4 45.4 75 75 A S H >X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.3 3,-0.9 0.808 88.0 73.2 -67.5 -24.1 53.5 30.7 43.3 76 76 A G H <> S+ 0 0 17 -3,-1.1 4,-2.4 -4,-0.5 -1,-0.3 0.708 82.6 67.7 -61.5 -21.0 55.1 28.4 45.8 77 77 A R H <> S+ 0 0 84 -3,-1.4 4,-1.9 -4,-0.2 -1,-0.2 0.899 103.6 43.2 -66.8 -40.5 52.5 29.4 48.4 78 78 A F H S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 4,-0.3 0.835 112.0 51.6 -67.5 -32.6 48.0 22.0 47.9 83 83 A D H ><5S+ 0 0 101 -4,-1.6 3,-1.2 3,-0.2 -2,-0.2 0.934 110.0 49.6 -67.2 -45.8 50.8 19.8 49.3 84 84 A L H 3<5S+ 0 0 88 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.892 113.0 46.9 -58.5 -42.0 49.5 20.5 52.8 85 85 A L T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.442 113.2-118.3 -81.7 -0.9 45.9 19.7 51.8 86 86 A G T < 5 + 0 0 11 -3,-1.2 2,-0.6 -4,-0.3 -3,-0.2 0.884 48.1 173.2 66.7 38.9 47.0 16.5 50.0 87 87 A I < - 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0 0 48 -2,-0.1 5,-1.2 1,-0.1 4,-1.0 -0.959 50.4-128.1-161.5 141.1 36.2 39.6 56.0 300 300 A K G >45S+ 0 0 176 -2,-0.3 3,-0.6 1,-0.3 5,-0.1 0.870 110.4 58.6 -58.0 -38.5 39.0 40.9 58.3 301 301 A T G 345S+ 0 0 119 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.791 109.2 44.7 -64.0 -27.0 36.9 43.9 59.3 302 302 A L G <45S- 0 0 65 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.607 101.7-137.1 -90.5 -14.3 34.2 41.6 60.6 303 303 A G T <<5S+ 0 0 67 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.1 0.884 71.8 115.8 59.2 39.5 36.7 39.3 62.3 304 304 A N < + 0 0 9 -5,-1.2 2,-0.3 -7,-0.1 -4,-0.1 -0.012 34.1 133.3-125.2 25.1 34.9 36.2 61.1 305 305 A V - 0 0 83 -6,-0.2 2,-0.6 -13,-0.1 -14,-0.1 -0.627 42.7-153.7 -79.8 134.9 37.7 34.9 58.9 306 306 A V - 0 0 14 -2,-0.3 -286,-0.3 31,-0.0 -2,-0.0 -0.956 9.6-142.0-113.1 118.0 38.4 31.2 59.3 307 307 A D > - 0 0 79 -2,-0.6 4,-1.8 1,-0.2 3,-0.3 -0.682 4.9-158.4 -82.6 119.1 41.9 30.1 58.4 308 308 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.842 92.5 52.1 -65.5 -33.0 42.0 26.7 56.7 309 309 A F H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.788 106.1 53.7 -75.8 -25.3 45.6 26.1 57.6 310 310 A A H > S+ 0 0 21 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.931 112.3 45.4 -70.4 -45.9 45.0 26.8 61.3 311 311 A L H X>S+ 0 0 7 -4,-1.8 4,-3.3 1,-0.2 5,-0.6 0.930 113.3 49.0 -61.2 -47.3 42.2 24.2 61.1 312 312 A L H X5S+ 0 0 25 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.899 109.8 53.2 -60.4 -39.6 44.4 21.7 59.2 313 313 A E H <5S+ 0 0 166 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.905 117.4 36.5 -61.9 -43.8 47.2 22.3 61.8 314 314 A K H <5S+ 0 0 91 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.925 134.0 20.1 -77.2 -48.9 44.9 21.5 64.7 315 315 A Y H <5S- 0 0 6 -4,-3.3 4,-0.4 -5,-0.2 -3,-0.2 0.617 106.7-114.1-102.1 -13.9 42.7 18.7 63.3 316 316 A G X< - 0 0 26 -4,-2.1 4,-1.9 -5,-0.6 5,-0.2 0.069 28.9 -78.4 96.7 151.7 44.6 17.4 60.4 317 317 A R H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 125.0 48.6 -50.6 -56.6 44.2 17.2 56.6 318 318 A D H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 110.1 51.7 -56.9 -41.4 41.7 14.4 56.5 319 319 A A H > S+ 0 0 4 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.898 113.3 44.7 -63.8 -41.0 39.4 15.9 59.2 320 320 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.955 113.5 48.7 -68.5 -50.4 39.3 19.2 57.3 321 321 A R H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.933 112.8 48.4 -54.1 -50.5 38.7 17.7 53.9 322 322 A Y H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.896 112.4 49.8 -58.0 -42.5 35.9 15.5 55.2 323 323 A Y H X S+ 0 0 2 -4,-1.8 4,-2.9 -5,-0.2 5,-0.3 0.914 110.4 47.8 -64.4 -45.8 34.3 18.4 57.0 324 324 A L H X S+ 0 0 1 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.863 117.0 44.1 -64.6 -35.2 34.3 20.7 53.9 325 325 A L H < S+ 0 0 1 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.827 120.9 38.7 -78.4 -33.0 32.9 18.0 51.7 326 326 A R H < S+ 0 0 36 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.849 118.9 43.4 -86.4 -38.1 30.3 16.8 54.2 327 327 A E H < S+ 0 0 62 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.703 104.7 65.2 -84.5 -21.5 29.1 20.1 55.7 328 328 A I < - 0 0 3 -4,-0.9 2,-0.5 -5,-0.3 73,-0.2 -0.872 69.2-145.4-113.2 111.4 28.9 22.2 52.5 329 329 A P > - 0 0 26 0, 0.0 3,-2.5 0, 0.0 -41,-0.2 -0.579 42.0-108.0 -69.0 119.2 26.3 21.5 49.8 330 330 A Y T 3 S+ 0 0 18 -2,-0.5 -44,-0.1 68,-0.4 -43,-0.1 -0.263 102.9 18.0 -52.8 121.9 28.3 22.5 46.7 331 331 A G T 3 S+ 0 0 11 1,-0.2 2,-0.5 -43,-0.1 -1,-0.3 0.155 100.1 107.5 103.3 -17.2 26.9 25.7 45.3 332 332 A Q S < S- 0 0 125 -3,-2.5 -1,-0.2 -44,-0.2 -44,-0.2 -0.840 76.4-117.8-100.2 122.6 25.0 26.7 48.5 333 333 A D + 0 0 66 -2,-0.5 -43,-0.2 -3,-0.1 -3,-0.0 -0.339 46.5 178.9 -54.3 132.1 26.4 29.7 50.6 334 334 A T E -m 290 0E 16 -45,-2.4 -43,-2.0 -6,-0.1 2,-0.2 -0.990 29.9-121.4-147.5 136.1 27.2 28.1 53.9 335 335 A P E -m 291 0E 63 0, 0.0 2,-0.3 0, 0.0 -43,-0.2 -0.499 28.6-164.7 -75.5 141.4 28.7 29.2 57.3 336 336 A V + 0 0 2 -45,-2.8 2,-0.3 -2,-0.2 -41,-0.2 -0.903 12.4 166.2-123.8 153.0 31.9 27.4 58.5 337 337 A S > - 0 0 19 -2,-0.3 4,-2.0 -45,-0.1 3,-0.2 -0.983 46.9-116.5-163.6 155.4 33.5 27.3 61.9 338 338 A E H > S+ 0 0 60 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.889 116.3 56.9 -62.5 -37.9 36.1 25.5 64.0 339 339 A E H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 106.4 48.4 -61.5 -37.8 33.3 24.4 66.3 340 340 A A H > S+ 0 0 21 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 112.8 48.0 -71.2 -38.0 31.4 22.8 63.5 341 341 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.926 111.9 50.6 -66.7 -44.4 34.6 21.0 62.3 342 342 A R H X S+ 0 0 88 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.931 112.3 45.2 -59.2 -48.8 35.3 19.9 65.8 343 343 A T H X S+ 0 0 79 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.929 114.2 49.0 -62.3 -44.5 31.8 18.4 66.4 344 344 A R H X>S+ 0 0 39 -4,-2.2 4,-1.7 2,-0.2 5,-0.9 0.908 113.5 48.6 -59.9 -43.4 31.9 16.7 62.9 345 345 A Y H X>S+ 0 0 7 -4,-2.7 5,-2.7 3,-0.2 4,-1.0 0.955 114.4 42.6 -63.4 -52.8 35.3 15.3 63.7 346 346 A E H <>S+ 0 0 88 -4,-2.8 5,-1.4 3,-0.2 -2,-0.2 0.888 122.1 39.9 -63.3 -40.7 34.5 13.9 67.2 347 347 A A H <>S+ 0 0 41 -4,-2.7 5,-2.7 -5,-0.2 -3,-0.2 0.994 127.3 24.7 -72.5 -66.5 31.1 12.5 66.1 348 348 A D H <>S+ 0 0 6 -4,-1.7 5,-1.7 -5,-0.3 -3,-0.2 0.893 133.7 25.6 -68.7 -46.9 31.7 11.1 62.6 349 349 A L I XS+ 0 0 84 -5,-1.4 4,-0.8 -6,-0.4 5,-0.7 0.954 126.4 37.5 -87.6 -73.8 33.5 8.0 67.4 352 352 A D I 4< S- 0 0 8 -4,-1.6 3,-1.1 -5,-0.3 -3,-0.1 0.140 104.7-102.5-138.7 25.0 39.3 -14.5 66.3 369 369 A E T 3 S- 0 0 166 -4,-0.4 -4,-0.2 1,-0.2 -3,-0.1 0.865 79.3 -63.4 56.8 36.4 42.9 -15.3 67.3 370 370 A G T 3 S+ 0 0 8 -6,-1.9 119,-2.1 1,-0.2 2,-0.3 0.787 115.9 94.4 60.5 30.9 43.9 -11.8 66.3 371 371 A R B < S-N 488 0F 99 -3,-1.1 -1,-0.2 -7,-0.7 97,-0.1 -0.933 84.7 -84.3-145.4 167.8 42.9 -12.3 62.6 372 372 A I - 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0 0 99 -4,-3.7 4,-1.9 -5,-0.3 3,-1.9 0.972 8.0-163.3 51.9 79.4 26.8 -8.8 70.3 423 423 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 11,-0.1 0.787 87.1 67.4 -62.2 -24.5 29.6 -11.2 69.2 424 424 A W H 34 S+ 0 0 76 1,-0.2 4,-0.2 2,-0.2 -2,-0.1 0.667 106.9 39.6 -69.5 -15.8 30.9 -11.2 72.8 425 425 A E H X> S+ 0 0 74 -3,-1.9 3,-1.0 -4,-0.2 4,-0.8 0.804 112.2 53.8 -97.7 -40.8 27.7 -13.0 73.8 426 426 A L H 3X S+ 0 0 33 -4,-1.9 4,-2.8 -5,-0.3 7,-0.2 0.827 99.3 66.3 -61.9 -31.8 27.5 -15.3 70.8 427 427 A F H 3< S+ 0 0 71 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 0.820 92.6 63.0 -60.2 -32.8 31.0 -16.4 71.6 428 428 A K H <4 S+ 0 0 134 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.982 122.0 14.3 -55.8 -67.0 29.8 -18.0 74.8 429 429 A K H < S+ 0 0 161 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.729 145.4 17.6 -84.2 -24.9 27.5 -20.7 73.4 430 430 A E >X + 0 0 97 -4,-2.8 4,-1.1 -5,-0.3 3,-0.5 -0.624 55.2 178.3-154.5 91.2 28.8 -20.4 69.8 431 431 A P H >> S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 3,-0.6 0.891 83.3 62.2 -57.5 -45.5 32.1 -18.8 68.8 432 432 A E H 3> S+ 0 0 123 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.869 103.1 51.5 -50.4 -40.1 31.8 -19.6 65.1 433 433 A E H <> S+ 0 0 72 -3,-0.5 4,-1.8 -7,-0.2 -1,-0.3 0.865 107.9 52.0 -66.0 -35.8 28.7 -17.4 65.0 434 434 A A H < S+ 0 0 0 -4,-1.5 3,-1.0 -3,-0.4 -1,-0.2 0.946 107.4 49.6 -68.2 -49.7 36.8 2.6 49.8 451 451 A L H 3< S+ 0 0 3 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.799 114.6 45.6 -59.4 -32.0 33.9 5.0 49.4 452 452 A L H >X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 3,-1.1 0.514 85.4 94.8 -90.7 -7.5 35.5 7.5 51.8 453 453 A T T << S+ 0 0 17 -3,-1.0 7,-0.2 -4,-0.6 -1,-0.2 0.894 79.6 55.5 -52.5 -46.1 39.0 7.3 50.2 454 454 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -420,-0.2 0.792 114.4 41.9 -60.0 -26.3 38.6 10.3 47.9 455 455 A A T <4 S+ 0 0 0 -3,-1.1 -2,-0.2 1,-0.2 -133,-0.1 0.894 133.6 17.5 -85.9 -43.3 37.7 12.4 50.9 456 456 A M S X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.1 5,-0.3 -0.568 71.6 168.7-131.0 69.8 40.3 11.1 53.4 457 457 A P H > S+ 0 0 19 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.902 77.0 39.3 -45.7 -62.1 43.0 9.3 51.3 458 458 A D H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.928 117.0 48.5 -61.4 -47.4 45.7 8.8 53.9 459 459 A K H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.786 110.0 51.1 -66.3 -29.4 43.4 8.0 56.8 460 460 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.836 110.0 49.9 -77.0 -31.7 41.4 5.4 54.9 461 461 A A H X S+ 0 0 24 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.906 111.5 49.6 -69.2 -39.4 44.6 3.7 53.8 462 462 A E H X S+ 0 0 32 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.852 108.9 52.2 -65.4 -37.0 45.7 3.7 57.5 463 463 A L H X S+ 0 0 1 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.944 109.8 49.2 -62.8 -48.1 42.3 2.2 58.4 464 464 A R H ><>S+ 0 0 6 -4,-2.2 5,-2.9 1,-0.2 3,-0.7 0.915 111.3 49.3 -57.5 -45.3 42.8 -0.5 55.9 465 465 A R H ><5S+ 0 0 108 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.869 103.5 61.0 -63.3 -36.3 46.3 -1.2 57.2 466 466 A A H 3<5S+ 0 0 9 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.781 111.1 39.7 -62.6 -26.2 44.9 -1.3 60.8 467 467 A L T <<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.279 115.1-113.7-105.5 8.8 42.8 -4.3 59.8 468 468 A G T < 5 + 0 0 12 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.800 68.0 147.5 64.4 28.0 45.4 -5.9 57.6 469 469 A L < - 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