==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 05-DEC-03 1RQG . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR T.CREPIN,E.SCHMITT,S.BLANQUET,Y.MECHULAM . 606 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 40 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 3.8 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 4 1 0 3 0 1 5 2 3 0 0 1 1 0 0 1 1 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 1 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 PARALLEL BRIDGES PER LADDER . 9 3 0 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 3 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 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 0 184 0, 0.0 2,-0.1 0, 0.0 287,-0.0 0.000 360.0 360.0 360.0 114.0 19.2 49.9 89.8 2 2 A V - 0 0 25 287,-0.1 40,-0.6 1,-0.0 2,-0.3 -0.332 360.0-157.1 -73.3 154.5 17.4 46.7 90.8 3 3 A R E -ab 42 289A 35 285,-0.8 287,-1.9 38,-0.1 2,-0.5 -0.819 19.5-127.2-122.4 161.3 18.2 44.7 93.8 4 4 A Y E -ab 43 290A 22 38,-3.9 40,-2.9 -2,-0.3 2,-0.8 -0.964 16.2-165.3-125.3 132.5 17.3 41.0 94.0 5 5 A M E -ab 44 291A 0 285,-1.8 287,-1.3 -2,-0.5 2,-0.4 -0.882 26.5-176.0-107.7 95.6 15.4 39.1 96.7 6 6 A V E +ab 45 292A 0 38,-3.2 40,-2.6 -2,-0.8 2,-0.3 -0.807 7.0 171.4-101.0 135.3 16.1 35.5 95.8 7 7 A T E -ab 46 293A 0 285,-1.9 287,-2.0 -2,-0.4 2,-0.3 -0.835 22.6-143.6-132.1 169.5 14.6 32.4 97.5 8 8 A S E - b 0 294A 0 38,-1.0 40,-0.3 -2,-0.3 287,-0.2 -0.971 46.1 -85.4-130.5 142.0 14.5 28.6 97.0 9 9 A A - 0 0 12 285,-1.9 16,-0.1 -2,-0.3 286,-0.0 -0.249 53.8-105.1 -51.0 128.3 11.4 26.5 97.8 10 10 A L - 0 0 24 39,-0.1 2,-0.2 1,-0.1 39,-0.2 -0.363 33.9-128.9 -58.2 121.0 11.5 25.7 101.5 11 11 A P - 0 0 13 0, 0.0 39,-2.3 0, 0.0 2,-0.3 -0.571 26.2-111.6 -74.4 137.8 12.5 22.0 101.9 12 12 A Y B > -e 50 0B 70 -2,-0.2 2,-1.8 37,-0.2 3,-0.8 -0.517 18.1-131.8 -72.3 131.6 10.2 20.1 104.2 13 13 A A T 3 S+ 0 0 0 37,-2.7 61,-0.2 -2,-0.3 62,-0.1 -0.211 85.5 93.7 -78.8 50.1 11.8 19.0 107.4 14 14 A N T 3 S- 0 0 28 -2,-1.8 -1,-0.2 1,-0.3 57,-0.1 0.305 96.4 -15.7-120.4 4.6 10.5 15.4 107.2 15 15 A G S < S- 0 0 19 -3,-0.8 -1,-0.3 56,-0.1 2,-0.1 -0.983 81.1 -62.8 174.6 178.1 13.6 14.0 105.5 16 16 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.402 51.5-106.6 -82.9 161.7 16.9 14.6 103.6 17 17 A I - 0 0 3 -2,-0.1 338,-1.4 -6,-0.1 339,-0.5 -0.604 29.2-157.9 -91.4 150.4 17.2 16.2 100.2 18 18 A H B >> -F 354 0C 23 336,-0.3 4,-1.9 -2,-0.2 3,-1.5 -0.795 38.1 -93.4-120.8 165.0 18.0 14.4 97.0 19 19 A A H 3> S+ 0 0 0 334,-2.7 4,-3.5 1,-0.3 5,-0.4 0.770 122.9 62.3 -49.4 -32.2 19.5 15.5 93.7 20 20 A G H 3> S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.924 107.9 43.4 -60.2 -42.7 16.0 16.0 92.3 21 21 A H H <>>S+ 0 0 84 -3,-1.5 4,-2.1 2,-0.2 5,-0.7 0.938 118.5 44.0 -64.4 -50.8 15.4 18.6 95.0 22 22 A L H X>S+ 0 0 2 -4,-1.9 5,-2.0 2,-0.2 4,-1.3 0.964 117.1 43.6 -61.3 -56.5 18.8 20.2 94.4 23 23 A A H <5S+ 0 0 0 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.870 115.0 55.6 -56.7 -36.0 18.7 20.1 90.6 24 24 A G H <5S- 0 0 9 -4,-1.8 311,-0.5 -5,-0.4 -2,-0.2 0.840 132.6 -16.9 -69.9 -37.6 15.1 21.3 90.9 25 25 A A H <5S+ 0 0 6 -4,-2.1 4,-0.3 -3,-0.3 -3,-0.2 0.540 126.0 50.6-149.2 -9.7 15.4 24.5 93.0 26 26 A Y T X S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.979 112.0 47.8 -56.9 -55.5 19.8 26.7 89.9 29 29 A A H > S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.835 111.5 51.1 -52.3 -39.2 19.3 29.5 92.5 30 30 A D H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.948 109.4 48.8 -66.6 -48.6 22.9 29.2 93.7 31 31 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.893 115.4 46.4 -56.5 -42.4 24.4 29.5 90.2 32 32 A F H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.951 114.3 44.9 -65.8 -52.1 22.2 32.5 89.6 33 33 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.926 110.8 52.3 -63.7 -46.3 22.9 34.3 93.0 34 34 A R H X S+ 0 0 22 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.950 110.2 50.5 -53.8 -50.7 26.7 33.7 92.9 35 35 A Y H X S+ 0 0 12 -4,-1.6 4,-2.1 -5,-0.3 3,-0.4 0.970 108.7 51.2 -48.3 -60.9 26.7 35.3 89.4 36 36 A L H <>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.3 4,-0.4 0.835 110.3 50.1 -47.1 -38.9 24.8 38.2 90.6 37 37 A R H ><5S+ 0 0 84 -4,-2.3 3,-1.2 1,-0.2 -1,-0.3 0.913 109.1 49.4 -69.9 -41.4 27.3 38.7 93.4 38 38 A L H 3<5S+ 0 0 10 -4,-2.7 489,-2.7 -3,-0.4 490,-0.3 0.790 107.3 57.1 -65.7 -25.2 30.2 38.5 91.1 39 39 A K T 3<5S- 0 0 93 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.620 116.0-122.4 -77.8 -14.7 28.3 41.1 89.0 40 40 A G T < 5 + 0 0 63 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.448 60.5 151.5 85.3 1.7 28.4 43.2 92.2 41 41 A E < - 0 0 49 -5,-1.9 2,-0.8 -6,-0.2 -1,-0.2 -0.025 54.8-105.0 -59.1 165.6 24.6 43.4 92.1 42 42 A D E +a 3 0A 64 -40,-0.6 -38,-3.9 -3,-0.1 2,-0.4 -0.854 56.9 155.3 -99.3 103.2 22.5 43.8 95.3 43 43 A V E -a 4 0A 15 -2,-0.8 2,-0.4 -40,-0.2 -38,-0.2 -0.979 31.7-159.8-134.4 145.0 21.0 40.4 96.1 44 44 A V E -a 5 0A 6 -40,-2.9 -38,-3.2 -2,-0.4 2,-0.6 -0.976 10.8-159.7-119.6 133.9 19.7 38.5 99.2 45 45 A F E +a 6 0A 0 -2,-0.4 45,-2.3 -40,-0.2 46,-1.1 -0.938 18.3 178.1-121.5 108.1 19.4 34.7 99.0 46 46 A I E +ac 7 91A 0 -40,-2.6 -38,-1.0 -2,-0.6 2,-0.3 -0.829 12.5 137.9-117.0 150.5 17.1 33.2 101.6 47 47 A C E + c 0 92A 0 44,-1.5 46,-2.2 -2,-0.3 2,-0.3 -0.964 9.2 162.4-172.1 168.7 15.8 29.7 102.6 48 48 A G E - c 0 93A 0 44,-0.3 2,-0.3 -2,-0.3 46,-0.3 -0.962 45.2 -63.0-179.4 176.8 15.0 27.5 105.6 49 49 A T E - c 0 94A 0 44,-1.8 46,-2.1 -2,-0.3 2,-0.8 -0.625 34.7-134.4 -87.0 138.4 13.1 24.4 106.6 50 50 A D B +e 12 0B 19 -39,-2.3 -37,-2.7 -2,-0.3 -1,-0.0 -0.801 31.3 178.9 -84.1 114.3 9.3 24.2 106.4 51 51 A E + 0 0 0 -2,-0.8 2,-0.2 -39,-0.2 20,-0.1 0.229 44.3 64.0-112.0 18.8 8.6 22.7 109.8 52 52 A H + 0 0 1 201,-0.1 4,-0.3 4,-0.0 -39,-0.1 -0.626 53.7 92.4-126.2-174.6 4.8 22.2 110.2 53 53 A G S > S- 0 0 4 182,-0.4 4,-1.3 -2,-0.2 5,-0.1 -0.295 80.9 -73.5 111.4 161.7 2.1 20.3 108.5 54 54 A T H > S+ 0 0 6 2,-0.2 4,-3.1 1,-0.2 3,-0.3 0.941 119.9 60.6 -58.9 -51.9 0.4 16.9 108.9 55 55 A P H > S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.902 104.0 46.2 -40.4 -67.8 3.3 14.7 107.7 56 56 A I H > S+ 0 0 0 -4,-0.3 4,-1.4 1,-0.3 -2,-0.2 0.886 115.5 49.6 -45.2 -43.8 5.9 15.8 110.3 57 57 A S H X S+ 0 0 16 -4,-1.3 4,-1.4 -3,-0.3 -1,-0.3 0.928 109.9 51.1 -61.2 -48.2 3.1 15.3 112.9 58 58 A F H >X S+ 0 0 36 -4,-3.1 4,-2.4 1,-0.2 3,-1.3 0.980 107.7 50.7 -50.7 -66.7 2.4 11.8 111.4 59 59 A R H 3X S+ 0 0 70 -4,-2.5 4,-2.8 1,-0.3 -1,-0.2 0.772 104.6 61.7 -42.9 -34.4 6.0 10.7 111.5 60 60 A A H 3X>S+ 0 0 6 -4,-1.4 5,-2.5 -5,-0.3 4,-0.5 0.921 106.7 40.9 -63.7 -45.8 6.1 11.8 115.2 61 61 A L H X<5S+ 0 0 88 -4,-1.4 3,-0.6 -3,-1.3 -2,-0.2 0.918 113.7 59.2 -67.5 -39.5 3.4 9.4 116.2 62 62 A K H 3<5S+ 0 0 144 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.951 118.3 25.2 -51.5 -62.8 5.1 6.9 114.0 63 63 A E H 3<5S- 0 0 129 -4,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.327 109.7-116.7 -88.6 10.1 8.5 6.9 115.7 64 64 A G T <<5S+ 0 0 65 -3,-0.6 2,-0.3 -4,-0.5 -3,-0.2 0.954 73.8 125.1 54.0 54.0 7.0 8.0 119.0 65 65 A R < - 0 0 57 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.952 67.0 -98.1-138.0 154.7 8.9 11.3 119.0 66 66 A S >> - 0 0 52 -2,-0.3 4,-1.6 1,-0.1 3,-0.5 -0.460 30.8-120.5 -75.0 147.2 7.7 14.9 119.3 67 67 A P H 3> S+ 0 0 29 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.834 115.7 57.5 -54.8 -31.9 7.4 16.9 116.0 68 68 A R H 3> S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.889 99.9 57.4 -66.2 -41.0 9.9 19.3 117.4 69 69 A E H <> S+ 0 0 99 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.953 109.8 43.8 -55.6 -51.8 12.5 16.5 117.8 70 70 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.904 112.9 48.7 -65.1 -42.1 12.3 15.6 114.2 71 71 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.849 110.2 53.2 -67.7 -31.3 12.4 19.1 112.7 72 72 A D H X S+ 0 0 63 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.896 110.9 48.6 -66.8 -37.2 15.4 20.0 114.9 73 73 A E H X S+ 0 0 109 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.932 115.9 40.8 -69.0 -45.6 17.1 16.9 113.6 74 74 A F H X S+ 0 0 15 -4,-2.6 4,-2.7 -61,-0.2 5,-0.3 0.730 106.0 62.0 -78.2 -21.7 16.4 17.6 109.9 75 75 A H H X S+ 0 0 22 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.944 111.5 41.3 -67.5 -40.9 17.0 21.3 110.1 76 76 A E H X S+ 0 0 101 -4,-1.3 4,-2.5 2,-0.2 5,-0.3 0.947 115.0 50.1 -67.2 -49.7 20.6 20.5 111.1 77 77 A Q H X S+ 0 0 44 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.911 118.0 39.7 -56.0 -45.0 20.9 17.6 108.6 78 78 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.894 112.6 53.1 -75.6 -41.2 19.7 19.8 105.8 79 79 A K H X S+ 0 0 80 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.926 114.2 43.9 -60.7 -43.6 21.5 23.0 106.7 80 80 A I H X S+ 0 0 65 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.895 110.6 55.5 -67.3 -40.4 24.8 21.1 106.8 81 81 A T H X S+ 0 0 3 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.935 107.1 49.2 -58.7 -45.1 23.9 19.3 103.6 82 82 A F H X>S+ 0 0 3 -4,-2.7 5,-2.6 2,-0.2 4,-0.9 0.848 109.5 52.1 -62.9 -33.6 23.4 22.6 101.8 83 83 A Q H ><5S+ 0 0 104 -4,-1.5 3,-0.9 2,-0.2 -1,-0.2 0.949 110.6 48.3 -66.4 -43.0 26.8 23.8 103.2 84 84 A R H 3<5S+ 0 0 86 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.891 110.4 51.1 -60.9 -40.0 28.2 20.6 101.8 85 85 A A H 3<5S- 0 0 3 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.643 112.7-124.4 -71.3 -15.9 26.5 21.3 98.5 86 86 A K T <<5 + 0 0 67 -3,-0.9 2,-0.8 -4,-0.9 -3,-0.2 0.889 51.2 161.4 71.3 39.5 28.0 24.8 98.6 87 87 A I < - 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0 0 3 117,-2.4 116,-2.3 -2,-0.5 117,-0.3 -0.389 36.3-135.1 -60.9 108.6 54.1 35.6 84.0 420 420 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 116,-0.1 -0.102 19.7-107.6 -59.9 156.0 55.9 36.4 80.7 421 421 A E - 0 0 156 113,-0.1 2,-0.4 1,-0.0 70,-0.1 -0.711 35.3-114.1 -90.9 140.8 55.4 39.7 79.0 422 422 A R - 0 0 72 -2,-0.3 3,-0.1 66,-0.1 63,-0.1 -0.594 29.9-171.6 -81.6 128.5 53.4 39.8 75.8 423 423 A G - 0 0 24 61,-0.4 -1,-0.1 -2,-0.4 62,-0.0 -0.071 54.8 -27.5 -95.9-159.7 55.0 40.7 72.4 424 424 A E - 0 0 177 1,-0.1 2,-0.4 -2,-0.1 -1,-0.3 -0.155 66.9-135.1 -51.3 149.3 53.2 41.2 69.1 425 425 A L - 0 0 61 -3,-0.1 -1,-0.1 4,-0.1 2,-0.1 -0.937 15.6-161.6-113.0 131.9 49.9 39.4 68.9 426 426 A D > - 0 0 63 -2,-0.4 4,-2.5 4,-0.0 5,-0.2 -0.145 48.3 -71.3 -93.5-165.0 48.8 37.4 65.8 427 427 A E H > S+ 0 0 132 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.934 132.0 45.0 -56.8 -53.2 45.3 36.4 64.9 428 428 A L H > S+ 0 0 32 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.910 112.6 50.9 -60.7 -42.6 45.0 33.7 67.5 429 429 A D H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.953 114.6 45.2 -57.2 -47.3 46.5 35.8 70.3 430 430 A R H X S+ 0 0 143 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.864 115.6 46.4 -60.7 -42.7 44.0 38.6 69.3 431 431 A E H X S+ 0 0 77 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.809 106.9 58.8 -72.8 -32.6 41.1 36.1 69.1 432 432 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.914 106.4 45.4 -65.6 -44.8 41.9 34.5 72.4 433 433 A L H X S+ 0 0 42 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.811 113.6 52.4 -69.4 -27.3 41.7 37.6 74.5 434 434 A E H X S+ 0 0 89 -4,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.874 103.5 56.1 -73.2 -40.4 38.4 38.4 72.6 435 435 A E H X S+ 0 0 33 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.884 102.8 56.5 -57.2 -42.4 37.0 34.9 73.4 436 436 A I H X S+ 0 0 3 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.935 109.9 44.8 -56.8 -44.6 37.6 35.7 77.1 437 437 A E H X S+ 0 0 140 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.948 111.8 52.8 -63.6 -47.6 35.4 38.8 76.6 438 438 A K H X S+ 0 0 110 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.917 107.8 51.5 -53.3 -49.8 32.8 36.9 74.7 439 439 A A H X>S+ 0 0 0 -4,-3.1 4,-3.2 2,-0.2 5,-0.5 0.977 109.0 48.0 -53.3 -64.7 32.5 34.2 77.4 440 440 A F H X5S+ 0 0 16 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.883 115.8 47.7 -43.6 -46.0 31.9 36.7 80.3 441 441 A K H X5S+ 0 0 121 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.971 119.3 35.2 -62.0 -57.5 29.3 38.4 78.1 442 442 A E H X5S+ 0 0 85 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.898 115.1 52.8 -68.5 -44.6 27.4 35.4 77.0 443 443 A V H X5S+ 0 0 0 -4,-3.2 4,-2.2 -5,-0.3 5,-0.2 0.964 109.1 52.9 -56.6 -49.0 27.7 33.2 80.1 444 444 A G H XS+ 0 0 27 -4,-2.8 5,-3.1 1,-0.2 3,-0.4 0.874 109.9 48.9 -60.9 -35.7 22.6 32.8 79.7 447 447 A I H ><5S+ 0 0 0 -4,-2.2 3,-3.4 1,-0.2 -2,-0.2 0.968 104.7 54.9 -68.5 -53.8 22.5 32.8 83.5 448 448 A M H 3<5S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.604 110.7 51.2 -56.5 -8.7 20.1 35.8 83.8 449 449 A N T 3<5S- 0 0 104 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.284 117.8-111.7-112.0 9.1 17.9 33.7 81.6 450 450 A Y T < 5S+ 0 0 49 -3,-3.4 2,-0.9 1,-0.2 3,-0.2 0.740 74.9 135.5 68.4 24.6 18.0 30.5 83.6 451 451 A R >< + 0 0 108 -5,-3.1 4,-1.8 1,-0.2 -1,-0.2 -0.596 14.7 148.1-102.9 69.8 19.9 28.8 80.9 452 452 A F H > + 0 0 2 -2,-0.9 4,-3.4 2,-0.2 5,-0.3 0.909 65.8 56.1 -71.9 -44.8 22.5 27.1 83.2 453 453 A K H > S+ 0 0 36 -3,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.882 117.2 38.5 -55.6 -38.0 23.1 23.9 81.2 454 454 A D H > S+ 0 0 59 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.793 113.4 55.7 -82.2 -31.3 24.0 26.2 78.3 455 455 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 3,-0.2 0.954 108.6 46.8 -65.5 -48.6 25.8 28.7 80.5 456 456 A L H X S+ 0 0 4 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.836 110.5 55.6 -60.3 -32.3 28.1 26.0 81.9 457 457 A K H X S+ 0 0 121 -4,-0.8 4,-2.2 -5,-0.3 -1,-0.2 0.867 101.1 55.8 -68.7 -38.0 28.6 24.9 78.3 458 458 A R H X S+ 0 0 34 -4,-1.9 4,-1.0 -3,-0.2 -1,-0.2 0.858 110.9 47.1 -63.4 -32.5 29.7 28.3 77.2 459 459 A V H >X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 3,-0.6 0.941 108.7 50.8 -74.0 -50.2 32.4 28.0 79.9 460 460 A M H 3X S+ 0 0 17 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.895 107.4 56.2 -56.1 -35.8 33.5 24.5 79.1 461 461 A S H 3X S+ 0 0 41 -4,-2.2 4,-2.8 2,-0.2 -1,-0.3 0.848 101.3 56.3 -65.8 -33.8 34.0 25.6 75.5 462 462 A L H X S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 4,-1.0 0.928 110.2 58.6 -54.3 -53.3 47.7 25.4 73.0 471 471 A D H 3< S+ 0 0 85 -4,-3.4 2,-0.2 1,-0.3 -1,-0.2 0.845 115.5 35.8 -49.0 -41.6 47.5 22.4 70.7 472 472 A H T 3< S+ 0 0 99 -4,-2.7 -1,-0.3 -3,-0.3 -2,-0.1 -0.418 112.6 54.6-117.3 62.7 48.1 24.6 67.7 473 473 A K T <4 S- 0 0 22 -3,-1.3 5,-0.2 -2,-0.2 -2,-0.2 0.108 87.4-153.6-157.9 -14.1 50.6 27.1 69.0 474 474 A Q >X - 0 0 96 -4,-1.0 4,-2.3 -3,-0.2 3,-1.1 0.740 16.9-176.1 26.5 70.2 53.0 24.3 70.2 475 475 A P H 3> S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.796 80.1 63.1 -54.5 -36.9 54.8 26.1 73.2 476 476 A W H 34 S+ 0 0 113 2,-0.2 4,-0.1 1,-0.1 -2,-0.1 0.755 112.8 36.2 -64.9 -23.1 57.1 23.0 73.7 477 477 A K H X4 S+ 0 0 118 -3,-1.1 3,-2.9 2,-0.1 4,-0.2 0.910 115.1 52.1 -90.1 -64.1 58.4 23.5 70.2 478 478 A T H >X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.3 3,-1.2 0.675 98.3 68.9 -44.7 -25.7 58.4 27.4 70.1 479 479 A A T 3< S+ 0 0 26 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.696 95.9 53.1 -72.0 -19.4 60.4 27.4 73.4 480 480 A K T <4 S+ 0 0 161 -3,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.287 125.6 21.9 -96.8 8.7 63.5 26.0 71.7 481 481 A E T <4 S+ 0 0 77 -3,-1.2 2,-0.5 -4,-0.2 -2,-0.2 0.565 126.3 27.4-137.2 -57.2 63.4 28.7 69.0 482 482 A D X - 0 0 78 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 -0.809 52.5-178.9-123.8 93.0 61.6 31.9 69.9 483 483 A K H > S+ 0 0 67 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.950 86.3 51.6 -47.9 -64.5 61.4 32.8 73.6 484 484 A V H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -61,-0.4 0.830 108.9 54.1 -42.6 -41.6 59.4 36.0 73.2 485 485 A R H >> S+ 0 0 65 -3,-0.3 4,-2.0 2,-0.2 3,-0.9 0.982 108.3 45.6 -60.1 -60.0 56.9 33.9 71.2 486 486 A T H 3X S+ 0 0 2 -4,-2.1 4,-3.4 -8,-0.3 5,-0.2 0.868 106.9 62.6 -50.7 -40.5 56.4 31.3 73.8 487 487 A G H 3X S+ 0 0 2 -4,-2.6 4,-3.2 -5,-0.2 -1,-0.3 0.904 105.1 45.1 -53.8 -44.9 56.0 34.1 76.3 488 488 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 3,-0.7 0.900 108.1 52.7 -69.3 -42.7 39.1 34.0 83.5 500 500 A L H 3X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.3 -1,-0.2 0.734 103.8 63.7 -64.3 -20.5 38.0 30.4 83.8 501 501 A G H 3X S+ 0 0 0 -4,-1.0 4,-0.9 2,-0.2 -1,-0.3 0.863 110.0 33.1 -73.0 -36.9 38.6 31.0 87.4 502 502 A I H << S+ 0 0 4 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.1 0.910 117.5 53.6 -84.5 -46.0 35.9 33.6 87.8 503 503 A L H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 -3,-0.2 0.860 108.1 51.2 -55.2 -42.5 33.5 32.1 85.2 504 504 A L H >X S+ 0 0 1 -4,-1.6 3,-3.1 -5,-0.3 4,-2.0 0.934 88.7 83.6 -63.0 -47.1 33.6 28.7 86.9 505 505 A E T 3< S+ 0 0 27 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.737 85.5 53.6 -23.1 -63.2 32.8 30.1 90.4 506 506 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -472,-0.2 0.825 123.3 30.6 -50.4 -30.9 29.0 30.2 90.0 507 507 A F T <4 S+ 0 0 0 -3,-3.1 -2,-0.2 -4,-0.4 -3,-0.1 0.906 135.0 18.7 -95.6 -50.8 29.1 26.6 89.0 508 508 A L X - 0 0 2 -4,-2.0 4,-1.0 1,-0.1 -1,-0.2 -0.784 60.7-179.2-128.1 88.5 32.0 25.0 90.8 509 509 A P H > S+ 0 0 11 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.849 82.6 48.5 -50.9 -43.7 33.1 27.1 93.8 510 510 A D H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.861 109.7 47.5 -70.4 -41.7 35.9 24.8 94.8 511 511 A A H > S+ 0 0 0 1,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.660 112.4 57.5 -71.8 -15.4 37.5 24.3 91.4 512 512 A S H X S+ 0 0 0 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.911 108.9 39.6 -79.1 -47.2 37.2 28.1 91.4 513 513 A E H X S+ 0 0 89 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.825 112.4 59.6 -72.0 -30.6 39.2 28.7 94.6 514 514 A K H X S+ 0 0 72 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.960 108.6 43.1 -61.4 -48.9 41.6 25.9 93.5 515 515 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.873 110.6 56.0 -64.0 -38.0 42.4 27.9 90.3 516 516 A W H <>S+ 0 0 6 -4,-1.8 5,-2.7 2,-0.2 -1,-0.2 0.838 109.7 46.2 -63.6 -34.9 42.6 31.2 92.2 517 517 A H H ><5S+ 0 0 79 -4,-2.0 3,-0.9 3,-0.2 22,-0.2 0.911 110.0 52.7 -74.5 -42.8 45.3 29.7 94.5 518 518 A L H 3<5S+ 0 0 12 -4,-2.2 21,-2.6 1,-0.3 -2,-0.2 0.900 113.1 44.0 -56.9 -42.6 47.2 28.2 91.6 519 519 A L T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 19,-0.2 -2,-0.2 0.525 114.1-131.8 -76.7 -8.9 47.3 31.6 90.0 520 520 A N T < 5 + 0 0 54 -3,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.957 44.6 167.4 55.7 62.1 48.1 32.8 93.5 521 521 A L < + 0 0 21 -5,-2.7 -1,-0.2 1,-0.1 -2,-0.1 -0.852 40.1 176.7-115.3 143.4 45.5 35.6 93.7 522 522 A D + 0 0 156 -2,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.704 50.1 125.5-100.9 -35.6 44.1 37.9 96.5 523 523 A E S S- 0 0 48 1,-0.1 2,-0.3 -7,-0.1 -2,-0.1 0.137 73.8-111.2 -25.6 123.0 42.0 39.8 94.0 524 524 A V - 0 0 115 1,-0.1 -1,-0.1 0, 0.0 2,-0.1 -0.517 41.6-106.9 -64.1 123.7 38.4 39.8 95.1 525 525 A K + 0 0 38 -2,-0.3 2,-0.3 -3,-0.2 -1,-0.1 -0.330 54.4 160.9 -57.7 125.4 36.6 37.6 92.5 526 526 A R - 0 0 77 2,-0.1 -487,-0.2 -2,-0.1 -488,-0.1 -0.977 50.5-117.2-146.5 158.5 34.5 39.7 90.1 527 527 A W S S+ 0 0 10 -489,-2.7 2,-0.9 -2,-0.3 -488,-0.1 0.649 91.1 89.2 -71.8 -15.4 32.8 39.5 86.7 528 528 A E S S- 0 0 99 -490,-0.3 -2,-0.1 1,-0.0 2,-0.1 -0.757 79.3-137.0 -86.7 106.8 34.9 42.4 85.3 529 529 A F - 0 0 57 -2,-0.9 2,-0.4 -93,-0.1 -2,-0.1 -0.335 24.3-179.2 -69.3 141.5 38.1 40.7 83.9 530 530 A R - 0 0 114 -2,-0.1 -2,-0.0 -35,-0.1 -32,-0.0 -0.992 30.4-112.8-140.2 126.7 41.6 42.1 84.3 531 531 A E - 0 0 94 -2,-0.4 -39,-0.1 1,-0.1 -36,-0.0 -0.039 32.3-100.1 -58.5 161.2 44.6 40.4 82.8 532 532 A L - 0 0 0 -41,-0.2 -1,-0.1 1,-0.1 -37,-0.1 -0.710 45.9-119.5 -81.9 129.0 47.4 38.7 84.9 533 533 A P > - 0 0 66 0, 0.0 3,-1.4 0, 0.0 -114,-0.2 -0.355 25.3-103.6 -71.5 150.9 50.3 41.2 85.1 534 534 A A T 3 S+ 0 0 41 1,-0.2 3,-0.1 -116,-0.1 -113,-0.1 -0.515 109.3 34.3 -72.2 140.0 53.7 40.3 83.7 535 535 A G T 3 S+ 0 0 50 -116,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.486 84.6 144.0 93.6 3.5 56.1 39.4 86.5 536 536 A H < - 0 0 36 -3,-1.4 -117,-2.4 -117,-0.3 2,-0.7 -0.583 50.7-125.0 -79.1 138.0 53.3 37.9 88.6 537 537 A K B -T 418 0N 141 -2,-0.3 2,-0.2 -119,-0.2 -119,-0.2 -0.756 27.7-170.0 -92.9 111.7 54.3 34.8 90.6 538 538 A V - 0 0 16 -121,-3.0 -19,-0.2 -2,-0.7 -20,-0.1 -0.608 22.3-108.4 -95.8 155.2 52.2 31.7 90.0 539 539 A R - 0 0 120 -21,-2.6 -1,-0.1 -22,-0.2 3,-0.1 -0.235 41.0 -80.9 -80.4 169.6 52.3 28.5 92.0 540 540 A K - 0 0 160 1,-0.1 -1,-0.1 -124,-0.0 -131,-0.1 -0.441 62.3 -82.4 -71.9 142.0 53.7 25.0 91.1 541 541 A P + 0 0 41 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.176 56.2 172.9 -49.1 118.4 51.5 22.8 88.9 542 542 A E - 0 0 125 -3,-0.1 2,-0.4 -137,-0.0 -133,-0.1 -0.203 34.9 -98.2-107.0-160.8 48.9 20.9 91.0 543 543 A I - 0 0 83 1,-0.1 3,-0.1 -2,-0.1 -141,-0.1 -0.945 21.1-160.9-123.0 147.6 46.1 18.8 89.7 544 544 A L S S+ 0 0 9 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.898 70.5 10.4 -94.7 -47.1 42.6 20.0 89.4 545 545 A F - 0 0 9 -148,-0.1 2,-0.5 -149,-0.1 -1,-0.3 -0.989 58.1-142.4-139.2 142.8 40.5 16.9 89.2 546 546 A K - 0 0 150 -2,-0.4 3,-0.1 -3,-0.1 -149,-0.1 -0.858 40.0-104.2-101.3 131.2 41.0 13.2 89.8 547 547 A K - 0 0 87 -2,-0.5 2,-0.1 1,-0.1 -158,-0.1 -0.215 35.5-108.6 -55.9 136.8 39.1 10.9 87.4 548 548 A V - 0 0 6 -159,-0.3 2,-0.2 -160,-0.1 -1,-0.1 -0.386 39.9-143.6 -63.9 144.0 36.0 9.1 88.8 549 549 A T > - 0 0 56 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.700 23.4-133.1-113.2 162.7 36.5 5.4 89.3 550 550 A D H > S+ 0 0 68 -2,-0.2 4,-2.7 2,-0.2 5,-0.3 0.799 112.0 61.7 -78.4 -29.2 34.5 2.2 88.9 551 551 A D H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.869 106.4 46.8 -61.5 -36.1 35.8 1.3 92.3 552 552 A Q H > S+ 0 0 63 2,-0.2 4,-2.8 3,-0.2 -2,-0.2 0.959 111.3 47.3 -71.7 -53.4 34.0 4.4 93.6 553 553 A I H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.923 115.2 46.9 -55.0 -47.2 30.7 3.9 91.8 554 554 A I H X S+ 0 0 3 -4,-2.7 4,-3.6 1,-0.2 5,-0.4 0.962 111.3 50.9 -60.8 -49.9 30.6 0.3 93.0 555 555 A Y H X S+ 0 0 56 -4,-2.0 4,-3.1 -5,-0.3 5,-0.2 0.912 113.9 46.5 -52.4 -43.9 31.5 1.2 96.5 556 556 A F H X>S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.6 0.975 114.0 45.1 -62.1 -58.4 28.7 3.8 96.4 557 557 A I H <>S+ 0 0 0 -4,-3.2 5,-3.4 1,-0.2 -2,-0.2 0.924 120.1 42.3 -51.6 -50.5 26.1 1.5 94.9 558 558 A L H <>S+ 0 0 5 -4,-3.6 5,-0.7 -5,-0.2 -1,-0.2 0.919 118.4 43.7 -63.8 -47.1 27.0 -1.2 97.4 559 559 A N H <5S+ 0 0 60 -4,-3.1 -2,-0.2 -5,-0.4 -1,-0.2 0.792 134.9 7.1 -72.9 -32.2 27.4 0.9 100.5 560 560 A Y T <5S+ 0 0 44 -4,-3.0 5,-0.2 -5,-0.2 -3,-0.2 0.710 129.5 44.2-112.5 -73.7 24.3 3.1 100.1 561 561 A M T >4 S+ 0 0 46 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.843 84.0 52.8 -55.1 -37.7 19.3 -4.6 97.0 567 567 A E H > S+ 0 0 97 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.945 106.6 52.4 -66.6 -45.9 17.5 -5.5 93.7 568 568 A G H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.927 114.0 44.4 -53.7 -45.7 18.0 -1.9 92.5 569 569 A A H >X S+ 0 0 0 -4,-2.1 4,-3.2 -7,-0.2 3,-0.7 0.977 111.6 51.2 -62.1 -57.5 21.7 -2.3 93.2 570 570 A R H 3X S+ 0 0 61 -4,-3.2 4,-1.9 1,-0.3 -2,-0.2 0.907 109.5 51.1 -46.5 -51.6 22.0 -5.8 91.7 571 571 A I H 3< S+ 0 0 60 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.848 113.9 44.7 -58.3 -35.4 20.4 -4.6 88.5 572 572 A L H XX S+ 0 0 6 -4,-1.6 3,-1.2 -3,-0.7 4,-0.8 0.940 113.2 51.0 -73.7 -46.1 22.8 -1.7 88.3 573 573 A L H >X S+ 0 0 0 -4,-3.2 4,-4.0 1,-0.3 3,-2.1 0.973 111.2 41.5 -55.5 -68.9 25.9 -3.7 89.1 574 574 A D H 3< S+ 0 0 46 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.087 111.5 62.5 -74.1 31.3 25.7 -6.6 86.7 575 575 A K H <4 S+ 0 0 118 -3,-1.2 -1,-0.3 -2,-0.6 -2,-0.2 0.474 121.2 18.1-121.5 -24.4 24.6 -4.1 84.1 576 576 A Y H << S+ 0 0 59 -3,-2.1 2,-0.3 -4,-0.8 -2,-0.2 0.581 128.6 40.9-118.7 -28.0 27.8 -2.1 84.2 577 577 A Y S < S- 0 0 35 -4,-4.0 2,-0.2 -5,-0.3 -1,-0.2 -0.927 73.2-114.3-135.4 155.7 30.1 -4.6 85.8 578 578 A K >> - 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