==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 30-APR-09 3H9B . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.SCHMITT,I.C.TANRIKULU,T.H.YOO,M.PANVERT,D.A.TIRRELL,Y.MECH . 545 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 73.2 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 . 42 7.7 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 . 26 4.8 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 . 214 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.3 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 2 1 3 1 4 0 1 0 0 1 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 4 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 -21.6 -14.6 -4.0 31.3 2 5 A K - 0 0 79 282,-0.0 39,-3.0 1,-0.0 2,-0.5 -0.336 360.0-133.9 -75.7 158.7 -12.2 -2.0 29.2 3 6 A K E -a 41 0A 63 280,-0.3 282,-3.1 37,-0.2 2,-0.4 -0.979 30.9-178.4-113.9 120.5 -10.0 -3.4 26.4 4 7 A I E -ab 42 285A 0 37,-3.1 39,-2.6 -2,-0.5 2,-0.6 -0.980 19.7-167.3-129.9 128.5 -6.5 -2.1 26.8 5 8 A L E -ab 43 286A 2 280,-2.9 282,-2.8 -2,-0.4 2,-0.4 -0.964 16.9-175.8-112.9 118.7 -3.4 -2.7 24.7 6 9 A V E -ab 44 287A 0 37,-2.7 39,-3.3 -2,-0.6 2,-0.3 -0.941 1.4-177.1-118.0 137.8 -0.1 -1.5 26.3 7 10 A T E -ab 45 288A 0 280,-2.1 282,-2.6 -2,-0.4 2,-0.3 -0.863 16.3-150.6-130.7 165.0 3.3 -1.5 24.8 8 11 A C E - b 0 289A 0 37,-1.0 2,-0.2 -2,-0.3 39,-0.2 -0.878 44.3 -85.3-125.4 158.9 6.9 -0.7 25.7 9 12 A A - 0 0 9 280,-0.7 40,-0.1 -2,-0.3 16,-0.1 -0.480 49.3-112.1 -68.2 133.2 9.6 0.5 23.3 10 13 A S - 0 0 0 -2,-0.2 38,-0.2 38,-0.1 2,-0.1 -0.494 30.3-127.2 -68.5 124.5 11.3 -2.5 21.6 11 14 A P - 0 0 2 0, 0.0 38,-2.8 0, 0.0 2,-0.1 -0.452 28.7-103.6 -72.3 145.9 14.9 -2.8 22.8 12 15 A Y B > -e 49 0B 69 534,-0.6 3,-1.0 36,-0.2 38,-0.2 -0.449 22.4-132.1 -68.9 142.1 17.5 -3.0 20.0 13 16 A A T 3 S+ 0 0 1 36,-2.3 -1,-0.1 1,-0.2 37,-0.1 0.555 97.0 68.0 -72.2 -9.5 18.9 -6.5 19.4 14 17 A N T 3 S+ 0 0 50 2,-0.1 2,-0.3 59,-0.0 -1,-0.2 0.224 98.7 51.6 -98.0 17.9 22.6 -5.5 19.4 15 18 A G S < S- 0 0 31 -3,-1.0 2,-0.1 3,-0.0 3,-0.1 -0.996 80.1-110.0-150.9 152.8 22.8 -4.5 23.1 16 19 A S - 0 0 28 -2,-0.3 2,-0.2 1,-0.1 -4,-0.1 -0.407 43.3 -94.5 -80.5 157.6 22.0 -5.9 26.5 17 20 A I - 0 0 0 -2,-0.1 323,-2.5 -6,-0.1 324,-0.5 -0.517 49.5-179.1 -72.3 133.1 19.2 -4.7 28.8 18 21 A H B > -F 339 0C 45 321,-0.3 4,-2.1 -2,-0.2 3,-0.5 -0.682 46.0 -82.1-124.9-179.9 20.3 -2.1 31.3 19 22 A L H > S+ 0 0 0 319,-2.2 4,-1.5 1,-0.2 320,-0.1 0.755 124.2 60.3 -54.8 -29.0 18.7 0.0 34.1 20 23 A G H > S+ 0 0 16 2,-0.2 4,-1.2 318,-0.2 3,-0.3 0.945 106.3 44.7 -65.2 -48.8 17.4 2.5 31.6 21 24 A H H > S+ 0 0 42 -3,-0.5 4,-2.3 1,-0.2 3,-0.3 0.922 110.1 57.8 -59.1 -44.5 15.3 -0.1 29.8 22 25 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.812 96.8 60.1 -58.8 -33.4 14.1 -1.4 33.2 23 26 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.950 111.1 41.9 -59.3 -46.9 12.7 2.0 34.2 24 27 A E H X S+ 0 0 15 -4,-1.2 4,-2.4 -3,-0.3 -2,-0.2 0.931 116.5 45.5 -66.5 -48.3 10.3 1.9 31.3 25 28 A H H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.859 115.4 47.9 -67.5 -33.4 9.4 -1.8 31.5 26 29 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.924 110.4 51.5 -72.4 -42.9 8.8 -1.6 35.2 27 30 A Q H X S+ 0 0 2 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.940 114.0 44.4 -57.9 -47.0 6.7 1.5 34.9 28 31 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.901 111.8 52.9 -64.3 -42.0 4.5 -0.1 32.3 29 32 A D H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.887 106.7 51.7 -63.2 -40.1 4.3 -3.4 34.2 30 33 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.942 113.4 45.2 -61.3 -45.3 3.1 -1.7 37.4 31 34 A W H X S+ 0 0 4 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.926 114.0 49.5 -63.2 -45.9 0.4 0.1 35.4 32 35 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.916 109.9 49.7 -60.4 -46.6 -0.6 -3.1 33.6 33 36 A R H X S+ 0 0 63 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.879 111.1 50.5 -62.8 -36.7 -0.8 -5.1 36.8 34 37 A Y H X S+ 0 0 7 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.928 109.0 50.9 -66.5 -43.7 -3.0 -2.5 38.3 35 38 A Q H <>S+ 0 0 0 -4,-2.4 5,-1.7 1,-0.2 3,-0.4 0.898 110.1 49.9 -60.6 -39.7 -5.3 -2.4 35.3 36 39 A R H ><5S+ 0 0 77 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.884 105.5 57.4 -66.0 -36.7 -5.6 -6.2 35.5 37 40 A M H 3<5S+ 0 0 38 -4,-1.9 472,-0.4 1,-0.3 -1,-0.2 0.783 101.9 56.3 -64.0 -26.1 -6.5 -5.9 39.2 38 41 A R T 3<5S- 0 0 99 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.325 123.2-104.6 -89.2 9.1 -9.4 -3.7 38.3 39 42 A G T < 5 + 0 0 57 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.538 69.9 143.4 85.9 9.2 -10.8 -6.3 36.0 40 43 A H < - 0 0 35 -5,-1.7 2,-0.8 -39,-0.1 -1,-0.2 -0.379 58.3-110.0 -82.3 159.4 -9.9 -5.0 32.6 41 44 A E E -a 3 0A 84 -39,-3.0 -37,-3.1 -2,-0.1 2,-0.4 -0.812 47.6-175.5 -86.5 113.1 -8.9 -7.0 29.5 42 45 A V E -a 4 0A 14 -2,-0.8 2,-0.5 -39,-0.2 -37,-0.2 -0.927 22.6-170.0-119.5 139.3 -5.2 -6.1 29.1 43 46 A N E -a 5 0A 4 -39,-2.6 -37,-2.7 -2,-0.4 2,-0.8 -0.943 8.1-164.2-127.6 106.1 -2.7 -7.0 26.5 44 47 A F E -a 6 0A 0 -2,-0.5 45,-3.1 43,-0.3 46,-1.3 -0.842 20.6-175.1 -94.0 109.7 0.9 -6.1 27.4 45 48 A I E +ac 7 90A 0 -39,-3.3 -37,-1.0 -2,-0.8 2,-0.3 -0.888 15.4 143.6-117.6 136.7 2.8 -6.3 24.1 46 49 A C E - c 0 91A 0 44,-2.0 46,-2.3 -2,-0.4 2,-0.3 -0.893 14.8-175.3-152.0-177.7 6.5 -5.9 23.2 47 50 A A E - c 0 92A 0 44,-0.3 2,-0.4 -2,-0.3 46,-0.3 -0.966 35.0 -90.3-171.9 170.0 9.2 -7.2 20.9 48 51 A D E - c 0 93A 1 44,-1.6 46,-2.3 -2,-0.3 2,-1.1 -0.802 33.3-130.9 -95.9 137.0 12.9 -7.0 20.1 49 52 A D B +e 12 0B 0 -38,-2.8 -36,-2.3 -2,-0.4 204,-0.1 -0.793 39.1 167.4 -89.5 100.8 13.9 -4.4 17.5 50 53 A A + 0 0 0 -2,-1.1 2,-0.2 -38,-0.2 -1,-0.1 0.348 33.6 87.0-103.6 5.6 16.0 -6.6 15.2 51 54 A H + 0 0 3 198,-0.1 185,-0.2 4,-0.1 4,-0.2 -0.548 48.5 76.6-105.4 169.6 16.7 -4.7 12.0 52 55 A G S > S- 0 0 3 183,-2.5 4,-2.2 -2,-0.2 5,-0.1 -0.333 77.9 -77.3 120.9 160.4 19.3 -2.3 10.7 53 56 A T H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.901 121.4 55.8 -61.3 -44.5 22.8 -1.7 9.5 54 57 A P H > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.912 110.9 45.4 -57.1 -41.4 24.4 -1.9 13.0 55 58 A I H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.918 111.6 51.7 -68.1 -42.7 22.9 -5.3 13.6 56 59 A M H X S+ 0 0 14 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.934 113.5 44.6 -59.0 -47.0 23.9 -6.6 10.1 57 60 A L H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.877 110.1 54.0 -66.8 -39.4 27.5 -5.5 10.6 58 61 A K H X S+ 0 0 67 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.919 108.7 49.8 -62.0 -42.9 27.7 -6.9 14.2 59 62 A A H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-0.8 0.901 109.4 50.8 -62.7 -41.9 26.6 -10.3 12.9 60 63 A Q H ><5S+ 0 0 91 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.904 109.6 51.3 -63.0 -39.2 29.1 -10.3 10.1 61 64 A Q H 3<5S+ 0 0 156 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 110.2 48.8 -64.4 -38.0 31.8 -9.5 12.7 62 65 A L H 3<5S- 0 0 99 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.579 110.9-124.9 -78.2 -10.2 30.7 -12.3 14.9 63 66 A G T <<5S+ 0 0 66 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.2 0.768 74.1 107.8 72.1 25.3 30.8 -14.7 11.9 64 67 A I S - 0 0 75 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.379 32.6-121.9 -71.5 152.2 23.9 -15.0 10.6 66 69 A P H > S+ 0 0 29 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.880 114.5 59.1 -62.5 -33.2 21.9 -12.0 11.8 67 70 A E H > S+ 0 0 100 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.918 107.0 45.4 -60.1 -44.2 19.0 -14.5 12.4 68 71 A Q H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.943 114.2 48.9 -65.5 -45.9 21.2 -16.4 14.8 69 72 A M H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.924 112.0 45.9 -60.9 -48.7 22.5 -13.3 16.6 70 73 A I H X S+ 0 0 14 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.817 110.2 56.4 -66.8 -27.5 19.1 -11.7 17.1 71 74 A G H X S+ 0 0 33 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.919 108.3 46.9 -68.6 -41.2 17.7 -15.0 18.3 72 75 A E H X S+ 0 0 112 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.910 114.7 45.1 -67.1 -42.3 20.3 -15.2 21.0 73 76 A M H X S+ 0 0 17 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.833 108.0 58.5 -72.2 -29.7 19.8 -11.6 22.1 74 77 A S H X S+ 0 0 18 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.939 108.7 45.9 -61.8 -44.7 16.1 -12.0 22.1 75 78 A Q H X S+ 0 0 121 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.894 111.7 51.1 -64.8 -40.7 16.5 -14.8 24.6 76 79 A E H X S+ 0 0 69 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.938 111.7 47.8 -62.3 -46.3 18.9 -12.8 26.7 77 80 A H H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.932 112.2 48.1 -59.4 -49.4 16.5 -9.9 26.8 78 81 A Q H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.832 108.7 54.8 -63.6 -31.7 13.5 -12.0 27.7 79 82 A T H X S+ 0 0 92 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.923 111.2 45.3 -67.3 -42.2 15.4 -13.8 30.4 80 83 A D H X S+ 0 0 11 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.946 114.0 47.5 -65.7 -48.9 16.3 -10.4 32.0 81 84 A F H ><>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 3,-0.6 0.879 111.2 51.8 -60.5 -38.0 12.7 -9.1 31.7 82 85 A A H ><5S+ 0 0 61 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.870 103.3 59.5 -65.9 -34.8 11.3 -12.3 33.2 83 86 A G H 3<5S+ 0 0 30 -4,-1.7 266,-0.3 1,-0.3 -1,-0.2 0.754 108.1 44.7 -64.5 -24.3 13.8 -11.9 36.0 84 87 A F T <<5S- 0 0 0 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.258 116.3-117.5-101.3 9.3 12.1 -8.6 36.8 85 88 A N T < 5 + 0 0 33 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.875 45.8 173.9 56.7 44.3 8.6 -10.1 36.4 86 89 A I < - 0 0 9 -5,-2.2 2,-1.6 1,-0.1 -1,-0.2 -0.755 26.6-143.3 -82.6 111.4 7.6 -7.9 33.5 87 90 A S + 0 0 23 -2,-0.9 -43,-0.3 -3,-0.1 -1,-0.1 -0.260 28.6 172.8 -78.9 52.3 4.3 -9.6 32.7 88 91 A Y - 0 0 42 -2,-1.6 -43,-0.2 1,-0.2 3,-0.2 -0.237 30.1-153.2 -59.9 145.0 4.1 -9.4 28.9 89 92 A D S S+ 0 0 48 -45,-3.1 2,-0.3 1,-0.4 -44,-0.2 0.669 87.1 5.2 -88.5 -21.2 1.3 -11.3 27.2 90 93 A N E -c 45 0A 10 -46,-1.3 -44,-2.0 2,-0.0 2,-0.5 -0.915 56.3-170.1-163.6 135.5 3.5 -11.6 24.2 91 94 A Y E +c 46 0A 21 -2,-0.3 -44,-0.3 -46,-0.2 2,-0.1 -0.950 30.1 159.0-128.2 106.8 7.2 -10.7 23.3 92 95 A H E -c 47 0A 34 -46,-2.3 -44,-1.6 -2,-0.5 2,-0.3 -0.017 34.3-102.5-109.1-150.7 7.8 -11.0 19.6 93 96 A S E -c 48 0A 21 -46,-0.3 6,-0.3 163,-0.1 -44,-0.2 -0.993 11.4-134.4-143.1 147.3 10.3 -9.7 17.1 94 97 A T S S+ 0 0 0 -46,-2.3 2,-1.3 -2,-0.3 -45,-0.1 0.699 103.7 72.7 -72.4 -17.7 10.3 -7.0 14.4 95 98 A H S S+ 0 0 46 -47,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.708 80.0 108.8 -96.3 81.9 11.9 -9.7 12.3 96 99 A S S > S- 0 0 17 -2,-1.3 4,-2.1 1,-0.1 5,-0.1 -0.964 80.3-111.6-149.9 162.2 8.8 -11.8 11.8 97 100 A E H > S+ 0 0 117 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.850 116.3 57.6 -66.7 -34.2 6.3 -12.7 9.1 98 101 A E H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 110.9 41.9 -62.8 -44.2 3.6 -10.8 10.9 99 102 A N H > S+ 0 0 0 -6,-0.3 4,-2.7 2,-0.2 5,-0.2 0.858 111.7 55.4 -72.2 -33.1 5.6 -7.6 10.8 100 103 A R H X S+ 0 0 67 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.955 112.5 42.6 -62.8 -47.4 6.7 -8.2 7.2 101 104 A Q H X S+ 0 0 113 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.913 117.1 45.6 -66.2 -42.7 3.1 -8.5 6.1 102 105 A L H X S+ 0 0 10 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.876 113.1 50.7 -69.4 -35.6 1.9 -5.5 8.2 103 106 A S H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.932 113.3 44.9 -66.9 -44.0 4.8 -3.4 7.1 104 107 A E H X S+ 0 0 69 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.891 114.0 51.5 -65.4 -38.0 4.2 -4.2 3.4 105 108 A L H X S+ 0 0 58 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.949 111.8 44.4 -63.3 -50.7 0.5 -3.6 3.9 106 109 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.923 114.4 49.6 -62.5 -43.7 0.9 -0.2 5.5 107 110 A Y H X S+ 0 0 10 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.931 110.6 50.6 -60.5 -45.4 3.5 0.9 3.0 108 111 A S H X S+ 0 0 56 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.894 112.1 47.0 -60.5 -40.8 1.3 -0.2 0.1 109 112 A R H X S+ 0 0 81 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.901 112.1 49.6 -68.5 -40.7 -1.7 1.8 1.6 110 113 A L H <>S+ 0 0 1 -4,-2.6 5,-2.9 2,-0.2 6,-0.4 0.902 112.6 48.8 -63.9 -39.8 0.5 4.8 2.1 111 114 A K H ><5S+ 0 0 105 -4,-2.7 3,-1.5 1,-0.2 5,-0.3 0.931 110.9 48.2 -66.5 -46.1 1.7 4.6 -1.4 112 115 A E H 3<5S+ 0 0 171 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.826 109.5 54.6 -64.2 -31.1 -1.7 4.2 -3.0 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327 330 A G T 3 S+ 0 0 53 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.246 120.4 85.3 85.1 -11.7 22.6 12.0 40.2 328 331 A A E < S-Q 325 0I 56 -3,-1.6 -3,-2.8 1,-0.1 -1,-0.2 -0.804 88.2 -81.4-123.9 163.7 24.5 11.6 37.0 329 332 A K E S-Q 324 0I 178 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.1 -0.235 70.5 -79.7 -54.7 146.2 24.2 9.8 33.6 330 333 A M - 0 0 29 -7,-0.5 2,-0.5 6,-0.1 7,-0.2 -0.259 51.7-157.3 -54.3 134.7 25.3 6.2 33.9 331 334 A S >> - 0 0 21 1,-0.1 5,-2.9 -3,-0.1 6,-0.9 -0.971 18.7-161.6-123.4 120.6 29.1 5.9 33.8 332 335 A K T >45S+ 0 0 154 -2,-0.5 3,-1.1 1,-0.2 -1,-0.1 0.925 95.9 53.7 -62.7 -45.6 31.0 2.8 32.8 333 336 A S T 345S+ 0 0 93 1,-0.3 -1,-0.2 2,-0.1 211,-0.1 0.836 112.7 43.9 -58.9 -34.7 34.2 4.0 34.5 334 337 A R T 345S- 0 0 169 209,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.527 113.8-118.8 -87.8 -7.1 32.4 4.5 37.7 335 338 A G T <<5S+ 0 0 0 -3,-1.1 -3,-0.2 -4,-0.6 208,-0.2 0.784 82.3 118.5 75.1 26.5 30.6 1.2 37.4 336 339 A T < + 0 0 9 -5,-2.9 2,-1.4 207,-0.1 -4,-0.2 0.413 42.1 94.7-103.4 -0.7 27.1 2.9 37.3 337 340 A F - 0 0 60 -6,-0.9 2,-0.5 -7,-0.2 -1,-0.1 -0.773 68.8-172.1 -89.0 93.0 26.2 1.6 33.9 338 341 A I - 0 0 0 -2,-1.4 -319,-2.2 4,-0.0 -318,-0.2 -0.799 18.4-142.9-101.6 128.6 24.4 -1.3 35.3 339 342 A K B > -F 18 0C 74 -2,-0.5 4,-2.4 -321,-0.2 -321,-0.3 -0.536 20.7-124.9 -82.4 149.7 23.0 -4.2 33.3 340 343 A A H > S+ 0 0 0 -323,-2.5 4,-1.6 1,-0.2 -322,-0.1 0.886 112.8 52.6 -61.1 -39.4 19.7 -5.8 34.3 341 344 A S H 4 S+ 0 0 44 -324,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.899 109.3 48.6 -64.0 -41.4 21.4 -9.2 34.4 342 345 A T H >> S+ 0 0 23 1,-0.2 3,-1.7 2,-0.2 4,-0.7 0.929 105.5 58.6 -64.7 -45.2 24.1 -7.9 36.8 343 346 A W H >X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.3 3,-1.6 0.906 100.8 55.6 -50.0 -48.2 21.5 -6.3 39.0 344 347 A L H 3< S+ 0 0 57 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.647 96.9 64.1 -64.3 -15.0 19.8 -9.6 39.7 345 348 A N H <4 S+ 0 0 130 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.729 118.0 26.4 -78.2 -20.7 23.1 -11.1 40.9 346 349 A H H << S+ 0 0 47 -3,-1.6 2,-0.3 -4,-0.7 -2,-0.2 0.761 128.3 18.9-109.8 -38.8 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40.7 357 360 A T H 3< S+ 0 0 0 -4,-2.2 81,-0.2 -5,-0.3 -1,-0.2 0.872 105.3 55.7 -60.4 -37.8 7.9 3.4 41.6 358 361 A A H 3< S+ 0 0 7 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.762 115.8 38.8 -66.6 -23.3 8.5 5.6 44.6 359 362 A K H << S+ 0 0 65 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.658 95.6 101.7 -99.2 -22.4 10.2 8.2 42.4 360 363 A L < + 0 0 4 -4,-1.9 75,-2.7 -5,-0.1 2,-0.2 -0.270 41.2 163.3 -69.1 151.1 8.0 7.9 39.3 361 364 A S - 0 0 32 2,-0.4 72,-0.2 73,-0.2 -2,-0.0 -0.817 54.4 -86.0-148.7-173.5 5.3 10.5 38.4 362 365 A S S S+ 0 0 32 -2,-0.2 -43,-0.2 -42,-0.0 2,-0.1 0.431 99.9 86.5 -83.5 1.0 3.1 11.6 35.4 363 366 A R S S- 0 0 99 69,-0.1 -2,-0.4 -155,-0.1 -42,-0.3 -0.431 83.9-119.1 -96.7 174.1 5.9 13.9 34.2 364 367 A I + 0 0 16 -44,-0.2 -42,-0.2 -2,-0.1 -72,-0.1 0.246 63.1 134.9 -97.0 12.8 8.9 13.3 32.0 365 368 A D - 0 0 79 -44,-0.2 -44,-0.9 1,-0.1 -4,-0.2 -0.210 63.9 -95.0 -62.4 151.6 11.6 14.2 34.6 366 369 A D - 0 0 74 -45,-0.2 2,-0.5 -46,-0.1 -43,-0.2 -0.328 33.7-132.0 -66.5 149.9 14.7 12.0 35.0 367 370 A I E -p 323 0I 11 -45,-2.7 -43,-2.5 -3,-0.1 2,-0.6 -0.924 17.8-148.7-108.5 121.9 14.6 9.3 37.7 368 371 A D E -p 324 0I 39 -2,-0.5 2,-1.1 -45,-0.2 -43,-0.2 -0.802 8.9-159.8 -99.2 123.3 17.6 9.1 39.9 369 372 A L E -p 325 0I 0 -45,-3.4 -43,-1.9 -2,-0.6 2,-0.8 -0.803 14.2-173.0 -96.6 91.4 18.8 5.9 41.5 370 373 A N > - 0 0 55 -2,-1.1 4,-2.2 -45,-0.2 5,-0.1 -0.819 14.0-151.6 -86.9 115.1 20.9 7.1 44.4 371 374 A L H > S+ 0 0 3 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.832 92.2 50.4 -59.4 -37.9 22.5 4.0 45.7 372 375 A E H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 114.3 45.8 -65.7 -43.2 22.8 5.2 49.3 373 376 A D H > S+ 0 0 39 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.833 106.0 61.6 -67.2 -33.3 19.2 6.2 49.3 374 377 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.943 106.8 44.0 -57.9 -50.0 18.2 2.9 47.7 375 378 A V H X S+ 0 0 12 -4,-1.8 4,-2.1 1,-0.2 156,-0.3 0.945 117.1 45.5 -61.4 -49.0 19.6 1.0 50.7 376 379 A Q H X S+ 0 0 131 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.909 115.5 45.7 -62.4 -43.9 17.9 3.3 53.2 377 380 A R H X>S+ 0 0 69 -4,-3.3 4,-2.8 2,-0.2 5,-0.6 0.892 112.6 48.4 -69.7 -41.9 14.6 3.5 51.5 378 381 A V H X>S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.3 5,-1.5 0.948 116.6 43.5 -64.0 -46.8 14.2 -0.2 50.8 379 382 A N H <>S+ 0 0 8 -4,-2.1 5,-2.4 -5,-0.3 -2,-0.2 0.914 118.9 43.7 -64.8 -42.7 15.1 -1.1 54.4 380 383 A A H <5S+ 0 0 41 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.916 125.1 29.3 -70.4 -44.9 12.9 1.7 55.9 381 384 A D H <>S+ 0 0 20 -4,-2.8 5,-2.3 -5,-0.2 4,-0.5 0.921 129.5 29.7 -85.0 -49.2 9.8 1.2 53.7 382 385 A I T 5S+ 0 0 52 -4,-0.5 4,-0.6 -6,-0.2 -3,-0.2 0.815 129.8 20.6-108.2 -58.8 7.1 -0.3 57.5 386 389 A V H >>> S+ 0 0 37 -5,-0.4 4,-2.3 -6,-0.4 5,-0.3 0.861 89.0 61.8 -55.9 -38.6 7.2 -5.3 59.7 389 392 A L H << S+ 0 0 0 -3,-1.1 4,-0.3 -4,-0.6 -1,-0.3 0.824 113.2 35.8 -59.5 -31.4 3.4 -5.5 60.2 390 393 A A H XX S+ 0 0 0 -3,-1.1 4,-2.9 -4,-0.6 3,-0.9 0.923 117.2 49.9 -86.1 -50.4 3.5 -9.1 59.3 391 394 A S H 3< S+ 0 0 63 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.718 111.0 48.4 -62.8 -25.9 6.8 -10.1 60.9 392 395 A R T 3< S+ 0 0 59 -4,-2.3 -1,-0.2 -5,-0.2 4,-0.2 0.665 122.7 32.6 -89.6 -14.5 6.1 -8.6 64.3 393 396 A N T <> S+ 0 0 0 -3,-0.9 4,-1.4 -5,-0.3 -2,-0.2 0.713 101.0 71.3-111.8 -28.4 2.6 -10.2 64.6 394 397 A A H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.858 91.1 61.4 -61.1 -39.5 2.7 -13.5 62.8 395 398 A G H > S+ 0 0 31 -4,-0.4 4,-2.9 -5,-0.2 5,-0.3 0.931 104.9 45.8 -54.2 -52.5 4.9 -15.2 65.4 396 399 A F H >>S+ 0 0 62 -4,-0.2 4,-2.6 1,-0.2 5,-0.6 0.893 112.9 51.8 -59.6 -41.2 2.4 -14.8 68.3 397 400 A I H X5S+ 0 0 0 -4,-1.4 6,-2.7 3,-0.2 4,-1.3 0.936 115.5 40.3 -62.8 -45.7 -0.5 -15.9 66.1 398 401 A N H <5S+ 0 0 35 -4,-2.7 4,-0.4 4,-0.2 -2,-0.2 0.907 122.8 39.0 -70.7 -42.1 1.3 -19.1 65.0 399 402 A K H <5S+ 0 0 178 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.834 130.1 23.7 -79.8 -34.5 2.8 -20.0 68.4 400 403 A R H <5S+ 0 0 94 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.617 129.6 35.7-109.6 -13.7 -0.0 -19.1 70.8 401 404 A F S >< + 0 0 48 61,-0.1 4,-1.9 1,-0.1 3,-0.3 -0.675 65.7 172.1-137.0 80.3 -10.3 -1.5 65.6 412 415 A P H > S+ 0 0 81 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.844 80.5 58.3 -55.4 -38.6 -12.9 -1.3 62.8 413 416 A Q H > S+ 0 0 163 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.928 107.1 45.9 -59.3 -47.5 -12.5 2.4 62.5 414 417 A L H > S+ 0 0 27 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.895 110.9 53.7 -63.8 -39.5 -8.8 2.2 61.7 415 418 A Y H X S+ 0 0 10 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.893 106.6 52.3 -62.5 -39.4 -9.5 -0.6 59.2 416 419 A K H X S+ 0 0 120 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.858 103.1 57.9 -65.3 -34.9 -12.1 1.6 57.5 417 420 A T H X S+ 0 0 68 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.901 109.3 46.9 -61.1 -38.1 -9.5 4.4 57.2 418 421 A F H >< S+ 0 0 0 -4,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.919 115.2 42.3 -70.4 -44.8 -7.3 1.9 55.3 419 422 A T H >< S+ 0 0 12 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.804 106.5 62.8 -74.0 -26.8 -10.0 0.7 52.9 420 423 A D H >< S+ 0 0 92 -4,-2.7 3,-0.7 1,-0.3 4,-0.4 0.765 94.8 64.3 -66.0 -24.4 -11.3 4.2 52.4 421 424 A A T S+ 0 0 12 -3,-1.3 4,-3.0 1,-0.2 5,-0.3 0.877 83.0 55.0 -54.5 -42.0 -8.4 2.6 48.0 423 426 A E H <> S+ 0 0 142 -3,-0.7 4,-2.2 -4,-0.3 -1,-0.2 0.957 112.3 39.9 -58.1 -55.4 -10.1 5.3 45.8 424 427 A V H > S+ 0 0 54 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.889 117.9 48.6 -64.0 -40.0 -7.3 7.8 46.0 425 428 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.926 111.8 48.7 -67.3 -43.0 -4.5 5.2 45.7 426 429 A G H X S+ 0 0 1 -4,-3.0 4,-2.8 -5,-0.3 -2,-0.2 0.897 109.4 52.9 -62.8 -39.3 -6.1 3.5 42.8 427 430 A E H X S+ 0 0 106 -4,-2.2 4,-2.5 -5,-0.3 6,-0.3 0.852 107.4 53.1 -64.5 -33.2 -6.5 6.9 41.1 428 431 A A H <>S+ 0 0 7 -4,-1.6 5,-2.1 2,-0.2 4,-0.4 0.909 110.6 45.2 -68.8 -43.3 -2.8 7.5 41.6 429 432 A W H ><5S+ 0 0 0 -4,-2.1 3,-1.3 3,-0.2 -2,-0.2 0.948 114.3 51.0 -63.4 -45.6 -1.9 4.2 40.0 430 433 A E H 3<5S+ 0 0 61 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.899 112.4 43.9 -56.7 -47.2 -4.3 5.0 37.2 431 434 A S T 3<5S- 0 0 50 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.386 114.2-115.7 -81.9 2.8 -2.9 8.5 36.5 432 435 A R T < 5S+ 0 0 24 -3,-1.3 2,-1.7 -4,-0.4 3,-0.3 0.669 71.3 140.2 69.7 18.5 0.7 7.2 36.7 433 436 A E >< + 0 0 63 -5,-2.1 4,-2.0 -6,-0.3 3,-0.2 -0.512 17.8 159.1 -89.0 66.0 1.3 9.3 39.8 434 437 A F H > + 0 0 0 -2,-1.7 4,-2.7 1,-0.2 5,-0.2 0.880 66.1 55.8 -58.6 -43.9 3.3 6.4 41.3 435 438 A G H > S+ 0 0 3 -75,-2.7 4,-2.1 -3,-0.3 -1,-0.2 0.887 108.5 49.1 -58.4 -39.2 5.2 8.5 43.8 436 439 A K H > S+ 0 0 69 -76,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.916 109.7 51.2 -66.4 -43.9 1.9 9.8 45.2 437 440 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.937 111.3 47.6 -58.3 -48.4 0.5 6.3 45.5 438 441 A V H X S+ 0 0 6 -4,-2.7 4,-2.9 -81,-0.2 5,-0.2 0.902 110.1 52.6 -61.5 -41.0 3.6 5.1 47.4 439 442 A R H X S+ 0 0 150 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.914 111.0 47.0 -61.6 -41.6 3.5 8.1 49.7 440 443 A E H X S+ 0 0 56 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.934 113.4 48.7 -64.0 -46.5 -0.2 7.4 50.5 441 444 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.918 112.7 46.8 -60.9 -44.8 0.6 3.7 51.1 442 445 A M H X S+ 0 0 10 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.813 107.6 56.5 -69.6 -28.7 3.6 4.5 53.4 443 446 A A H X S+ 0 0 45 -4,-1.8 4,-1.7 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0.878 108.0 54.1 -64.2 -36.2 3.1 0.6 69.2 454 457 A E H < S+ 0 0 131 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 113.5 42.3 -66.1 -31.1 0.0 2.0 71.0 455 458 A Q H < S- 0 0 72 -4,-1.7 5,-0.3 -3,-0.2 -1,-0.2 0.655 94.7-153.8 -88.5 -18.8 -1.1 -1.6 71.8 456 459 A A >X - 0 0 20 -4,-1.5 4,-2.2 -5,-0.2 3,-2.1 0.904 14.3-174.3 44.8 65.0 2.4 -2.7 72.7 457 460 A P H 3> S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.797 80.3 64.6 -58.1 -28.0 2.1 -6.4 72.0 458 461 A W H 34 S+ 0 0 146 2,-0.2 4,-0.2 1,-0.2 -2,-0.1 0.677 110.6 39.2 -69.5 -14.9 5.6 -7.1 73.4 459 462 A V H X4 S+ 0 0 44 -3,-2.1 3,-1.2 2,-0.1 4,-0.5 0.830 113.9 51.6 -95.9 -48.2 4.2 -6.0 76.7 460 463 A V H >< S+ 0 0 2 -4,-2.2 3,-1.3 -5,-0.3 6,-0.3 0.867 101.6 64.5 -56.4 -38.5 0.8 -7.6 76.4 461 464 A A T 3< S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.746 103.3 45.3 -59.8 -27.1 2.4 -10.9 75.6 462 465 A K T < S+ 0 0 169 -3,-1.2 2,-0.4 -4,-0.2 -1,-0.3 0.470 94.2 99.1 -97.4 -1.5 4.1 -11.2 79.0 463 466 A Q S X S- 0 0 66 -3,-1.3 3,-1.6 -4,-0.5 -4,-0.0 -0.742 80.5-102.1 -98.0 132.6 1.1 -10.3 81.1 464 467 A E T 3 S- 0 0 160 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 -0.083 96.3 -2.2 -47.3 133.1 -1.3 -12.8 82.8 465 468 A G T 3 S+ 0 0 81 1,-0.1 3,-0.3 3,-0.0 -1,-0.2 0.627 92.3 117.5 59.8 18.5 -4.6 -13.5 81.1 466 469 A R <> + 0 0 76 -3,-1.6 4,-2.3 -6,-0.3 5,-0.2 0.063 31.2 116.7-103.2 27.0 -4.1 -11.1 78.2 467 470 A D H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 75.4 50.8 -56.8 -50.1 -4.2 -13.8 75.5 468 471 A A H > S+ 0 0 67 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.911 110.0 50.8 -55.4 -45.5 -7.4 -12.5 73.9 469 472 A D H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 109.9 50.1 -59.2 -45.7 -5.9 -9.0 73.8 470 473 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.935 110.8 47.7 -60.9 -47.5 -2.7 -10.3 72.1 471 474 A Q H X S+ 0 0 47 -4,-2.6 4,-2.2 1,-0.2 -65,-0.5 0.898 112.8 50.7 -61.0 -39.3 -4.6 -12.2 69.4 472 475 A A H X S+ 0 0 27 -4,-2.3 4,-2.0 -5,-0.2 -62,-0.4 0.942 112.9 44.0 -63.2 -50.2 -6.8 -9.2 68.8 473 476 A I H X S+ 0 0 5 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.952 116.8 45.0 -60.4 -52.8 -3.8 -6.8 68.4 474 477 A C H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.861 112.6 51.2 -62.9 -36.3 -1.7 -9.1 66.2 475 478 A S H X S+ 0 0 3 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.889 108.6 52.5 -68.0 -38.0 -4.7 -10.1 64.0 476 479 A M H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.927 108.5 50.1 -63.1 -45.2 -5.5 -6.4 63.5 477 480 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.896 109.4 51.3 -60.6 -40.1 -1.9 -5.7 62.4 478 481 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.866 108.4 51.6 -66.9 -35.6 -2.0 -8.6 59.9 479 482 A N H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.859 108.1 50.9 -70.1 -33.2 -5.2 -7.3 58.4 480 483 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.896 109.3 52.5 -68.3 -35.9 -3.7 -3.9 57.9 481 484 A F H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.910 104.4 56.2 -62.3 -42.9 -0.8 -5.7 56.2 482 485 A R H X S+ 0 0 10 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.921 109.7 45.4 -55.5 -46.3 -3.3 -7.5 54.0 483 486 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 3,-0.5 0.942 112.7 49.2 -64.8 -48.3 -4.6 -4.1 52.8 484 487 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.894 109.6 51.4 -59.8 -42.2 -1.2 -2.5 52.3 485 488 A M H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.769 106.4 55.8 -67.2 -24.4 0.1 -5.5 50.3 486 489 A T H >< S+ 0 0 0 -4,-1.1 3,-0.9 -3,-0.5 -1,-0.2 0.934 108.1 46.8 -71.4 -44.6 -3.0 -5.3 48.0 487 490 A Y H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.815 117.9 44.2 -64.6 -30.5 -2.2 -1.6 47.2 488 491 A L H >X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 3,-1.3 0.450 83.0 101.1 -93.9 -1.6 1.4 -2.7 46.6 489 492 A K T << S+ 0 0 43 -3,-0.9 -1,-0.2 -4,-0.5 7,-0.1 0.858 80.2 52.4 -53.2 -40.0 0.6 -5.8 44.5 490 493 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -457,-0.2 0.794 116.1 42.7 -67.7 -22.7 1.3 -4.1 41.2 491 494 A V T <4 S+ 0 0 0 -3,-1.3 -2,-0.2 1,-0.2 -134,-0.1 0.866 118.7 35.6 -89.4 -42.0 4.7 -3.0 42.5 492 495 A L X + 0 0 0 -4,-2.4 4,-2.3 -7,-0.2 -1,-0.2 -0.671 60.1 168.9-120.0 77.8 6.1 -6.0 44.3 493 496 A P H > S+ 0 0 9 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.876 79.1 42.6 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-78.3 -9.4 -2.2 -15.2 54.4 504 507 A N T <5S+ 0 0 75 -4,-1.0 2,-0.3 -3,-0.2 -3,-0.2 0.853 73.8 93.9 59.4 35.2 -3.6 -18.2 52.6 505 508 A T S - 0 0 55 -2,-0.7 4,-0.6 1,-0.1 -470,-0.1 -0.857 38.3-119.4-116.4 154.8 -7.8 -8.8 45.1 509 512 A W T >4 S+ 0 0 12 -472,-0.4 3,-0.6 -2,-0.3 -1,-0.1 0.919 114.9 38.4 -58.3 -47.1 -8.6 -5.1 45.0 510 513 A D G >4 S+ 0 0 111 1,-0.2 3,-1.9 2,-0.1 -1,-0.2 0.725 98.9 80.3 -77.2 -22.2 -12.2 -5.5 46.2 511 514 A G G >4 S+ 0 0 6 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.735 73.3 75.7 -57.9 -25.6 -11.3 -8.2 48.7 512 515 A I G << S+ 0 0 1 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.1 0.692 79.6 73.3 -62.4 -16.7 -10.0 -5.7 51.2 513 516 A Q G < S+ 0 0 112 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.689 95.4 56.0 -69.8 -17.3 -13.6 -4.9 52.0 514 517 A Q S < S- 0 0 126 -3,-2.2 -1,-0.2 -4,-0.2 3,-0.0 -0.884 85.3-151.1-116.6 97.7 -13.8 -8.3 53.8 515 518 A P - 0 0 31 0, 0.0 2,-0.7 0, 0.0 -2,-0.0 -0.181 29.3 -96.8 -64.4 162.8 -11.1 -8.6 56.5 516 519 A L + 0 0 15 -41,-0.1 2,-0.4 3,-0.0 3,-0.2 -0.739 53.6 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47.0-152.8-154.7 109.7 11.5 -14.3 56.2 527 530 A L S S- 0 0 5 -2,-0.3 2,-0.3 1,-0.2 -29,-0.1 0.811 81.7 -2.1 -55.7 -36.4 9.3 -12.2 53.8 528 531 A Y - 0 0 21 -145,-0.1 -1,-0.2 -141,-0.1 2,-0.2 -0.849 67.8-149.9-162.9 122.5 12.0 -9.6 53.1 529 532 A N - 0 0 114 -2,-0.3 -146,-0.1 -3,-0.2 2,-0.1 -0.532 28.2-101.0 -93.5 160.3 15.6 -9.2 54.3 530 533 A R - 0 0 154 -2,-0.2 2,-0.3 -147,-0.1 -1,-0.1 -0.329 31.2-148.6 -73.8 158.8 17.6 -6.0 54.8 531 534 A I - 0 0 20 -156,-0.3 2,-0.3 -2,-0.1 -152,-0.1 -0.773 12.1-158.5-121.4 168.0 20.2 -4.9 52.3 532 535 A D >> - 0 0 70 -2,-0.3 4,-1.2 1,-0.0 3,-0.9 -0.942 34.0-102.1-146.4 168.5 23.4 -2.9 52.8 533 536 A M H 3> S+ 0 0 49 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.711 113.2 68.4 -64.4 -22.1 26.0 -0.7 51.2 534 537 A R H 3> S+ 0 0 206 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.907 102.1 47.7 -63.1 -38.4 28.5 -3.6 51.0 535 538 A Q H <> S+ 0 0 69 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.872 110.3 51.6 -68.2 -37.8 26.1 -5.1 48.4 536 539 A V H X S+ 0 0 5 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.929 109.0 50.1 -64.5 -45.2 25.9 -1.8 46.6 537 540 A E H X S+ 0 0 127 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.876 110.0 51.3 -61.2 -36.5 29.7 -1.6 46.4 538 541 A A H X S+ 0 0 44 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.891 108.4 51.9 -67.2 -39.6 29.9 -5.1 45.1 539 542 A L H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.928 111.8 46.0 -61.3 -47.1 27.3 -4.3 42.4 540 543 A V H >X S+ 0 0 25 -4,-2.4 4,-0.8 1,-0.2 3,-0.6 0.916 112.3 50.2 -63.3 -45.0 29.3 -1.2 41.3 541 544 A E H >< S+ 0 0 121 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.896 110.0 51.0 -61.0 -40.3 32.6 -3.2 41.3 542 545 A A H 3< S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.683 108.2 53.9 -70.9 -18.4 31.0 -5.9 39.2 543 546 A S H << 0 0 20 -4,-0.9 -1,-0.2 -3,-0.6 -208,-0.2 0.576 360.0 360.0 -92.3 -11.7 29.8 -3.3 36.7 544 547 A K << 0 0 162 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.817 360.0 360.0 -73.6 360.0 33.2 -1.8 36.1 545 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 546 602 A X 0 0 43 0, 0.0 -534,-0.6 0, 0.0 -497,-0.1 0.000 360.0 360.0 360.0 360.0 14.3 1.5 19.5