==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-MAY-03 1PG0 . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.CREPIN,E.SCHMITT,Y.MECHULAM,P.B.SAMPSON,M.D.VAUGHAN, . 492 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 28 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 43.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.9 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 1 1 2 3 0 4 0 0 1 0 2 0 1 1 1 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 3 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 . 5 1 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 4 A A 0 0 123 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 88.8 -15.3 3.4 32.1 2 5 A K - 0 0 88 1,-0.0 39,-2.8 228,-0.0 2,-0.6 -0.278 360.0-124.3 -78.2 165.6 -13.3 5.3 29.5 3 6 A K E -a 41 0A 64 226,-0.3 228,-2.9 37,-0.2 2,-0.4 -0.974 36.6-176.7-112.0 120.5 -11.0 3.7 26.8 4 7 A I E -ab 42 231A 0 37,-3.1 39,-2.5 -2,-0.6 2,-0.5 -0.974 20.9-167.6-128.2 136.6 -7.5 5.1 27.1 5 8 A L E -ab 43 232A 1 226,-2.5 228,-2.7 -2,-0.4 2,-0.4 -0.985 17.5-177.9-120.0 117.5 -4.4 4.6 25.1 6 9 A V E -ab 44 233A 0 37,-2.9 39,-2.9 -2,-0.5 2,-0.3 -0.946 0.8-177.6-120.4 139.4 -1.2 6.0 26.8 7 10 A T E -ab 45 234A 0 226,-1.9 228,-2.5 -2,-0.4 2,-0.3 -0.876 19.5-147.0-131.3 165.0 2.3 6.0 25.4 8 11 A C E - b 0 235A 0 37,-1.0 228,-0.2 -2,-0.3 39,-0.2 -0.879 49.2 -84.1-120.5 154.0 5.8 7.0 26.4 9 12 A A - 0 0 14 226,-1.0 38,-0.2 -2,-0.3 -1,-0.1 -0.240 50.7-104.1 -57.3 152.6 8.2 8.3 23.8 10 13 A L - 0 0 15 36,-0.1 38,-0.2 38,-0.1 -1,-0.1 -0.731 36.8-128.0 -84.7 112.5 10.0 5.5 21.9 11 14 A P - 0 0 8 0, 0.0 38,-3.4 0, 0.0 2,-0.1 -0.280 26.5-106.5 -59.3 139.1 13.6 5.3 23.3 12 15 A Y B > -e 49 0B 79 36,-0.2 3,-0.7 1,-0.1 38,-0.2 -0.456 22.0-130.7 -67.8 140.6 16.3 5.3 20.6 13 16 A A T 3 S+ 0 0 0 36,-2.2 60,-0.2 1,-0.2 -1,-0.1 -0.000 92.3 80.8 -81.9 30.5 17.9 1.9 20.2 14 17 A N T 3 S+ 0 0 53 -2,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.114 91.5 31.3-122.9 20.7 21.4 3.3 20.4 15 18 A G S < S- 0 0 27 -3,-0.7 -1,-0.1 -4,-0.0 2,-0.1 -0.982 80.7 -91.4-169.7 160.1 21.9 3.7 24.2 16 19 A S - 0 0 37 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 -0.379 49.0 -99.3 -76.5 156.2 21.1 2.3 27.6 17 20 A I - 0 0 0 -2,-0.1 269,-2.7 3,-0.1 270,-0.5 -0.579 46.6-172.0 -74.9 135.7 18.1 3.5 29.6 18 21 A H B > -F 285 0C 39 267,-0.3 4,-1.8 -2,-0.3 3,-0.4 -0.667 42.0 -87.9-121.2 178.8 19.2 6.1 32.2 19 22 A L H > S+ 0 0 0 265,-2.4 4,-1.1 1,-0.2 266,-0.1 0.731 123.8 61.6 -61.9 -20.8 17.4 7.9 35.1 20 23 A G H >> S+ 0 0 17 264,-0.2 4,-1.0 2,-0.2 3,-0.6 0.938 105.6 45.3 -68.7 -47.0 16.3 10.6 32.8 21 24 A H H 3> S+ 0 0 54 -3,-0.4 4,-1.8 1,-0.2 3,-0.2 0.873 107.9 60.6 -61.1 -38.1 14.3 8.1 30.7 22 25 A M H 3X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.768 93.1 62.2 -64.6 -28.4 13.0 6.7 34.0 23 26 A L H S+ 0 0 1 -4,-2.5 5,-1.7 1,-0.2 3,-0.2 0.880 109.8 49.6 -59.1 -39.7 -6.5 5.0 35.8 36 39 A R H ><5S+ 0 0 75 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.882 105.8 57.4 -66.6 -37.7 -6.7 1.2 36.0 37 40 A M H 3<5S+ 0 0 40 -4,-2.0 418,-0.5 1,-0.3 419,-0.2 0.812 102.5 55.4 -62.0 -29.3 -7.6 1.4 39.7 38 41 A R T 3<5S- 0 0 100 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.341 123.2-106.2 -85.9 6.9 -10.5 3.6 38.7 39 42 A G T < 5 + 0 0 56 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.491 69.3 142.2 86.9 4.8 -11.8 0.9 36.4 40 43 A H < - 0 0 36 -5,-1.7 2,-0.8 -39,-0.1 -1,-0.2 -0.362 59.4-108.0 -79.0 159.1 -11.0 2.3 33.0 41 44 A E E -a 3 0A 86 -39,-2.8 -37,-3.1 -2,-0.1 2,-0.4 -0.790 47.4-173.0 -85.2 113.9 -9.9 0.3 30.0 42 45 A V E -a 4 0A 12 -2,-0.8 2,-0.5 -39,-0.2 -37,-0.2 -0.926 22.1-170.5-119.8 136.4 -6.2 1.3 29.7 43 46 A N E -a 5 0A 2 -39,-2.5 -37,-2.9 -2,-0.4 2,-0.7 -0.944 8.5-168.7-124.0 106.9 -3.7 0.4 27.0 44 47 A F E +a 6 0A 0 -2,-0.5 45,-3.4 43,-0.3 46,-1.3 -0.875 18.6 178.7-100.1 112.0 -0.1 1.5 27.9 45 48 A I E +ac 7 90A 0 -39,-2.9 -37,-1.0 -2,-0.7 2,-0.3 -0.883 14.2 146.1-123.9 147.6 2.2 1.2 24.9 46 49 A C E + c 0 91A 0 44,-1.9 46,-2.5 -2,-0.3 2,-0.3 -0.900 11.1 179.0-157.3-176.2 5.8 1.8 23.9 47 50 A A E - c 0 92A 0 44,-0.3 46,-0.3 -2,-0.3 2,-0.3 -0.912 38.0 -83.1 176.5 161.6 8.6 0.5 21.7 48 51 A D E - c 0 93A 1 44,-1.6 46,-2.2 -2,-0.3 2,-1.1 -0.610 33.8-129.6 -82.3 142.9 12.2 1.1 20.7 49 52 A D B +e 12 0B 5 -38,-3.4 -36,-2.2 -2,-0.3 -35,-0.1 -0.816 37.8 171.9 -91.0 99.9 12.9 3.7 18.0 50 53 A A + 0 0 0 -2,-1.1 2,-0.1 -38,-0.2 -1,-0.1 0.370 36.0 84.3 -99.8 6.1 15.1 1.5 15.8 51 54 A H + 0 0 0 144,-0.1 4,-0.2 4,-0.1 131,-0.2 -0.470 45.8 85.6-105.7 176.1 15.8 3.5 12.6 52 55 A G S > S- 0 0 1 129,-2.4 4,-1.9 -2,-0.1 3,-0.5 0.018 75.1 -89.6 112.6 143.6 18.2 6.1 11.4 53 56 A T H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.882 118.7 61.1 -49.7 -47.7 21.7 6.5 9.9 54 57 A P H > S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.919 107.6 43.9 -47.6 -51.6 23.3 6.8 13.4 55 58 A I H > S+ 0 0 0 -3,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.907 110.5 55.9 -60.5 -44.6 22.1 3.3 14.3 56 59 A M H X S+ 0 0 26 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.875 112.8 41.4 -56.2 -41.8 23.1 1.9 10.9 57 60 A L H X S+ 0 0 78 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.845 110.4 55.9 -76.9 -35.7 26.7 3.2 11.4 58 61 A K H X S+ 0 0 64 -4,-2.3 4,-1.7 -5,-0.3 6,-0.2 0.892 107.3 51.2 -63.5 -38.8 27.0 2.2 15.0 59 62 A A H <>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 4,-0.3 0.932 106.5 53.8 -62.4 -46.8 26.1 -1.4 14.0 60 63 A Q H ><5S+ 0 0 114 -4,-1.4 3,-0.8 3,-0.2 -1,-0.2 0.868 107.3 53.4 -54.8 -41.1 28.8 -1.4 11.3 61 64 A Q H 3<5S+ 0 0 145 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.994 107.5 45.9 -56.9 -70.5 31.4 -0.4 13.9 62 65 A L T 3<5S- 0 0 99 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.448 115.0-117.5 -55.8 1.2 30.7 -3.2 16.5 63 66 A G T < 5S+ 0 0 66 -3,-0.8 2,-0.4 -4,-0.3 -3,-0.2 0.643 78.4 121.6 68.8 13.4 30.7 -5.5 13.5 64 67 A I < - 0 0 27 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.885 68.7-112.2-111.7 140.7 27.1 -6.4 14.2 65 68 A T >> - 0 0 73 -2,-0.4 4,-2.3 1,-0.1 3,-0.9 -0.335 28.8-116.7 -65.4 148.9 24.2 -5.9 11.8 66 69 A P H 3> S+ 0 0 18 0, 0.0 4,-3.1 0, 0.0 5,-0.4 0.890 118.2 60.1 -54.7 -37.2 21.7 -3.2 12.9 67 70 A E H 3> S+ 0 0 97 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.872 108.5 44.7 -57.3 -37.2 19.1 -6.0 13.2 68 71 A Q H <> S+ 0 0 81 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.903 114.2 47.3 -74.4 -43.4 21.4 -7.6 15.8 69 72 A M H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.932 113.0 46.8 -65.3 -47.2 22.1 -4.5 17.7 70 73 A I H X S+ 0 0 15 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.804 110.3 55.7 -66.7 -26.6 18.5 -3.3 17.9 71 74 A G H X S+ 0 0 39 -4,-0.9 4,-1.4 -5,-0.4 -1,-0.2 0.909 111.7 41.8 -70.5 -41.5 17.5 -6.8 19.0 72 75 A E H X S+ 0 0 111 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.881 115.2 50.5 -71.7 -39.5 19.9 -6.8 21.9 73 76 A M H X S+ 0 0 17 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.880 106.7 55.5 -65.6 -39.5 19.1 -3.2 22.8 74 77 A S H X S+ 0 0 22 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.911 109.9 45.6 -60.1 -43.3 15.4 -4.0 22.8 75 78 A Q H X S+ 0 0 121 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.894 113.2 49.5 -67.1 -41.5 15.9 -6.8 25.3 76 79 A E H X S+ 0 0 69 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.933 112.2 48.4 -63.3 -46.4 18.2 -4.7 27.5 77 80 A H H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.923 112.7 47.2 -60.5 -46.8 15.6 -1.8 27.5 78 81 A Q H X S+ 0 0 60 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.854 107.8 55.9 -66.8 -32.7 12.7 -4.0 28.4 79 82 A T H X S+ 0 0 88 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.914 110.7 45.7 -65.0 -39.5 14.6 -5.8 31.1 80 83 A D H X S+ 0 0 10 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.924 112.8 48.3 -69.3 -45.2 15.2 -2.4 32.8 81 84 A F H ><>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-0.9 0.918 111.0 51.2 -62.7 -40.2 11.7 -1.2 32.4 82 85 A A H ><5S+ 0 0 64 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.860 104.7 59.4 -63.5 -32.9 10.4 -4.5 33.8 83 86 A G H 3<5S+ 0 0 31 -4,-1.5 -1,-0.3 1,-0.3 212,-0.2 0.750 107.4 44.1 -67.1 -24.3 12.8 -3.9 36.7 84 87 A F T <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.302 116.9-117.1-100.5 7.0 11.1 -0.6 37.6 85 88 A N T < 5 + 0 0 33 -3,-1.2 2,-0.9 1,-0.2 -3,-0.2 0.904 45.9 175.0 59.0 45.8 7.7 -2.3 37.1 86 89 A I < - 0 0 10 -5,-2.1 2,-1.7 1,-0.1 -1,-0.2 -0.777 26.5-142.4 -83.4 111.6 6.6 -0.1 34.2 87 90 A S + 0 0 23 -2,-0.9 -43,-0.3 -3,-0.1 -1,-0.1 -0.255 30.7 170.2 -76.6 50.0 3.3 -1.9 33.4 88 91 A Y - 0 0 42 -2,-1.7 -43,-0.2 1,-0.2 3,-0.2 -0.277 31.7-152.6 -62.0 146.5 3.2 -1.7 29.5 89 92 A D S S+ 0 0 51 -45,-3.4 2,-0.3 1,-0.4 -44,-0.2 0.653 86.8 7.2 -88.6 -20.1 0.5 -3.8 27.8 90 93 A N E -c 45 0A 11 -46,-1.3 -44,-1.9 2,-0.0 2,-0.5 -0.928 55.2-170.5-163.8 135.8 2.9 -3.9 24.9 91 94 A Y E +c 46 0A 20 -2,-0.3 -44,-0.3 -46,-0.2 2,-0.0 -0.966 31.4 154.6-128.5 110.7 6.5 -2.9 24.1 92 95 A H E -c 47 0A 33 -46,-2.5 -44,-1.6 -2,-0.5 2,-0.3 0.048 35.1-101.8-112.7-141.2 7.1 -3.3 20.3 93 96 A S E -c 48 0A 22 -46,-0.3 6,-0.3 109,-0.1 -44,-0.2 -0.992 11.8-133.2-154.4 147.8 9.5 -1.8 17.8 94 97 A T S S+ 0 0 0 -46,-2.2 2,-1.2 -2,-0.3 -45,-0.1 0.671 104.2 72.0 -74.1 -16.4 9.4 0.9 15.0 95 98 A H S S+ 0 0 57 -47,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.717 80.4 108.3 -99.3 80.4 11.2 -1.8 12.9 96 99 A S S > S- 0 0 16 -2,-1.2 4,-2.0 1,-0.1 5,-0.1 -0.950 80.4-112.2-148.9 165.3 8.3 -4.1 12.5 97 100 A E H > S+ 0 0 106 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.870 116.8 57.1 -70.8 -34.6 5.9 -5.2 9.8 98 101 A E H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 111.2 41.9 -61.0 -44.5 3.0 -3.4 11.6 99 102 A N H > S+ 0 0 0 -6,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.843 112.2 54.9 -72.9 -33.5 4.9 -0.1 11.5 100 103 A R H X S+ 0 0 63 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.958 111.9 43.8 -62.4 -49.2 6.0 -0.7 7.9 101 104 A Q H X S+ 0 0 101 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.892 115.9 46.9 -62.7 -42.4 2.4 -1.2 6.7 102 105 A L H X S+ 0 0 8 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.841 110.1 53.0 -70.5 -33.2 1.1 1.7 8.7 103 106 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.919 113.3 44.0 -67.3 -41.3 3.8 4.1 7.5 104 107 A E H X S+ 0 0 71 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.893 112.5 53.1 -68.7 -39.7 3.0 3.1 3.9 105 108 A L H X S+ 0 0 55 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.921 113.5 41.9 -61.2 -46.4 -0.7 3.4 4.6 106 109 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.912 115.0 50.2 -68.4 -44.6 -0.4 6.9 6.0 107 110 A Y H X S+ 0 0 10 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.914 111.4 49.1 -60.0 -43.4 2.1 8.1 3.4 108 111 A S H X S+ 0 0 55 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.846 112.1 48.0 -66.2 -35.0 -0.2 6.8 0.6 109 112 A R H X S+ 0 0 79 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.874 113.9 48.0 -73.0 -36.2 -3.2 8.6 2.1 110 113 A L H <>S+ 0 0 2 -4,-2.5 5,-2.6 2,-0.2 6,-0.4 0.969 113.5 45.8 -66.3 -53.8 -1.2 11.8 2.5 111 114 A K H ><5S+ 0 0 101 -4,-3.1 3,-1.4 1,-0.2 5,-0.3 0.919 115.3 47.0 -54.9 -47.8 0.2 11.6 -1.1 112 115 A E H 3<5S+ 0 0 164 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.844 110.1 53.5 -64.3 -34.5 -3.2 10.9 -2.5 113 116 A N T 3<5S- 0 0 83 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.427 120.9-111.3 -80.6 1.0 -4.8 13.6 -0.4 114 117 A G T < 5S+ 0 0 33 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.735 85.1 118.0 78.1 25.6 -2.2 16.0 -1.9 115 118 A F < + 0 0 46 -5,-2.6 21,-3.1 -6,-0.1 2,-0.5 0.361 55.1 82.8-103.7 4.5 -0.1 16.7 1.2 116 119 A I E -G 135 0D 12 -6,-0.4 2,-0.3 -5,-0.3 19,-0.2 -0.930 57.6-175.3-112.1 132.6 3.2 15.2 -0.2 117 120 A K E -G 134 0D 78 17,-2.8 17,-3.5 -2,-0.5 2,-0.3 -0.879 14.3-136.5-125.4 156.7 5.5 17.3 -2.4 118 121 A N E +G 133 0D 70 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.751 29.8 147.5-111.2 159.1 8.7 16.6 -4.3 119 122 A R E -G 132 0D 111 13,-1.6 13,-3.4 -2,-0.3 2,-0.3 -0.974 33.9-116.2-172.9 174.0 11.9 18.6 -4.7 120 123 A T E +G 131 0D 82 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.894 27.5 176.3-126.4 156.1 15.7 18.4 -5.1 121 124 A I E -G 130 0D 53 9,-1.5 9,-0.6 -2,-0.3 2,-0.4 -0.930 26.1-116.9-150.7 173.7 18.6 19.6 -3.0 122 125 A S E +G 129 0D 91 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.928 36.7 161.3-117.9 141.7 22.4 19.7 -2.6 123 126 A Q - 0 0 127 5,-1.6 -2,-0.0 -2,-0.4 0, 0.0 -0.995 45.0 -82.7-159.5 153.8 24.3 18.0 0.2 124 127 A L - 0 0 168 -2,-0.3 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217 274 A S S S+ 0 0 118 -2,-0.7 4,-0.2 -3,-0.1 -1,-0.1 0.365 73.3 45.4 -98.3 5.7 -10.0 -7.0 15.1 218 275 A V S > S+ 0 0 82 2,-0.1 4,-1.9 -7,-0.1 3,-0.2 0.732 91.0 72.2-116.9 -33.9 -12.0 -4.0 16.2 219 276 A S H > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.855 89.2 61.6 -55.9 -41.4 -10.0 -2.1 18.8 220 277 A F H > S+ 0 0 28 -4,-0.3 4,-2.3 1,-0.2 3,-0.4 0.959 111.0 39.4 -51.5 -56.0 -7.5 -0.6 16.5 221 278 A D H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.863 111.3 58.5 -62.1 -37.2 -10.1 1.3 14.5 222 279 A E H < S+ 0 0 66 -4,-1.9 8,-0.6 1,-0.2 7,-0.4 0.860 114.6 37.9 -61.6 -33.9 -12.1 2.2 17.6 223 280 A Y H < S+ 0 0 2 -4,-2.2 -2,-0.2 -3,-0.4 -1,-0.2 0.794 127.6 30.7 -87.7 -30.9 -9.0 4.0 19.0 224 281 A W H < S+ 0 0 1 -4,-2.3 34,-2.3 -5,-0.3 -3,-0.2 0.592 85.6 109.7-108.4 -10.7 -7.6 5.5 15.8 225 282 A K B >< S-K 257 0F 80 -4,-2.6 3,-1.9 -5,-0.2 32,-0.2 -0.307 80.6-110.0 -62.5 151.5 -10.5 6.3 13.6 226 283 A K T 3 S+ 0 0 101 30,-0.8 33,-0.2 1,-0.3 -1,-0.1 0.796 116.8 47.4 -53.1 -35.2 -11.3 10.0 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42.7-108.2-147.0 166.1 7.0 13.1 26.3 237 294 A G E > - d 0 266A 2 -2,-0.3 3,-1.6 28,-0.2 30,-0.2 -0.557 39.3-107.2 -92.2 161.2 10.0 15.3 27.1 238 295 A K G > S+ 0 0 68 28,-1.1 3,-0.6 1,-0.3 4,-0.2 0.607 110.5 72.0 -66.4 -9.5 10.2 19.0 26.0 239 296 A D G 3 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.541 104.5 38.0 -83.1 -5.3 12.9 18.2 23.4 240 297 A I G <> S+ 0 0 20 -3,-1.6 4,-1.4 2,-0.1 -1,-0.2 0.096 78.9 110.3-130.1 22.3 10.4 16.4 21.1 241 298 A V H <> S+ 0 0 9 -3,-0.6 4,-2.6 1,-0.2 5,-0.3 0.848 73.0 61.3 -66.8 -34.3 7.3 18.6 21.5 242 299 A Y H >>S+ 0 0 58 -4,-0.2 4,-1.9 1,-0.2 5,-0.9 0.938 105.4 46.1 -58.6 -48.3 7.6 19.9 17.9 243 300 A F H 4>S+ 0 0 45 1,-0.2 5,-2.9 3,-0.2 -1,-0.2 0.863 119.1 41.7 -62.0 -38.7 7.2 16.5 16.4 244 301 A H H <5S+ 0 0 4 -4,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.735 120.1 39.6 -83.8 -25.2 4.3 15.6 18.6 245 302 A S H <5S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.654 131.8 14.7 -99.6 -17.4 2.4 18.9 18.6 246 303 A L T X5S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 5,-0.2 0.675 128.2 33.7-119.0 -74.7 2.8 19.8 14.9 247 304 A F H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.918 116.0 50.6 -60.0 -40.6 -1.3 15.8 14.5 250 307 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.921 107.7 51.6 -61.8 -46.8 -1.0 17.0 10.9 251 308 A M H X S+ 0 0 0 -4,-3.0 4,-0.6 -5,-0.2 -1,-0.2 0.897 113.6 45.4 -58.0 -42.5 0.0 13.6 9.6 252 309 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.8 -5,-0.2 3,-0.9 0.918 111.4 51.7 -67.4 -46.2 -2.9 12.0 11.4 253 310 A E H ><5S+ 0 0 59 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.962 111.1 47.8 -55.4 -53.4 -5.4 14.6 10.2 254 311 A G H 3<5S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.575 111.4 50.5 -66.4 -11.3 -4.3 14.2 6.6 255 312 A S T <<5S- 0 0 0 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.162 118.1-105.1-112.6 16.7 -4.6 10.4 6.7 256 313 A N T < 5S+ 0 0 98 -3,-1.6 -30,-0.8 1,-0.2 2,-0.3 0.836 79.6 126.4 64.9 37.3 -8.1 10.3 8.2 257 314 A F B < -K 225 0F 13 -5,-2.8 -1,-0.2 -32,-0.2 -32,-0.2 -0.857 63.8 -98.0-120.2 157.4 -6.9 9.3 11.7 258 315 A R - 0 0 23 -34,-2.3 -32,-0.1 -2,-0.3 -31,-0.1 -0.297 34.7-126.6 -71.5 158.1 -7.7 10.9 15.1 259 316 A K - 0 0 46 -33,-0.2 -27,-0.2 1,-0.1 -1,-0.1 -0.571 41.0 -74.9 -99.3 165.9 -5.3 13.3 16.7 260 317 A P - 0 0 1 0, 0.0 -27,-0.2 0, 0.0 -1,-0.1 -0.328 30.0-141.5 -61.8 143.0 -3.9 13.0 20.3 261 318 A S S S- 0 0 39 -29,-2.2 2,-0.3 1,-0.3 -28,-0.2 0.859 80.8 -18.4 -70.6 -35.1 -6.4 14.0 23.0 262 319 A N E -d 233 0A 27 -30,-1.6 -28,-1.5 2,-0.0 2,-0.5 -0.989 54.2-131.3-167.0 160.2 -3.5 15.5 24.8 263 320 A L E -d 234 0A 1 -2,-0.3 2,-0.7 -30,-0.2 -109,-0.4 -0.980 16.5-158.1-118.8 128.0 0.3 15.8 25.2 264 321 A F E -d 235 0A 10 -30,-2.9 -28,-2.3 -2,-0.5 2,-0.4 -0.911 16.3-169.4-110.4 103.0 1.8 15.5 28.7 265 322 A V E -d 236 0A 2 -2,-0.7 2,-0.3 -30,-0.2 -28,-0.2 -0.780 3.8-172.0 -98.6 136.0 5.2 17.1 28.6 266 323 A H E -d 237 0A 10 -30,-2.0 -28,-1.1 -2,-0.4 44,-0.2 -0.771 19.6-115.6-119.8 166.7 7.7 16.8 31.5 267 324 A G - 0 0 2 44,-0.9 2,-0.2 42,-0.3 45,-0.2 -0.141 40.5 -76.7 -90.9-170.6 11.0 18.5 32.2 268 325 A Y - 0 0 95 42,-0.2 45,-2.3 -31,-0.1 2,-0.4 -0.563 37.2-119.8 -91.5 152.9 14.5 17.1 32.4 269 326 A V E -l 313 0G 14 -2,-0.2 7,-0.4 43,-0.2 2,-0.3 -0.758 29.3-173.3 -90.3 134.5 16.0 15.2 35.4 270 327 A T E -l 314 0G 22 43,-2.2 45,-3.0 -2,-0.4 2,-0.5 -0.843 15.9-138.9-119.1 158.0 19.1 16.8 37.0 271 328 A V E > S-lM 315 274G 2 3,-3.0 3,-1.9 -2,-0.3 45,-0.2 -0.991 83.1 -8.7-122.7 128.2 21.2 15.1 39.7 272 329 A N T 3 S- 0 0 76 43,-1.9 -1,-0.2 -2,-0.5 44,-0.1 0.843 132.1 -56.1 55.4 34.2 22.4 17.2 42.6 273 330 A G T 3 S+ 0 0 55 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.355 120.7 84.3 84.6 -5.3 21.2 20.2 40.7 274 331 A A B < S-M 271 0G 57 -3,-1.9 -3,-3.0 1,-0.1 -1,-0.2 -0.840 88.4 -82.9-128.3 165.2 23.1 19.8 37.5 275 332 A K S S- 0 0 179 -2,-0.3 -5,-0.1 -5,-0.2 -1,-0.1 -0.260 70.5 -79.0 -57.1 150.5 22.8 17.9 34.2 276 333 A M - 0 0 34 -7,-0.4 2,-0.4 1,-0.1 7,-0.2 -0.276 51.4-157.5 -56.3 141.0 24.0 14.3 34.6 277 334 A S >> - 0 0 17 1,-0.1 5,-2.6 -3,-0.1 6,-0.8 -0.972 17.8-160.7-129.8 119.8 27.8 14.0 34.6 278 335 A K T >45S+ 0 0 115 -2,-0.4 3,-1.0 1,-0.2 215,-0.2 0.917 95.7 52.7 -62.6 -43.9 29.8 10.9 33.7 279 336 A S T 345S+ 0 0 96 1,-0.3 -1,-0.2 2,-0.1 211,-0.1 0.817 113.6 44.6 -62.6 -29.8 33.0 12.1 35.4 280 337 A R T 345S- 0 0 169 -3,-0.2 -1,-0.3 209,-0.1 -2,-0.2 0.519 112.7-118.8 -91.6 -6.4 31.0 12.8 38.6 281 338 A G T <<5S+ 0 0 0 -3,-1.0 208,-0.2 -4,-0.7 -3,-0.2 0.775 83.0 116.1 75.3 25.5 29.2 9.5 38.4 282 339 A T < + 0 0 10 -5,-2.6 2,-1.2 207,-0.1 -4,-0.2 0.312 44.6 93.4-106.7 4.8 25.8 11.2 38.2 283 340 A F - 0 0 51 -6,-0.8 2,-0.5 -7,-0.2 -1,-0.1 -0.842 69.6-171.9 -94.4 94.9 25.0 9.8 34.7 284 341 A I - 0 0 0 -2,-1.2 -265,-2.4 4,-0.0 -264,-0.2 -0.833 18.1-143.6-104.6 123.7 23.1 6.8 36.2 285 342 A K B > -F 18 0C 44 -2,-0.5 4,-2.4 -267,-0.3 -267,-0.3 -0.463 21.0-124.9 -77.4 151.1 21.9 3.9 34.2 286 343 A A H > S+ 0 0 0 -269,-2.7 4,-1.8 1,-0.2 -268,-0.1 0.912 113.4 51.9 -61.5 -43.0 18.6 2.2 35.1 287 344 A S H > S+ 0 0 43 -270,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.915 110.3 48.8 -60.2 -42.6 20.4 -1.1 35.4 288 345 A T H >> S+ 0 0 1 1,-0.2 3,-1.2 2,-0.2 4,-0.8 0.918 105.8 56.6 -65.0 -43.8 23.0 0.4 37.7 289 346 A W H >X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.3 3,-1.5 0.928 104.2 54.0 -52.3 -46.8 20.4 2.0 39.9 290 347 A L H 3< S+ 0 0 53 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.676 97.1 64.2 -65.6 -17.9 18.8 -1.4 40.6 291 348 A N H << S+ 0 0 128 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.750 119.2 25.7 -74.4 -22.7 22.0 -2.9 41.7 292 349 A H H << S+ 0 0 52 -3,-1.5 2,-0.3 -4,-0.8 -2,-0.2 0.781 128.0 20.7-109.2 -40.3 22.0 -0.5 44.6 293 350 A F S < S- 0 0 12 -4,-3.0 -1,-0.2 -5,-0.2 2,-0.1 -0.812 76.2-107.3-127.9 168.5 18.4 0.5 45.3 294 351 A D > - 0 0 57 -2,-0.3 4,-0.7 1,-0.1 -210,-0.1 -0.345 32.6-111.6 -87.4 177.1 14.9 -0.9 44.6 295 352 A A H > S+ 0 0 6 -212,-0.2 4,-2.5 1,-0.2 3,-0.4 0.880 109.8 64.5 -77.2 -38.6 12.5 0.6 42.1 296 353 A D H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.835 95.7 58.9 -52.9 -39.2 10.0 1.9 44.6 297 354 A S H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 111.4 38.4 -60.2 -47.4 12.5 4.3 46.2 298 355 A L H X S+ 0 0 0 -4,-0.7 4,-2.7 -3,-0.4 5,-0.3 0.896 114.6 55.5 -71.0 -38.3 13.1 6.2 42.9 299 356 A R H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.946 111.4 44.8 -58.5 -46.3 9.4 6.0 41.9 300 357 A Y H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.944 113.1 49.6 -62.0 -50.0 8.5 7.6 45.2 301 358 A Y H X S+ 0 0 4 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.913 113.3 44.9 -58.1 -47.2 11.1 10.3 45.0 302 359 A Y H >X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.8 0.920 113.3 51.7 -62.9 -43.6 10.2 11.4 41.5 303 360 A T H 3< S+ 0 0 0 -4,-2.1 81,-0.3 -5,-0.3 -2,-0.2 0.872 103.1 57.6 -62.5 -38.3 6.5 11.3 42.3 304 361 A A H 3< S+ 0 0 6 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.745 116.2 37.2 -64.6 -22.6 6.9 13.5 45.3 305 362 A K H << S+ 0 0 75 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.595 94.6 103.0-105.4 -13.9 8.4 16.1 43.1 306 363 A L < + 0 0 5 -4,-1.5 75,-2.7 -3,-0.2 76,-0.2 -0.332 40.3 164.5 -73.8 152.8 6.4 15.8 39.9 307 364 A S - 0 0 34 2,-0.3 72,-0.2 73,-0.2 -2,-0.0 -0.840 53.7 -86.5-149.2-175.3 3.6 18.2 38.9 308 365 A S S S+ 0 0 29 -2,-0.2 -43,-0.2 -42,-0.1 2,-0.1 0.452 98.2 90.2 -81.0 -0.6 1.5 19.2 35.8 309 366 A R S S- 0 0 105 69,-0.1 -42,-0.3 -45,-0.1 -2,-0.3 -0.430 84.3-118.8 -94.1 169.0 4.2 21.6 34.7 310 367 A I + 0 0 27 -44,-0.2 -42,-0.2 -2,-0.1 -72,-0.1 0.214 64.8 137.4 -92.2 17.3 7.3 21.1 32.4 311 368 A D - 0 0 81 -44,-0.2 -44,-0.9 1,-0.1 -4,-0.1 -0.213 61.2 -98.3 -63.9 151.1 9.8 22.1 35.1 312 369 A D - 0 0 79 -45,-0.2 2,-0.5 -46,-0.1 -43,-0.2 -0.366 32.0-135.5 -69.2 148.7 13.0 20.1 35.6 313 370 A I E -l 269 0G 10 -45,-2.3 -43,-2.2 -2,-0.1 2,-0.5 -0.935 14.7-148.5-110.5 122.0 13.0 17.4 38.3 314 371 A D E -l 270 0G 38 -2,-0.5 2,-1.1 -45,-0.2 -43,-0.2 -0.786 7.3-158.5 -97.6 125.5 16.1 17.3 40.6 315 372 A L E -l 271 0G 0 -45,-3.0 -43,-1.9 -2,-0.5 2,-0.9 -0.787 14.8-170.7 -96.9 89.8 17.3 14.0 42.1 316 373 A N > - 0 0 51 -2,-1.1 4,-2.5 -45,-0.2 -45,-0.1 -0.762 12.1-152.9 -84.0 110.5 19.3 15.4 45.0 317 374 A L H > S+ 0 0 6 -2,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.871 92.4 48.9 -53.7 -42.7 21.1 12.3 46.3 318 375 A E H > S+ 0 0 99 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.962 113.7 46.7 -61.7 -50.1 21.4 13.5 49.9 319 376 A D H > S+ 0 0 46 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.836 103.8 66.0 -59.9 -34.8 17.7 14.4 50.0 320 377 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.934 103.0 43.1 -53.7 -54.3 16.8 11.1 48.4 321 378 A V H X S+ 0 0 10 -4,-1.5 4,-2.1 -3,-0.3 156,-0.3 0.927 116.6 48.3 -60.9 -44.7 17.9 9.0 51.4 322 379 A Q H X S+ 0 0 118 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.910 112.9 47.1 -61.9 -45.8 16.3 11.4 53.9 323 380 A R H X>S+ 0 0 75 -4,-3.1 4,-2.7 2,-0.2 5,-0.5 0.912 112.4 48.5 -63.4 -47.1 13.0 11.5 52.0 324 381 A V H X>S+ 0 0 0 -4,-2.4 5,-1.6 -5,-0.3 4,-1.0 0.939 116.3 42.0 -61.1 -48.9 12.7 7.8 51.6 325 382 A N H <>S+ 0 0 9 -4,-2.1 5,-3.1 -5,-0.2 6,-0.2 0.902 118.3 46.7 -66.3 -40.8 13.4 7.0 55.2 326 383 A A H <5S+ 0 0 36 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.917 124.9 26.4 -68.9 -45.3 11.3 9.8 56.6 327 384 A D H X>S+ 0 0 6 -4,-2.7 5,-2.4 -5,-0.2 4,-0.9 0.962 130.4 30.3 -84.9 -60.7 8.2 9.2 54.4 328 385 A I T >> S+ 0 0 0 -3,-0.9 4,-1.4 -4,-0.3 -2,-0.2 0.721 102.0 71.2-111.8 -31.0 0.7 -2.1 65.4 340 397 A A H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.792 91.6 62.2 -59.4 -32.8 1.0 -5.5 63.8 341 398 A G H X S+ 0 0 35 -4,-0.8 4,-3.1 2,-0.2 5,-0.4 0.966 104.3 43.8 -59.4 -57.7 3.0 -7.0 66.7 342 399 A F H >>S+ 0 0 58 -4,-0.2 4,-1.8 1,-0.2 5,-0.6 0.862 117.1 49.8 -56.3 -36.9 0.3 -6.6 69.4 343 400 A I H X5S+ 0 0 0 -4,-1.4 6,-2.3 3,-0.2 4,-1.1 0.936 116.0 39.0 -69.7 -47.4 -2.3 -7.9 66.9 344 401 A N H X5S+ 0 0 32 -4,-3.0 4,-0.5 4,-0.3 -2,-0.2 0.904 125.7 36.4 -70.0 -42.7 -0.3 -11.0 65.8 345 402 A K H <5S+ 0 0 184 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.922 129.1 28.6 -77.3 -48.8 1.0 -11.8 69.3 346 403 A R H <5S+ 0 0 87 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.1 0.726 132.8 29.3 -88.2 -24.4 -1.9 -10.9 71.6 347 404 A F H >< + 0 0 46 61,-0.2 4,-1.9 1,-0.1 -1,-0.3 -0.752 67.2 174.7-123.3 83.7 -12.1 6.2 65.9 358 415 A P H > S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.798 80.1 57.4 -55.8 -35.1 -14.7 6.3 63.1 359 416 A Q H > S+ 0 0 162 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.935 106.4 47.6 -63.7 -48.0 -14.2 10.1 62.6 360 417 A L H > S+ 0 0 22 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.920 110.9 51.4 -60.0 -45.2 -10.5 9.8 61.9 361 418 A Y H X S+ 0 0 10 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.899 108.9 51.4 -60.4 -40.0 -11.2 7.0 59.4 362 419 A K H X S+ 0 0 116 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.863 103.4 57.8 -66.2 -34.9 -13.7 9.1 57.6 363 420 A T H X S+ 0 0 66 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.909 110.1 47.0 -59.0 -39.0 -11.2 12.0 57.4 364 421 A F H < S+ 0 0 0 -4,-1.6 3,-0.5 2,-0.2 4,-0.3 0.926 115.3 41.0 -69.8 -48.0 -9.0 9.5 55.6 365 422 A T H >< S+ 0 0 13 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.788 107.8 63.6 -73.2 -24.8 -11.6 8.1 53.1 366 423 A D H >< S+ 0 0 94 -4,-2.6 3,-0.7 1,-0.2 4,-0.4 0.808 95.5 61.5 -65.8 -28.3 -13.0 11.7 52.6 367 424 A A T 3X S+ 0 0 11 -4,-0.8 4,-2.4 -3,-0.5 5,-0.3 0.622 77.2 90.1 -74.5 -12.8 -9.6 12.6 51.1 368 425 A A H <> S+ 0 0 11 -3,-1.1 4,-2.9 -4,-0.3 5,-0.3 0.848 83.4 55.1 -52.7 -39.1 -9.9 10.1 48.3 369 426 A E H <> S+ 0 0 170 -3,-0.7 4,-2.2 -4,-0.3 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50.1 -70.5 -46.7 0.8 8.5 69.8 400 457 A E H < S+ 0 0 143 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.940 116.9 42.1 -55.7 -47.6 -2.1 10.0 71.6 401 458 A Q H < S- 0 0 76 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.783 94.1-161.4 -69.9 -28.7 -3.6 6.5 72.2 402 459 A A >X - 0 0 16 -4,-1.5 4,-1.3 -5,-0.3 3,-0.5 0.929 10.5-171.9 42.5 86.5 -0.1 5.2 73.1 403 460 A P H 3> S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.800 76.8 68.6 -75.9 -30.2 -0.5 1.4 72.6 404 461 A W H 34 S+ 0 0 122 1,-0.2 4,-0.5 2,-0.2 -2,-0.1 0.723 109.7 37.7 -62.0 -20.4 2.9 0.5 74.1 405 462 A V H <4 S+ 0 0 46 -3,-0.5 -1,-0.2 2,-0.2 4,-0.2 0.789 112.4 54.5 -98.2 -37.6 1.5 1.6 77.5 406 463 A V H >< S+ 0 0 8 -4,-1.3 3,-0.8 1,-0.2 6,-0.2 0.788 104.4 60.6 -65.5 -26.8 -2.0 0.4 77.1 407 464 A A T 3< S+ 0 0 14 -4,-2.2 -1,-0.2 1,-0.2 5,-0.2 0.906 100.6 49.8 -67.7 -45.3 -0.5 -3.1 76.4 408 465 A K T 3 S+ 0 0 157 -4,-0.5 2,-0.9 -5,-0.2 -1,-0.2 0.361 90.9 92.4 -78.2 6.7 1.3 -3.4 79.8 409 466 A Q S X S- 0 0 87 -3,-0.8 3,-1.2 -4,-0.2 -1,-0.1 -0.828 81.9-130.5-105.2 95.8 -1.9 -2.5 81.7 410 467 A E T 3 S+ 0 0 106 -2,-0.9 -2,-0.1 1,-0.2 -3,-0.0 -0.082 90.7 32.0 -44.6 134.2 -3.6 -5.8 82.5 411 468 A G T 3 S+ 0 0 73 -4,-0.1 -1,-0.2 0, 0.0 3,-0.2 0.469 91.8 97.3 94.1 3.5 -7.3 -5.7 81.5 412 469 A R <> + 0 0 77 -3,-1.2 4,-2.6 -6,-0.2 5,-0.2 0.180 41.9 115.2-108.4 16.0 -6.9 -3.4 78.5 413 470 A D H > S+ 0 0 69 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.925 77.0 48.6 -50.8 -55.0 -6.7 -6.1 75.8 414 471 A A H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 113.2 49.5 -54.0 -42.1 -9.9 -5.0 74.1 415 472 A D H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 111.1 49.2 -64.3 -42.0 -8.6 -1.4 74.1 416 473 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.963 110.9 48.2 -62.4 -53.7 -5.3 -2.4 72.7 417 474 A Q H X S+ 0 0 44 -4,-2.8 4,-2.1 1,-0.2 -65,-0.5 0.902 112.3 50.7 -53.6 -44.0 -6.8 -4.5 69.8 418 475 A A H X S+ 0 0 26 -4,-2.1 4,-1.4 -5,-0.3 -62,-0.5 0.892 113.6 44.6 -62.0 -41.7 -9.1 -1.6 69.0 419 476 A I H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.966 116.4 43.4 -67.9 -54.5 -6.2 0.9 68.9 420 477 A C H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.789 113.1 51.9 -63.6 -31.2 -3.8 -1.2 66.9 421 478 A S H X S+ 0 0 3 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.861 106.0 56.2 -72.5 -35.7 -6.4 -2.4 64.4 422 479 A M H X S+ 0 0 2 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.934 107.6 48.3 -59.5 -46.6 -7.3 1.3 63.9 423 480 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.857 109.6 52.3 -62.8 -36.0 -3.7 2.0 63.0 424 481 A I H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.888 108.6 50.2 -68.8 -38.4 -3.7 -1.0 60.6 425 482 A N H X S+ 0 0 3 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.838 108.3 52.1 -68.8 -33.6 -6.8 0.3 58.8 426 483 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.886 109.5 51.1 -67.4 -37.5 -5.4 3.8 58.4 427 484 A F H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.904 104.8 57.1 -63.4 -41.6 -2.3 2.0 56.9 428 485 A R H X S+ 0 0 10 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.923 109.1 45.2 -55.8 -47.5 -4.7 0.2 54.5 429 486 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-0.4 0.934 111.9 51.1 -63.7 -47.5 -6.1 3.4 53.2 430 487 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.903 109.4 49.7 -57.7 -44.3 -2.7 5.1 52.8 431 488 A M H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.775 106.5 57.7 -67.6 -24.8 -1.2 2.2 50.8 432 489 A T H >< S+ 0 0 0 -4,-1.2 3,-0.5 -3,-0.4 -1,-0.2 0.912 107.9 45.4 -70.2 -42.0 -4.3 2.3 48.6 433 490 A Y H 3< S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.795 118.1 44.3 -70.5 -27.7 -3.6 5.9 47.7 434 491 A L H >X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 3,-1.2 0.462 84.0 99.6 -94.4 -3.8 0.1 5.1 47.1 435 492 A K T << S+ 0 0 44 -4,-0.6 -1,-0.2 -3,-0.5 7,-0.1 0.834 80.2 53.3 -52.8 -38.0 -0.6 1.9 45.2 436 493 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -403,-0.2 0.813 115.5 42.4 -67.7 -26.7 -0.0 3.6 41.8 437 494 A V T <4 S+ 0 0 0 -3,-1.2 -2,-0.2 1,-0.2 -134,-0.1 0.854 118.4 36.1 -86.9 -42.0 3.4 4.8 43.1 438 495 A L X + 0 0 1 -4,-2.3 4,-2.2 -7,-0.2 -1,-0.2 -0.706 60.4 170.6-120.9 80.2 4.9 1.8 45.0 439 496 A P H > S+ 0 0 9 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.874 79.0 41.3 -54.7 -48.2 4.0 -1.5 43.2 440 497 A K H > S+ 0 0 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2,-0.3 1,-0.2 -3,-0.2 0.894 74.6 100.8 57.0 38.7 -4.7 -10.6 53.3 451 508 A T S - 0 0 58 -2,-0.7 4,-0.6 1,-0.1 -416,-0.1 -0.845 39.2-120.5-116.1 155.6 -8.9 -1.3 45.5 455 512 A W T 4 S+ 0 0 13 -418,-0.5 3,-0.5 -2,-0.3 -1,-0.1 0.881 114.9 39.9 -63.1 -39.5 -9.8 2.3 45.4 456 513 A D T >4 S+ 0 0 114 -419,-0.2 3,-2.0 1,-0.2 -1,-0.2 0.740 98.9 79.0 -80.9 -24.3 -13.5 1.8 46.5 457 514 A G G >4 S+ 0 0 11 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.720 74.8 73.9 -56.6 -26.0 -12.5 -0.9 49.0 458 515 A I G 3< S+ 0 0 0 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 0.678 81.4 72.7 -64.3 -14.7 -11.4 1.7 51.5 459 516 A Q G < S+ 0 0 104 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.681 96.8 54.0 -72.1 -15.7 -15.1 2.4 52.2 460 517 A Q S < S- 0 0 133 -3,-2.0 -1,-0.2 -4,-0.2 3,-0.1 -0.870 85.6-152.3-120.2 94.1 -15.2 -1.0 53.9 461 518 A P - 0 0 27 0, 0.0 2,-0.7 0, 0.0 -3,-0.0 -0.205 31.3 -93.5 -63.1 158.4 -12.5 -1.2 56.7 462 519 A L + 0 0 14 -41,-0.1 2,-0.4 3,-0.0 3,-0.2 -0.651 53.8 174.2 -78.0 114.1 -11.1 -4.6 57.7 463 520 A L - 0 0 77 -2,-0.7 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