==== 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 1PFV . 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, . 548 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 25 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 1 1 2 2 1 3 0 1 2 0 1 0 1 1 1 1 1 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 . 6 3 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 . 0 3 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 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 0 120 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 127.1 -14.7 4.6 31.1 2 5 A K - 0 0 89 1,-0.0 39,-3.0 282,-0.0 2,-0.6 -0.359 360.0-139.5 -69.0 148.6 -12.2 6.8 29.2 3 6 A K E -a 41 0A 57 280,-0.3 282,-2.9 37,-0.2 2,-0.4 -0.967 28.5-178.7-109.5 122.2 -10.0 5.3 26.5 4 7 A I E -ab 42 285A 1 37,-3.1 39,-2.6 -2,-0.6 2,-0.5 -0.985 20.8-166.0-130.4 133.3 -6.5 6.7 26.8 5 8 A L E -ab 43 286A 2 280,-2.8 282,-2.8 -2,-0.4 2,-0.4 -0.978 17.8-175.6-116.0 119.3 -3.4 6.0 24.7 6 9 A V E -ab 44 287A 0 37,-2.9 39,-3.3 -2,-0.5 2,-0.3 -0.947 1.7-176.4-118.9 138.2 -0.2 7.3 26.4 7 10 A T E -ab 45 288A 0 280,-2.0 282,-2.4 -2,-0.4 2,-0.3 -0.867 16.4-150.2-129.9 162.8 3.3 7.3 25.0 8 11 A C E - b 0 289A 0 37,-1.0 39,-0.2 -2,-0.3 282,-0.2 -0.888 48.4 -80.4-122.8 156.1 6.9 8.2 26.0 9 12 A A - 0 0 8 280,-0.8 38,-0.1 -2,-0.3 40,-0.1 -0.278 51.8-107.4 -58.2 143.4 9.5 9.4 23.6 10 13 A L - 0 0 1 36,-0.1 38,-0.2 38,-0.1 -1,-0.1 -0.631 34.1-128.5 -78.4 115.8 11.1 6.5 21.6 11 14 A P - 0 0 3 0, 0.0 38,-3.1 0, 0.0 2,-0.1 -0.375 24.8-109.0 -65.1 138.7 14.7 6.0 22.8 12 15 A Y B > -e 49 0B 68 537,-0.7 3,-0.8 36,-0.2 38,-0.2 -0.440 19.9-133.5 -67.8 140.9 17.4 5.9 20.2 13 16 A A T 3 S+ 0 0 0 36,-2.2 60,-0.1 1,-0.2 -1,-0.1 0.375 94.3 71.4 -77.6 4.1 18.8 2.4 19.6 14 17 A N T 3 S+ 0 0 57 35,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.067 96.3 46.9-109.6 27.5 22.4 3.6 19.7 15 18 A G S < S- 0 0 29 -3,-0.8 2,-0.1 -4,-0.0 3,-0.1 -0.985 80.0-105.3-162.4 152.3 22.8 4.4 23.4 16 19 A S - 0 0 28 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 -0.395 45.5 -96.3 -78.4 156.8 22.0 3.0 26.8 17 20 A I - 0 0 0 -2,-0.1 323,-2.8 3,-0.1 324,-0.5 -0.555 48.2-175.1 -74.0 131.6 19.2 4.3 29.0 18 21 A H B >> -F 339 0C 46 321,-0.3 4,-2.1 -2,-0.3 3,-0.6 -0.658 44.3 -85.7-120.7 178.7 20.3 6.9 31.5 19 22 A L H 3> S+ 0 0 0 319,-2.3 4,-1.4 1,-0.2 320,-0.1 0.749 123.6 62.5 -56.7 -24.5 18.7 8.8 34.4 20 23 A G H 3> S+ 0 0 17 318,-0.2 4,-1.0 2,-0.2 3,-0.4 0.944 105.6 43.7 -65.7 -48.7 17.5 11.4 31.9 21 24 A H H <> S+ 0 0 43 -3,-0.6 4,-2.1 1,-0.2 3,-0.5 0.915 109.2 60.0 -60.6 -44.1 15.3 8.9 30.1 22 25 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.824 95.1 60.7 -58.1 -33.2 14.1 7.5 33.4 23 26 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.4 -1,-0.2 0.941 110.0 43.0 -58.3 -45.6 12.6 10.8 34.5 24 27 A E H X S+ 0 0 14 -4,-1.0 4,-2.3 -3,-0.5 -2,-0.2 0.925 115.8 45.4 -66.3 -47.8 10.3 10.7 31.5 25 28 A H H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.858 114.8 48.9 -67.5 -33.8 9.3 7.0 31.7 26 29 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.918 109.9 51.2 -71.6 -42.2 8.8 7.2 35.4 27 30 A Q H X S+ 0 0 2 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.942 114.3 43.8 -59.5 -46.4 6.6 10.4 35.1 28 31 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.916 112.0 53.2 -65.3 -42.7 4.5 8.7 32.5 29 32 A D H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.876 107.4 50.6 -61.9 -39.1 4.3 5.4 34.4 30 33 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.946 113.8 45.6 -62.7 -46.1 3.1 7.2 37.6 31 34 A W H X S+ 0 0 4 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.930 114.1 48.7 -62.1 -45.7 0.4 8.9 35.6 32 35 A V H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.911 109.7 50.8 -61.8 -45.3 -0.6 5.7 33.8 33 36 A R H X S+ 0 0 63 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.888 110.7 50.1 -62.4 -36.8 -0.8 3.7 36.9 34 37 A Y H X S+ 0 0 7 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.933 109.0 51.1 -66.5 -44.4 -3.1 6.3 38.5 35 38 A Q H <>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 3,-0.4 0.898 109.9 50.1 -60.1 -39.0 -5.3 6.3 35.4 36 39 A R H ><5S+ 0 0 77 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.892 105.8 56.9 -65.9 -37.6 -5.6 2.5 35.6 37 40 A M H 3<5S+ 0 0 38 -4,-1.9 472,-0.5 1,-0.3 -1,-0.2 0.778 102.4 55.7 -63.5 -27.0 -6.5 2.8 39.3 38 41 A R T 3<5S- 0 0 99 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.295 122.7-106.1 -89.7 10.4 -9.4 5.1 38.4 39 42 A G T < 5 + 0 0 53 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.578 68.2 144.5 82.1 13.0 -10.8 2.4 36.0 40 43 A H < - 0 0 45 -5,-1.7 2,-0.8 -39,-0.1 -1,-0.2 -0.400 58.2-108.5 -83.2 160.3 -10.0 3.8 32.6 41 44 A E E -a 3 0A 74 -39,-3.0 -37,-3.1 -2,-0.1 2,-0.4 -0.813 48.6-175.4 -86.1 112.8 -9.0 1.8 29.6 42 45 A V E -a 4 0A 13 -2,-0.8 2,-0.5 -39,-0.2 -37,-0.2 -0.941 23.0-170.7-120.4 136.1 -5.3 2.7 29.2 43 46 A N E -a 5 0A 4 -39,-2.6 -37,-2.9 -2,-0.4 2,-0.7 -0.955 9.0-165.6-124.2 108.2 -2.7 1.7 26.6 44 47 A F E -a 6 0A 0 -2,-0.5 45,-3.2 43,-0.2 46,-1.3 -0.867 19.1-175.9 -97.7 113.1 0.8 2.7 27.5 45 48 A I E +ac 7 90A 0 -39,-3.3 -37,-1.0 -2,-0.7 2,-0.3 -0.883 16.2 144.0-121.4 142.8 3.0 2.5 24.4 46 49 A C E + c 0 91A 0 44,-1.8 46,-2.2 -2,-0.3 2,-0.3 -0.906 11.6 177.0-156.4-177.9 6.7 2.9 23.5 47 50 A A E - c 0 92A 0 44,-0.3 2,-0.3 -2,-0.3 46,-0.3 -0.949 38.2 -82.9 179.6 166.5 9.3 1.5 21.2 48 51 A D E - c 0 93A 1 44,-1.7 46,-2.1 -2,-0.3 2,-1.0 -0.692 32.8-132.0 -88.2 141.1 13.0 1.9 20.2 49 52 A D B +e 12 0B 0 -38,-3.1 -36,-2.2 -2,-0.3 -35,-0.2 -0.844 38.1 170.3 -91.6 102.0 13.8 4.6 17.5 50 53 A A + 0 0 0 -2,-1.0 2,-0.2 -38,-0.2 -1,-0.1 0.363 34.0 84.9-105.2 6.2 15.9 2.4 15.3 51 54 A H + 0 0 3 198,-0.1 185,-0.2 4,-0.1 4,-0.2 -0.543 48.6 80.8-105.8 171.0 16.7 4.2 12.1 52 55 A G S > S- 0 0 2 183,-2.4 4,-2.0 -2,-0.2 5,-0.1 -0.312 77.5 -81.9 120.5 157.8 19.3 6.7 10.9 53 56 A T H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.889 120.6 58.9 -62.5 -42.1 22.8 7.2 9.7 54 57 A P H > S+ 0 0 50 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.924 109.8 44.3 -54.6 -44.2 24.3 7.1 13.2 55 58 A I H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 112.2 52.0 -67.1 -41.4 22.9 3.7 13.8 56 59 A M H X S+ 0 0 11 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.916 112.8 45.0 -61.8 -43.9 24.0 2.4 10.3 57 60 A L H X S+ 0 0 8 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.854 110.3 53.3 -70.3 -35.6 27.5 3.6 10.9 58 61 A K H X S+ 0 0 65 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.938 107.6 51.5 -65.4 -45.1 27.8 2.2 14.4 59 62 A A H X>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 4,-0.7 0.927 109.2 51.1 -55.9 -46.5 26.7 -1.3 13.2 60 63 A Q H <5S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.841 110.1 49.6 -60.4 -35.6 29.4 -1.1 10.5 61 64 A Q H <5S+ 0 0 159 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.913 110.5 48.6 -70.5 -43.6 32.0 -0.3 13.0 62 65 A L H <5S- 0 0 103 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.567 114.1-121.0 -72.6 -8.5 31.0 -3.1 15.4 63 66 A G T <5S+ 0 0 63 -4,-0.7 2,-0.3 1,-0.3 -3,-0.2 0.823 74.4 108.4 72.4 32.4 31.1 -5.4 12.4 64 67 A I S - 0 0 77 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.319 35.3-120.7 -65.7 149.4 24.2 -5.9 10.8 66 69 A P H > S+ 0 0 25 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.872 115.1 58.5 -59.1 -33.7 22.1 -2.9 11.9 67 70 A E H > S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.895 105.5 46.9 -62.3 -42.5 19.3 -5.4 12.7 68 71 A Q H > S+ 0 0 86 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.939 114.1 48.2 -65.8 -45.3 21.5 -7.4 15.1 69 72 A M H X S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.917 112.9 45.4 -62.0 -47.4 22.7 -4.2 16.9 70 73 A I H X S+ 0 0 15 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.824 110.6 56.3 -68.3 -28.1 19.2 -2.7 17.3 71 74 A G H X S+ 0 0 33 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.911 109.1 45.4 -68.1 -40.3 17.9 -6.0 18.4 72 75 A E H X S+ 0 0 107 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.894 114.5 48.0 -69.2 -39.8 20.5 -6.2 21.2 73 76 A M H X S+ 0 0 16 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.861 107.3 56.3 -69.3 -35.4 19.8 -2.6 22.2 74 77 A S H X S+ 0 0 21 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.931 109.5 46.5 -60.8 -44.6 16.1 -3.2 22.2 75 78 A Q H X S+ 0 0 127 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.904 112.0 50.8 -64.4 -41.3 16.6 -6.0 24.7 76 79 A E H X S+ 0 0 72 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.937 111.6 47.7 -62.5 -46.8 18.9 -3.9 26.8 77 80 A H H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.929 112.2 48.2 -60.3 -47.6 16.4 -1.0 27.0 78 81 A Q H X S+ 0 0 64 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.836 108.6 54.2 -65.5 -31.4 13.5 -3.2 27.9 79 82 A T H X S+ 0 0 98 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.924 111.4 46.1 -67.3 -41.8 15.4 -5.0 30.6 80 83 A D H X S+ 0 0 12 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.934 113.4 47.2 -65.6 -47.3 16.2 -1.6 32.1 81 84 A F H ><>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 3,-0.6 0.881 110.8 52.9 -63.1 -36.4 12.7 -0.3 31.9 82 85 A A H ><5S+ 0 0 63 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.870 103.3 58.7 -65.2 -34.9 11.4 -3.5 33.4 83 86 A G H 3<5S+ 0 0 30 -4,-1.7 266,-0.3 1,-0.3 -1,-0.2 0.741 108.6 44.4 -65.7 -24.2 13.8 -3.0 36.2 84 87 A F T <<5S- 0 0 0 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.297 115.4-118.9-101.0 7.7 12.1 0.3 37.0 85 88 A N T < 5 + 0 0 35 -3,-1.4 2,-0.8 1,-0.2 -3,-0.2 0.880 45.3 173.4 57.2 44.3 8.7 -1.3 36.6 86 89 A I < - 0 0 10 -5,-2.2 2,-1.6 1,-0.1 -1,-0.2 -0.766 27.0-143.2 -82.3 113.7 7.6 0.9 33.7 87 90 A S + 0 0 23 -2,-0.8 -43,-0.2 -3,-0.1 -1,-0.1 -0.310 28.4 173.2 -81.4 55.6 4.3 -0.8 32.8 88 91 A Y - 0 0 43 -2,-1.6 -43,-0.2 1,-0.2 3,-0.2 -0.262 30.1-153.1 -62.0 147.2 4.1 -0.6 29.0 89 92 A D S S+ 0 0 49 -45,-3.2 2,-0.3 1,-0.4 -44,-0.2 0.669 87.0 7.9 -89.7 -21.8 1.3 -2.5 27.4 90 93 A N E -c 45 0A 11 -46,-1.3 -44,-1.8 2,-0.0 2,-0.4 -0.947 56.3-171.1-160.3 137.4 3.6 -2.7 24.3 91 94 A Y E +c 46 0A 20 -2,-0.3 -44,-0.3 -46,-0.2 2,-0.1 -0.956 30.9 153.5-130.1 109.8 7.2 -1.9 23.5 92 95 A H E -c 47 0A 35 -46,-2.2 -44,-1.7 -2,-0.4 2,-0.3 0.009 35.4-102.4-113.8-143.7 7.9 -2.2 19.8 93 96 A S E -c 48 0A 22 -46,-0.3 6,-0.3 163,-0.1 -44,-0.2 -0.994 12.3-133.6-152.1 148.7 10.3 -0.7 17.2 94 97 A T S S+ 0 0 0 -46,-2.1 2,-1.3 -2,-0.3 -45,-0.1 0.698 103.9 72.7 -74.1 -18.3 10.3 1.9 14.5 95 98 A H S S+ 0 0 50 -47,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.710 80.6 106.6 -96.3 81.9 12.0 -0.8 12.4 96 99 A S S > S- 0 0 17 -2,-1.3 4,-2.1 1,-0.1 5,-0.1 -0.964 81.5-110.1-151.8 164.0 8.9 -3.0 11.9 97 100 A E H > S+ 0 0 104 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.868 117.1 57.0 -67.9 -35.3 6.4 -4.0 9.3 98 101 A E H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 111.0 42.4 -60.6 -46.7 3.7 -2.0 11.1 99 102 A N H > S+ 0 0 0 -6,-0.3 4,-2.5 2,-0.2 5,-0.2 0.856 111.8 55.1 -69.8 -34.2 5.7 1.2 10.9 100 103 A R H X S+ 0 0 63 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.960 111.4 43.4 -63.5 -48.5 6.8 0.6 7.4 101 104 A Q H X S+ 0 0 105 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.891 116.3 47.4 -64.6 -38.9 3.2 0.2 6.1 102 105 A L H X S+ 0 0 9 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.871 111.7 50.1 -70.9 -35.8 2.0 3.2 8.2 103 106 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.917 113.2 46.2 -67.8 -41.8 4.9 5.4 7.0 104 107 A E H X S+ 0 0 74 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.889 113.4 50.7 -66.5 -37.6 4.2 4.5 3.4 105 108 A L H X S+ 0 0 61 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.951 112.6 43.8 -64.4 -51.5 0.5 5.1 3.9 106 109 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.921 113.9 51.1 -62.0 -43.6 0.9 8.6 5.5 107 110 A Y H X S+ 0 0 11 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.930 110.4 49.7 -58.9 -45.7 3.5 9.6 2.9 108 111 A S H X S+ 0 0 56 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.893 112.4 47.1 -61.0 -41.7 1.2 8.5 0.1 109 112 A R H X S+ 0 0 75 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.905 112.1 49.6 -68.0 -41.0 -1.7 10.5 1.6 110 113 A L H <>S+ 0 0 2 -4,-2.8 5,-3.1 2,-0.2 6,-0.4 0.899 113.9 46.0 -63.6 -40.1 0.4 13.6 2.2 111 114 A K H ><5S+ 0 0 106 -4,-2.5 3,-1.5 -5,-0.2 5,-0.3 0.914 111.8 50.5 -68.6 -43.0 1.7 13.4 -1.4 112 115 A E H 3<5S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.5 52.7 -63.5 -31.8 -1.8 12.8 -2.8 113 116 A N T 3<5S- 0 0 86 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.344 120.6-108.8 -87.1 5.7 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2,-0.3 -0.913 45.4-171.9-114.6 140.1 15.7 7.5 -1.4 246 249 A Y E -MN 230 238G 39 -16,-2.8 -16,-2.3 -2,-0.4 2,-0.3 -0.882 31.7 -98.9-127.8 159.3 14.7 6.8 2.2 247 250 A F E -M 229 0G 0 -10,-2.6 -10,-0.4 -2,-0.3 -18,-0.3 -0.621 45.6-111.7 -76.9 131.9 12.4 8.4 4.8 248 251 A Y >> - 0 0 52 -20,-2.8 3,-2.4 -2,-0.3 4,-1.3 -0.391 30.7-113.5 -61.2 140.5 14.4 10.6 7.2 249 252 A V H 3> S+ 0 0 7 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.827 114.0 58.0 -47.1 -41.4 14.3 9.0 10.6 250 253 A W H 34 S+ 0 0 15 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.645 101.5 56.8 -69.4 -12.6 12.2 11.8 12.2 251 254 A L H <> S+ 0 0 2 -3,-2.4 4,-0.5 2,-0.1 -1,-0.2 0.915 116.7 33.0 -80.9 -45.5 9.5 11.3 9.6 252 255 A D H X S+ 0 0 0 -4,-1.3 4,-0.8 1,-0.2 -2,-0.2 0.719 103.6 78.4 -83.6 -19.6 9.0 7.6 10.6 253 256 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 -5,-0.2 4,-0.3 0.942 97.4 39.2 -56.5 -57.1 9.8 7.9 14.3 254 257 A P H >> S+ 0 0 7 0, 0.0 3,-1.9 0, 0.0 4,-0.7 0.814 107.7 64.0 -66.2 -25.8 6.5 9.4 15.6 255 258 A I H 3X S+ 0 0 0 -4,-0.5 4,-2.7 1,-0.3 3,-0.5 0.778 88.3 73.9 -65.5 -19.9 4.7 7.1 13.2 256 259 A G H S+ 0 0 0 -3,-1.9 4,-1.4 -4,-0.3 -1,-0.3 0.917 109.5 40.7 -63.8 -43.7 3.8 5.5 18.1 258 261 A M H X S+ 0 0 0 -4,-0.7 4,-2.8 -3,-0.5 -2,-0.2 0.907 113.2 53.9 -69.6 -43.9 1.1 4.3 15.7 259 262 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.884 107.4 50.9 -59.6 -39.5 3.1 1.2 14.6 260 263 A S H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.887 112.2 46.6 -67.2 -37.7 3.5 0.1 18.2 261 264 A F H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.898 111.3 51.1 -71.6 -38.6 -0.2 0.4 18.9 262 265 A K H X S+ 0 0 51 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.932 109.6 51.7 -62.0 -43.2 -1.1 -1.4 15.6 263 266 A N H X S+ 0 0 16 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.914 109.9 49.1 -58.9 -43.4 1.3 -4.2 16.7 264 267 A L H X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.935 112.9 46.6 -62.4 -46.7 -0.4 -4.4 20.1 265 268 A C H X>S+ 0 0 1 -4,-2.7 5,-2.6 1,-0.2 4,-0.8 0.932 112.6 50.1 -61.6 -46.6 -3.8 -4.6 18.5 266 269 A D H ><5S+ 0 0 79 -4,-3.1 3,-0.8 1,-0.2 -1,-0.2 0.903 110.2 49.4 -60.6 -42.1 -2.7 -7.2 16.0 267 270 A K H 3<5S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.851 111.8 49.6 -65.9 -32.8 -1.2 -9.4 18.7 268 271 A R H 3<5S- 0 0 124 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.577 111.7-121.6 -80.0 -10.9 -4.4 -9.1 20.7 269 272 A G T <<5 + 0 0 66 -4,-0.8 2,-0.8 -3,-0.8 -3,-0.2 0.732 61.8 151.7 74.2 21.2 -6.4 -10.1 17.6 270 273 A D < + 0 0 40 -5,-2.6 4,-0.3 -6,-0.2 -1,-0.3 -0.787 21.2 176.4 -89.9 109.8 -8.2 -6.7 18.2 271 274 A S S S+ 0 0 110 -2,-0.8 4,-0.1 -3,-0.1 -1,-0.1 0.381 72.9 43.6 -97.0 4.1 -9.5 -5.5 14.8 272 275 A V S > S+ 0 0 77 2,-0.1 4,-1.8 -7,-0.1 3,-0.2 0.704 90.9 74.6-118.9 -28.1 -11.3 -2.4 15.9 273 276 A S H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.807 87.5 61.4 -60.8 -34.5 -9.2 -0.6 18.4 274 277 A F H >> S+ 0 0 28 -4,-0.3 4,-2.4 1,-0.2 3,-0.5 0.970 111.3 39.2 -59.0 -51.5 -6.6 0.9 16.1 275 278 A D H 3> S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 110.8 59.8 -65.4 -35.0 -9.2 2.9 14.2 276 279 A E H 3< S+ 0 0 61 -4,-1.8 8,-0.6 1,-0.2 7,-0.4 0.825 115.8 35.0 -63.0 -28.4 -11.1 3.7 17.4 277 280 A Y H << S+ 0 0 2 -4,-1.8 -2,-0.2 -3,-0.5 -1,-0.2 0.770 128.3 31.7 -95.3 -29.2 -8.0 5.5 18.6 278 281 A W H < S+ 0 0 0 -4,-2.4 34,-2.4 -5,-0.2 -3,-0.2 0.619 88.0 101.8-108.3 -13.1 -6.5 7.0 15.4 279 282 A K B >< S-O 311 0H 75 -4,-2.3 3,-1.7 -5,-0.2 32,-0.2 -0.329 82.5-111.1 -67.8 155.8 -9.4 7.8 13.1 280 283 A K T 3 S+ 0 0 104 30,-0.5 33,-0.2 1,-0.3 -1,-0.1 0.789 116.3 54.5 -59.2 -30.6 -10.4 11.5 13.0 281 284 A D T 3 S+ 0 0 113 31,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.213 80.6 143.2 -90.0 16.3 -13.7 10.9 14.8 282 285 A S < - 0 0 21 -3,-1.7 -5,-0.1 1,-0.1 -6,-0.1 -0.247 39.6-165.8 -60.3 140.4 -12.0 9.2 17.7 283 286 A T + 0 0 134 -7,-0.4 -280,-0.3 2,-0.1 -1,-0.1 0.312 62.0 102.7-104.6 3.9 -13.4 9.7 21.2 284 287 A A S S- 0 0 3 -8,-0.6 2,-0.4 -282,-0.1 -280,-0.2 -0.475 73.7-120.0 -83.7 158.9 -10.3 8.3 22.8 285 288 A E E -b 4 0A 28 -282,-2.9 -280,-2.8 -2,-0.1 2,-0.5 -0.824 20.1-159.3-103.3 140.9 -7.6 10.5 24.3 286 289 A L E +b 5 0A 2 -2,-0.4 29,-2.4 -282,-0.2 30,-1.5 -0.979 12.6 178.8-123.8 121.1 -4.0 10.6 23.0 287 290 A Y E -bd 6 316A 29 -282,-2.8 -280,-2.0 -2,-0.5 2,-0.5 -0.971 13.0-161.5-127.4 138.2 -1.1 11.9 25.1 288 291 A H E -bd 7 317A 0 28,-1.5 30,-3.0 -2,-0.4 2,-0.6 -0.971 6.9-155.5-119.2 121.9 2.6 12.2 24.5 289 292 A F E +bd 8 318A 0 -282,-2.4 -280,-0.8 -2,-0.5 2,-0.3 -0.867 34.2 156.9 -93.4 123.9 5.1 12.6 27.3 290 293 A I E - d 0 319A 0 28,-2.3 30,-2.0 -2,-0.6 2,-0.2 -0.939 40.4-108.9-145.6 166.3 8.2 14.2 25.9 291 294 A G E > - d 0 320A 13 -2,-0.3 3,-1.5 28,-0.2 30,-0.2 -0.546 38.6-106.5 -93.0 162.5 11.3 16.3 26.8 292 295 A K G > S+ 0 0 65 28,-1.2 3,-0.9 1,-0.3 4,-0.3 0.721 111.8 67.2 -63.1 -22.2 11.7 19.9 25.8 293 296 A D G 3 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.624 105.4 41.4 -75.6 -11.0 14.3 19.2 23.1 294 297 A I G <> S+ 0 0 13 -3,-1.5 4,-1.7 1,-0.1 -1,-0.2 0.124 79.4 105.7-121.7 22.5 11.8 17.4 20.9 295 298 A V H <> S+ 0 0 7 -3,-0.9 4,-2.5 1,-0.2 5,-0.3 0.833 74.5 61.1 -69.8 -33.4 8.8 19.7 21.3 296 299 A Y H >>S+ 0 0 60 -4,-0.3 4,-1.8 1,-0.2 5,-1.0 0.947 107.2 44.5 -58.9 -49.1 9.2 21.2 17.8 297 300 A F H 4>S+ 0 0 47 1,-0.2 5,-2.9 3,-0.2 -1,-0.2 0.915 119.4 41.6 -61.8 -45.3 8.7 17.8 16.2 298 301 A H H <5S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.739 120.2 40.1 -76.8 -25.3 5.7 16.9 18.4 299 302 A S H <5S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.648 132.0 15.7 -98.7 -18.2 3.9 20.2 18.4 300 303 A L T X5S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.3 -3,-0.2 0.720 128.0 34.7-118.6 -67.0 4.4 21.2 14.8 301 304 A F H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.886 115.9 51.1 -59.8 -35.0 0.1 17.3 14.3 304 307 A A H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.917 108.7 50.4 -66.8 -43.5 0.5 18.6 10.7 305 308 A M H X S+ 0 0 1 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.914 113.5 45.4 -59.4 -45.6 1.5 15.1 9.4 306 309 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 3,-0.8 0.931 112.9 49.9 -64.3 -47.5 -1.6 13.5 11.1 307 310 A E H ><5S+ 0 0 59 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.929 111.6 49.3 -56.2 -47.6 -3.9 16.3 9.9 308 311 A G H 3<5S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.629 113.0 46.7 -69.8 -15.2 -2.6 15.9 6.3 309 312 A S T <<5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.130 117.7-106.0-113.2 17.8 -3.0 12.1 6.3 310 313 A N T < 5S+ 0 0 101 -3,-1.3 -30,-0.5 1,-0.2 2,-0.3 0.824 76.6 126.9 64.7 36.9 -6.6 12.1 7.8 311 314 A F B < -O 279 0H 11 -5,-2.7 -1,-0.2 -32,-0.2 -32,-0.2 -0.829 63.9 -96.3-118.5 161.0 -5.7 10.9 11.3 312 315 A R - 0 0 26 -34,-2.4 -32,-0.1 -2,-0.3 -31,-0.1 -0.312 38.9-127.8 -71.7 159.1 -6.6 12.4 14.7 313 316 A K - 0 0 59 -33,-0.2 -27,-0.2 1,-0.1 -1,-0.1 -0.621 36.7 -72.1-105.2 166.3 -4.1 14.7 16.5 314 317 A P - 0 0 6 0, 0.0 -27,-0.2 0, 0.0 -1,-0.1 -0.254 29.2-145.3 -57.2 140.7 -2.7 14.5 20.0 315 318 A S S S- 0 0 39 -29,-2.4 2,-0.3 1,-0.3 -28,-0.2 0.855 80.2 -19.6 -72.8 -36.0 -5.1 15.5 22.8 316 319 A N E -d 287 0A 28 -30,-1.5 -28,-1.5 2,-0.0 2,-0.4 -0.987 55.1-129.2-166.3 160.0 -2.2 17.0 24.6 317 320 A L E -d 288 0A 0 -2,-0.3 2,-0.7 -30,-0.2 -109,-0.4 -0.968 17.8-156.0-115.6 132.0 1.6 17.1 24.9 318 321 A F E -d 289 0A 8 -30,-3.0 -28,-2.3 -2,-0.4 2,-0.4 -0.915 17.8-168.1-112.5 103.4 3.1 16.7 28.4 319 322 A V E -d 290 0A 2 -2,-0.7 2,-0.3 -30,-0.2 -28,-0.2 -0.760 7.5-173.3-100.0 137.0 6.5 18.2 28.5 320 323 A H E -d 291 0A 14 -30,-2.0 -28,-1.2 -2,-0.4 44,-0.2 -0.821 21.0-117.3-120.5 162.5 9.1 17.9 31.2 321 324 A G - 0 0 3 44,-1.0 44,-0.2 42,-0.3 45,-0.1 -0.099 41.9 -71.3 -87.9-170.7 12.5 19.6 31.7 322 325 A Y - 0 0 100 42,-0.2 45,-2.9 -31,-0.1 2,-0.4 -0.350 42.6-119.4 -79.0 162.8 16.1 18.2 31.8 323 326 A V E -p 367 0I 14 43,-0.2 7,-0.5 -2,-0.1 2,-0.3 -0.881 29.4-172.7-104.1 133.7 17.5 16.1 34.7 324 327 A T E -p 368 0I 18 43,-2.4 45,-3.0 -2,-0.4 2,-0.5 -0.860 15.0-142.6-120.2 158.1 20.5 17.5 36.5 325 328 A V E > S-pQ 369 328I 3 3,-2.9 3,-1.7 -2,-0.3 45,-0.2 -0.994 85.1 -8.0-124.2 124.7 22.5 15.8 39.2 326 329 A N T 3 S- 0 0 77 43,-2.1 44,-0.2 -2,-0.5 -1,-0.1 0.842 132.3 -56.6 57.6 34.0 23.8 17.8 42.1 327 330 A G T 3 S+ 0 0 53 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.301 120.2 85.7 85.4 -9.0 22.5 20.9 40.3 328 331 A A B < S-Q 325 0I 57 -3,-1.7 -3,-2.9 1,-0.1 -1,-0.2 -0.828 88.5 -82.0-125.5 163.3 24.5 20.5 37.0 329 332 A K S S- 0 0 179 -2,-0.3 -5,-0.2 -5,-0.2 7,-0.1 -0.260 70.9 -79.9 -55.2 146.0 24.1 18.6 33.7 330 333 A M - 0 0 31 -7,-0.5 2,-0.5 1,-0.1 7,-0.2 -0.249 52.2-155.6 -53.0 137.1 25.2 15.0 34.1 331 334 A S >> - 0 0 19 1,-0.1 5,-2.7 -3,-0.1 6,-0.9 -0.973 18.5-160.3-125.2 120.1 29.0 14.8 34.0 332 335 A K T >45S+ 0 0 116 -2,-0.5 3,-0.9 1,-0.2 215,-0.2 0.913 96.2 52.3 -61.6 -43.8 31.0 11.7 33.0 333 336 A S T 345S+ 0 0 95 1,-0.3 -1,-0.2 2,-0.1 211,-0.1 0.818 112.6 44.7 -63.7 -32.0 34.1 12.9 34.7 334 337 A R T 345S- 0 0 172 -3,-0.1 -1,-0.3 209,-0.0 -2,-0.2 0.497 114.1-116.9 -90.1 -4.8 32.3 13.5 38.0 335 338 A G T <<5S+ 0 0 0 -3,-0.9 208,-0.2 -4,-0.6 -3,-0.2 0.768 83.8 117.0 76.0 25.5 30.5 10.2 37.8 336 339 A T < + 0 0 9 -5,-2.7 2,-1.3 207,-0.1 -4,-0.2 0.382 42.8 95.0-104.5 1.5 27.1 11.9 37.6 337 340 A F - 0 0 57 -6,-0.9 2,-0.5 -7,-0.2 -1,-0.1 -0.792 67.8-173.3 -90.7 94.4 26.3 10.5 34.1 338 341 A I - 0 0 0 -2,-1.3 -319,-2.3 4,-0.0 -318,-0.2 -0.823 19.3-143.3-104.5 126.7 24.4 7.5 35.5 339 342 A K B > -F 18 0C 70 -2,-0.5 4,-2.4 -321,-0.2 -321,-0.3 -0.524 21.4-124.4 -80.9 149.0 23.0 4.6 33.5 340 343 A A H > S+ 0 0 0 -323,-2.8 4,-1.7 1,-0.2 -322,-0.1 0.903 113.0 51.6 -58.7 -42.2 19.7 3.1 34.5 341 344 A S H > S+ 0 0 44 -324,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.901 109.3 49.8 -62.9 -40.8 21.3 -0.3 34.7 342 345 A T H >> S+ 0 0 2 1,-0.2 3,-1.6 2,-0.2 4,-0.7 0.926 104.9 58.0 -64.8 -43.2 24.0 1.0 37.0 343 346 A W H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.3 3,-1.6 0.911 101.9 55.0 -52.3 -46.1 21.5 2.7 39.3 344 347 A L H 3< S+ 0 0 55 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.662 97.1 64.4 -65.3 -16.4 19.8 -0.6 40.0 345 348 A N H << S+ 0 0 129 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.728 118.3 26.0 -76.0 -21.7 23.1 -2.2 41.1 346 349 A H H << S+ 0 0 48 -3,-1.6 2,-0.3 -4,-0.7 -2,-0.2 0.752 128.4 18.0-110.7 -37.8 23.1 0.3 44.0 347 350 A F S < S- 0 0 13 -4,-2.9 -1,-0.2 -5,-0.2 2,-0.1 -0.852 75.9-104.4-133.3 169.1 19.5 1.3 44.7 348 351 A D > - 0 0 57 -2,-0.3 4,-0.8 1,-0.1 3,-0.2 -0.439 32.6-112.2 -89.2 170.2 16.0 -0.0 44.1 349 352 A A H > S+ 0 0 8 -266,-0.3 4,-2.5 1,-0.2 3,-0.3 0.891 110.3 63.4 -68.5 -40.8 13.6 1.5 41.5 350 353 A D H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.847 96.3 58.8 -53.7 -38.8 11.2 2.8 44.1 351 354 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 111.5 38.6 -59.5 -48.2 13.7 5.2 45.6 352 355 A L H X S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.3 5,-0.3 0.889 114.3 55.3 -70.4 -39.0 14.3 7.0 42.3 353 356 A R H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.938 111.6 45.1 -58.2 -45.1 10.6 6.9 41.4 354 357 A Y H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.947 112.9 49.0 -64.1 -49.8 9.7 8.5 44.7 355 358 A Y H X S+ 0 0 0 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.928 113.9 45.2 -56.9 -49.8 12.4 11.2 44.5 356 359 A Y H >X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.8 0.922 113.3 51.2 -60.6 -45.0 11.5 12.2 41.0 357 360 A T H 3< S+ 0 0 0 -4,-2.2 81,-0.2 -5,-0.3 3,-0.2 0.885 105.2 55.6 -61.3 -38.8 7.8 12.2 41.8 358 361 A A H 3< S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.746 115.5 39.6 -66.4 -22.2 8.4 14.4 44.8 359 362 A K H << S+ 0 0 61 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.612 94.1 103.4-101.9 -14.9 10.1 17.0 42.6 360 363 A L < + 0 0 5 -4,-1.5 75,-2.9 -3,-0.2 76,-0.3 -0.333 41.3 169.7 -73.6 150.0 7.9 16.8 39.5 361 364 A S - 0 0 32 2,-0.3 72,-0.2 73,-0.2 -2,-0.0 -0.787 50.6 -93.5-142.3-175.1 5.2 19.4 38.6 362 365 A S S S+ 0 0 28 -2,-0.2 -43,-0.2 -42,-0.0 2,-0.1 0.402 98.6 86.4 -87.0 2.2 3.0 20.3 35.6 363 366 A R S S- 0 0 107 69,-0.1 -2,-0.3 -155,-0.1 -42,-0.3 -0.451 85.9-116.9 -97.4 172.8 5.7 22.8 34.4 364 367 A I + 0 0 19 -44,-0.2 -42,-0.2 -2,-0.1 -72,-0.1 0.201 64.0 135.8 -96.4 18.0 8.7 22.2 32.1 365 368 A D - 0 0 78 -44,-0.2 -44,-1.0 1,-0.1 -4,-0.2 -0.233 63.0 -94.5 -64.5 151.4 11.3 23.2 34.7 366 369 A D - 0 0 75 -45,-0.1 2,-0.5 -46,-0.1 -43,-0.2 -0.295 33.9-134.5 -65.3 150.8 14.5 21.0 35.2 367 370 A I E -p 323 0I 10 -45,-2.9 -43,-2.4 -3,-0.1 2,-0.5 -0.945 16.1-149.3-111.6 124.3 14.4 18.3 37.8 368 371 A D E -p 324 0I 36 -2,-0.5 2,-1.0 -45,-0.2 -43,-0.2 -0.816 8.1-158.6-100.9 128.3 17.5 18.1 40.1 369 372 A L E -p 325 0I 0 -45,-3.0 -43,-2.1 -2,-0.5 2,-0.8 -0.846 13.9-172.9-100.7 93.6 18.7 14.8 41.6 370 373 A N > - 0 0 53 -2,-1.0 4,-2.2 -45,-0.2 5,-0.1 -0.832 13.4-153.1 -88.7 114.4 20.7 16.1 44.6 371 374 A L H > S+ 0 0 4 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.847 92.3 50.8 -59.4 -38.2 22.3 12.9 45.9 372 375 A E H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 113.8 45.3 -63.8 -47.1 22.7 14.1 49.4 373 376 A D H > S+ 0 0 48 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.820 106.2 62.4 -64.7 -32.5 19.0 15.1 49.5 374 377 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.951 106.0 43.8 -58.6 -51.7 18.1 11.8 47.9 375 378 A V H X S+ 0 0 6 -4,-1.8 4,-2.1 1,-0.2 156,-0.3 0.947 117.1 46.6 -60.0 -48.6 19.4 9.8 50.9 376 379 A Q H X S+ 0 0 113 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.905 114.4 46.1 -61.2 -44.0 17.8 12.2 53.3 377 380 A R H X>S+ 0 0 68 -4,-3.2 4,-2.8 2,-0.2 5,-0.5 0.901 112.1 48.7 -69.4 -42.8 14.4 12.3 51.6 378 381 A V H X>S+ 0 0 0 -4,-2.4 5,-1.6 -5,-0.3 4,-1.5 0.943 116.3 43.5 -63.4 -46.4 14.0 8.6 51.0 379 382 A N H <>S+ 0 0 4 -4,-2.1 5,-2.4 -5,-0.3 -2,-0.2 0.910 118.3 44.8 -65.5 -41.1 14.9 7.8 54.6 380 383 A A H <5S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.913 125.5 27.5 -70.4 -44.0 12.8 10.6 56.1 381 384 A D H X>S+ 0 0 23 -4,-2.8 5,-1.9 -5,-0.2 4,-0.6 0.925 129.8 30.4 -86.6 -52.0 9.7 10.1 54.0 382 385 A I I >> S+ 0 0 0 -3,-0.7 4,-1.4 -4,-0.3 3,-0.3 0.722 101.7 71.5-111.8 -29.7 2.4 -1.4 64.8 394 397 A A H X S+ 0 0 3 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.852 90.8 62.5 -59.1 -38.5 2.5 -4.7 63.0 395 398 A G H X S+ 0 0 39 -4,-0.6 4,-2.7 -5,-0.2 5,-0.3 0.919 104.5 45.3 -55.0 -49.5 4.6 -6.4 65.7 396 399 A F H >>S+ 0 0 59 -3,-0.3 4,-2.6 -4,-0.2 5,-0.7 0.896 113.2 50.9 -62.8 -41.1 2.0 -6.0 68.4 397 400 A I H X5S+ 0 0 0 -4,-1.4 6,-2.6 3,-0.2 4,-1.1 0.930 114.8 42.6 -63.7 -44.2 -0.8 -7.2 66.2 398 401 A N H <5S+ 0 0 35 -4,-2.7 4,-0.4 4,-0.2 -2,-0.2 0.903 124.2 34.2 -70.4 -41.4 1.1 -10.3 65.2 399 402 A K H <5S+ 0 0 189 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.866 129.3 29.6 -83.8 -37.9 2.4 -11.2 68.6 400 403 A R H <5S+ 0 0 90 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.698 131.0 30.2 -95.9 -22.6 -0.3 -10.1 70.9 401 404 A F S >< + 0 0 48 1,-0.1 4,-2.0 62,-0.1 3,-0.3 -0.670 65.8 172.6-136.7 79.2 -10.5 7.2 65.7 412 415 A P H > S+ 0 0 81 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.830 80.4 57.4 -55.2 -37.8 -13.1 7.4 62.9 413 416 A Q H > S+ 0 0 164 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.931 107.6 46.6 -61.2 -46.5 -12.8 11.2 62.6 414 417 A L H > S+ 0 0 26 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.902 110.8 52.8 -62.8 -40.7 -9.1 10.9 61.8 415 418 A Y H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.905 107.3 52.3 -62.0 -40.1 -9.7 8.2 59.3 416 419 A K H X S+ 0 0 117 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.862 102.6 58.3 -64.5 -34.9 -12.3 10.4 57.6 417 420 A T H X S+ 0 0 67 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.918 109.3 46.9 -59.3 -40.4 -9.7 13.2 57.3 418 421 A F H >< S+ 0 0 0 -4,-1.6 3,-0.6 1,-0.2 -2,-0.2 0.916 114.9 42.4 -67.9 -45.9 -7.5 10.7 55.4 419 422 A T H >< S+ 0 0 29 -4,-2.3 3,-1.5 1,-0.2 4,-0.3 0.829 106.8 62.9 -72.4 -29.3 -10.2 9.4 53.0 420 423 A D H >< S+ 0 0 95 -4,-2.8 3,-0.6 1,-0.3 4,-0.4 0.739 94.9 63.6 -64.7 -23.1 -11.5 13.0 52.5 421 424 A A T S+ 0 0 14 -3,-1.5 4,-3.0 1,-0.2 5,-0.3 0.883 82.8 54.4 -55.9 -42.4 -8.6 11.4 48.1 423 426 A E H <> S+ 0 0 175 -3,-0.6 4,-2.1 -4,-0.3 -1,-0.2 0.950 112.8 40.4 -58.9 -52.6 -10.3 14.0 45.8 424 427 A V H > S+ 0 0 53 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.883 117.7 48.2 -65.4 -39.6 -7.5 16.6 46.1 425 428 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.923 112.1 48.9 -68.5 -42.2 -4.7 14.0 45.9 426 429 A G H X S+ 0 0 1 -4,-3.0 4,-3.0 -5,-0.3 -2,-0.2 0.889 109.8 52.3 -63.9 -37.7 -6.2 12.3 42.9 427 430 A E H X S+ 0 0 111 -4,-2.1 4,-2.3 -5,-0.3 6,-0.3 0.830 107.5 53.4 -66.4 -31.0 -6.7 15.6 41.2 428 431 A A H <>S+ 0 0 2 -4,-1.5 5,-2.0 2,-0.2 4,-0.4 0.916 111.0 44.7 -69.6 -43.5 -3.0 16.3 41.8 429 432 A W H ><5S+ 0 0 0 -4,-2.2 3,-1.5 3,-0.2 -2,-0.2 0.956 114.1 51.2 -63.3 -47.4 -2.0 13.0 40.2 430 433 A E H 3<5S+ 0 0 55 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.892 112.1 44.8 -55.2 -45.5 -4.4 13.7 37.3 431 434 A S T 3<5S- 0 0 37 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.385 113.3-116.4 -83.0 3.0 -3.0 17.2 36.7 432 435 A R T < 5S+ 0 0 25 -3,-1.5 2,-1.8 -4,-0.4 3,-0.3 0.662 71.0 140.0 68.9 18.3 0.6 15.9 36.9 433 436 A E >< + 0 0 61 -5,-2.0 4,-1.9 -6,-0.3 -1,-0.2 -0.531 19.1 159.6 -88.5 66.9 1.2 18.1 40.0 434 437 A F H > + 0 0 0 -2,-1.8 4,-2.6 1,-0.2 5,-0.2 0.883 65.4 55.5 -59.4 -45.0 3.1 15.2 41.5 435 438 A G H > S+ 0 0 5 -75,-2.9 4,-2.3 -3,-0.3 -1,-0.2 0.890 108.5 50.1 -57.5 -39.5 5.1 17.3 44.0 436 439 A K H > S+ 0 0 83 -76,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.908 109.1 50.9 -65.7 -42.9 1.8 18.6 45.3 437 440 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.934 111.6 47.7 -60.7 -46.0 0.4 15.1 45.7 438 441 A V H X S+ 0 0 6 -4,-2.6 4,-2.9 -81,-0.2 5,-0.2 0.907 110.6 51.4 -63.1 -41.7 3.4 13.9 47.6 439 442 A R H X S+ 0 0 164 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.920 112.0 47.1 -61.8 -42.0 3.3 16.9 49.9 440 443 A E H X S+ 0 0 64 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.914 113.4 48.4 -65.0 -42.9 -0.3 16.2 50.7 441 444 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.911 112.4 47.9 -64.5 -42.1 0.4 12.6 51.2 442 445 A M H X S+ 0 0 10 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.813 106.4 57.4 -70.6 -27.8 3.3 13.3 53.5 443 446 A A H X S+ 0 0 42 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.895 108.9 46.9 -66.7 -38.4 1.3 15.8 55.5 444 447 A L H X S+ 0 0 5 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.908 107.8 56.0 -67.7 -41.2 -1.2 13.0 56.1 445 448 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.893 105.3 52.9 -58.1 -38.4 1.7 10.8 57.1 446 449 A D H X S+ 0 0 62 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.906 108.5 49.1 -63.7 -41.4 2.7 13.4 59.7 447 450 A L H X S+ 0 0 66 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.886 110.2 52.1 -64.1 -39.5 -0.8 13.4 61.2 448 451 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 111.6 45.0 -63.3 -45.7 -0.7 9.6 61.3 449 452 A N H X S+ 0 0 16 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.824 110.5 54.6 -69.6 -28.4 2.6 9.5 63.2 450 453 A R H X S+ 0 0 121 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.910 107.1 52.2 -68.6 -41.1 1.4 12.3 65.5 451 454 A Y H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.938 110.0 47.3 -58.8 -48.9 -1.6 10.1 66.3 452 455 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.912 112.6 49.5 -61.2 -42.1 0.6 7.1 67.2 453 456 A D H < S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.891 109.5 51.9 -63.6 -39.2 2.8 9.3 69.3 454 457 A E H < S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 114.8 42.5 -64.9 -35.0 -0.2 10.7 71.1 455 458 A Q H < S- 0 0 77 -4,-2.0 5,-0.3 -5,-0.2 -1,-0.2 0.743 92.5-156.8 -83.1 -25.4 -1.4 7.2 71.8 456 459 A A >X - 0 0 18 -4,-2.0 4,-2.1 -5,-0.2 3,-1.7 0.936 11.8-173.3 47.0 67.7 2.0 5.9 72.8 457 460 A P H 3> S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.787 81.0 64.6 -60.2 -27.1 1.5 2.2 72.1 458 461 A W H 34 S+ 0 0 135 2,-0.2 4,-0.4 1,-0.2 -2,-0.1 0.739 109.2 41.3 -67.7 -21.0 5.0 1.4 73.6 459 462 A V H X4 S+ 0 0 45 -3,-1.7 3,-0.8 2,-0.1 -1,-0.2 0.876 114.2 49.4 -89.0 -47.9 3.6 2.7 76.9 460 463 A V H >< S+ 0 0 4 -4,-2.1 3,-1.4 -5,-0.3 6,-0.2 0.823 102.3 65.2 -60.6 -33.3 0.1 1.0 76.6 461 464 A A T 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.832 103.0 45.8 -60.4 -35.1 1.8 -2.3 75.7 462 465 A K T < S+ 0 0 168 -3,-0.8 2,-0.6 -4,-0.4 -1,-0.3 0.298 93.2 96.2 -93.5 9.8 3.4 -2.5 79.2 463 466 A Q S X S- 0 0 82 -3,-1.4 3,-1.6 -4,-0.2 -4,-0.0 -0.896 79.4-116.4-107.4 120.0 0.2 -1.6 81.1 464 467 A E T 3 S+ 0 0 106 -2,-0.6 -2,-0.1 1,-0.2 -3,-0.0 -0.142 93.6 13.8 -53.1 137.7 -1.9 -4.4 82.5 465 468 A G T 3 S+ 0 0 71 1,-0.1 3,-0.3 3,-0.0 -1,-0.2 0.501 94.2 106.2 76.2 5.0 -5.5 -4.7 81.2 466 469 A R <> + 0 0 80 -3,-1.6 4,-2.5 -6,-0.2 5,-0.2 0.137 38.0 114.5-101.1 20.0 -4.9 -2.4 78.2 467 470 A D H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.924 76.4 48.6 -54.4 -51.8 -4.8 -5.2 75.6 468 471 A A H > S+ 0 0 69 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.878 112.1 50.5 -57.4 -40.2 -7.9 -4.1 73.8 469 472 A D H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.904 108.1 52.0 -65.4 -42.9 -6.6 -0.5 73.7 470 473 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.931 110.1 48.0 -60.2 -46.6 -3.3 -1.6 72.3 471 474 A Q H X S+ 0 0 44 -4,-2.3 4,-2.3 1,-0.2 -65,-0.5 0.906 111.8 51.6 -61.2 -40.1 -5.0 -3.6 69.5 472 475 A A H X S+ 0 0 26 -4,-2.0 4,-1.9 -5,-0.2 -62,-0.4 0.941 112.1 45.2 -61.8 -48.7 -7.2 -0.5 68.8 473 476 A I H X S+ 0 0 5 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.941 115.9 44.8 -61.0 -50.7 -4.2 1.9 68.5 474 477 A C H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.848 111.9 52.4 -65.8 -34.0 -2.1 -0.4 66.4 475 478 A S H X S+ 0 0 4 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.877 107.3 53.5 -69.5 -35.5 -5.0 -1.3 64.0 476 479 A M H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.939 108.5 49.2 -63.1 -46.7 -5.7 2.4 63.6 477 480 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.897 110.5 50.5 -59.8 -41.2 -2.1 3.0 62.5 478 481 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.869 109.1 51.4 -66.9 -35.3 -2.2 0.1 60.1 479 482 A N H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.865 108.5 50.7 -70.5 -33.4 -5.4 1.4 58.5 480 483 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.900 109.5 52.2 -68.1 -36.6 -3.8 4.9 58.1 481 484 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.913 104.9 56.3 -61.9 -42.8 -0.9 3.0 56.4 482 485 A R H X S+ 0 0 10 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.926 109.5 45.3 -55.1 -47.3 -3.4 1.3 54.1 483 486 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.4 0.940 112.8 49.9 -64.3 -47.4 -4.7 4.6 52.9 484 487 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.893 109.7 50.3 -59.3 -42.4 -1.3 6.2 52.4 485 488 A M H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.760 106.9 56.5 -68.7 -24.0 -0.0 3.2 50.4 486 489 A T H >< S+ 0 0 0 -4,-1.2 3,-0.8 -3,-0.4 -1,-0.2 0.928 108.4 45.6 -71.3 -44.1 -3.1 3.5 48.2 487 490 A Y H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.806 118.0 44.9 -67.2 -29.1 -2.3 7.1 47.4 488 491 A L T >X S+ 0 0 1 -4,-1.6 4,-2.3 -5,-0.2 3,-1.2 0.438 83.2 100.8 -93.7 -1.0 1.3 6.1 46.8 489 492 A K T <4 S+ 0 0 44 -3,-0.8 -1,-0.2 -4,-0.4 7,-0.1 0.865 79.5 52.8 -54.4 -40.4 0.5 3.0 44.7 490 493 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -457,-0.2 0.798 115.9 43.1 -66.4 -23.5 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