==== 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 3H99 . 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) . 23077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 73.0 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 . 25 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 39.4 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 2 1 1 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 2,-0.1 0.000 360.0 360.0 360.0 -20.2 -14.6 -4.0 31.3 2 5 A K - 0 0 85 282,-0.0 39,-3.0 1,-0.0 2,-0.6 -0.367 360.0-133.7 -76.4 156.8 -12.2 -2.0 29.1 3 6 A K E -a 41 0A 61 280,-0.3 282,-3.1 37,-0.2 2,-0.4 -0.971 31.3-178.8-111.5 121.2 -10.0 -3.5 26.5 4 7 A I E -ab 42 285A 0 37,-3.0 39,-2.5 -2,-0.6 2,-0.5 -0.983 19.4-167.0-130.5 130.7 -6.5 -2.2 26.8 5 8 A L E -ab 43 286A 2 280,-2.9 282,-2.8 -2,-0.4 2,-0.4 -0.972 16.9-176.9-115.2 121.3 -3.3 -2.8 24.7 6 9 A V E +ab 44 287A 0 37,-3.0 39,-2.7 -2,-0.5 2,-0.3 -0.944 5.2 171.4-121.2 140.3 -0.1 -1.6 26.3 7 10 A T E -ab 45 288A 1 280,-1.9 282,-2.9 -2,-0.4 2,-0.3 -0.923 19.1-148.8-139.7 165.0 3.4 -1.6 24.9 8 11 A C E - b 0 289A 0 37,-0.7 282,-0.2 -2,-0.3 39,-0.1 -0.691 49.4 -71.4-119.6 177.8 6.9 -0.3 25.8 9 12 A A - 0 0 10 280,-0.7 38,-0.1 -2,-0.3 -1,-0.1 -0.417 54.2-107.9 -70.5 149.7 9.5 0.7 23.3 10 13 A S - 0 0 0 36,-0.1 38,-0.2 38,-0.1 -1,-0.1 -0.701 34.5-126.3 -82.2 118.9 11.2 -2.3 21.5 11 14 A P - 0 0 2 0, 0.0 38,-3.0 0, 0.0 2,-0.1 -0.360 27.9-104.6 -65.4 141.3 14.7 -2.8 22.7 12 15 A Y B > -e 49 0B 71 534,-0.6 3,-1.0 36,-0.2 38,-0.2 -0.431 22.3-135.1 -66.3 138.9 17.4 -2.9 20.1 13 16 A A T 3 S+ 0 0 1 36,-2.4 60,-0.1 1,-0.2 -1,-0.1 0.477 96.0 66.4 -74.3 -4.1 18.7 -6.4 19.5 14 17 A N T 3 S+ 0 0 58 35,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.253 98.5 53.9-103.2 14.9 22.4 -5.4 19.5 15 18 A G S < S- 0 0 31 -3,-1.0 2,-0.1 3,-0.0 3,-0.1 -0.998 79.6-111.2-148.2 150.6 22.6 -4.4 23.1 16 19 A S - 0 0 28 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 -0.376 42.9 -95.6 -77.5 156.7 21.9 -5.9 26.6 17 20 A I - 0 0 0 -2,-0.1 323,-2.6 -6,-0.1 324,-0.5 -0.542 48.5-177.2 -73.3 132.1 19.1 -4.6 28.8 18 21 A H B > -F 339 0C 44 321,-0.3 4,-2.1 -2,-0.3 3,-0.5 -0.670 45.3 -84.2-122.3 179.6 20.3 -2.0 31.4 19 22 A L H > S+ 0 0 0 319,-2.2 4,-1.4 1,-0.2 320,-0.1 0.753 124.3 60.9 -57.2 -26.4 18.7 -0.1 34.2 20 23 A G H > S+ 0 0 17 318,-0.2 4,-1.1 2,-0.2 3,-0.4 0.941 106.0 44.9 -65.9 -48.1 17.5 2.5 31.8 21 24 A H H > S+ 0 0 43 -3,-0.5 4,-2.1 1,-0.2 3,-0.5 0.924 109.1 59.0 -59.1 -45.3 15.4 0.0 29.9 22 25 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.799 95.6 60.9 -58.0 -32.0 14.1 -1.4 33.2 23 26 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.4 -1,-0.2 0.950 110.1 42.8 -59.5 -46.3 12.7 2.0 34.3 24 27 A E H X S+ 0 0 15 -4,-1.1 4,-2.3 -3,-0.5 -2,-0.2 0.929 116.3 44.9 -65.3 -49.2 10.3 1.9 31.3 25 28 A H H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.863 115.4 48.3 -67.0 -35.0 9.4 -1.8 31.5 26 29 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.923 110.1 51.5 -70.8 -43.8 8.8 -1.6 35.3 27 30 A Q H X S+ 0 0 2 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.942 114.0 44.3 -57.6 -47.5 6.7 1.6 35.0 28 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.904 112.0 52.9 -63.5 -42.6 4.5 -0.1 32.3 29 32 A D H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.890 106.6 51.5 -62.8 -40.9 4.2 -3.3 34.3 30 33 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.946 113.6 45.3 -60.6 -46.1 3.1 -1.6 37.5 31 34 A W H X S+ 0 0 4 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.928 114.1 49.2 -62.2 -46.3 0.3 0.2 35.5 32 35 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.918 110.1 50.0 -60.5 -46.4 -0.6 -3.0 33.6 33 36 A R H X S+ 0 0 64 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.879 110.9 50.4 -63.0 -36.4 -0.8 -5.1 36.8 34 37 A Y H X S+ 0 0 6 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.933 109.0 51.2 -66.0 -44.5 -3.0 -2.4 38.4 35 38 A Q H <>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 3,-0.3 0.896 110.0 49.5 -59.7 -40.2 -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 0.889 105.8 57.5 -66.3 -36.9 -5.7 -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 0.801 102.3 55.5 -62.8 -28.1 -6.5 -5.9 39.2 38 41 A R T 3<5S- 0 0 99 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.337 123.6-104.5 -87.8 8.3 -9.4 -3.6 38.3 39 42 A G T < 5 + 0 0 57 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.530 69.5 143.6 87.4 8.4 -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 -0.380 58.3-109.3 -81.7 158.3 -10.0 -4.9 32.6 41 44 A E E -a 3 0A 80 -39,-3.0 -37,-3.0 -2,-0.1 2,-0.4 -0.798 48.1-175.4 -84.8 113.8 -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 -0.936 22.6-171.2-120.5 138.9 -5.3 -6.1 29.2 43 46 A N E -a 5 0A 4 -39,-2.5 -37,-3.0 -2,-0.4 2,-0.6 -0.967 8.1-172.3-127.6 110.3 -2.8 -7.1 26.5 44 47 A F E +a 6 0A 0 -2,-0.5 45,-3.6 43,-0.3 46,-1.1 -0.920 19.9 165.2-105.7 113.7 0.8 -6.1 27.4 45 48 A I E +ac 7 90A 0 -39,-2.7 -37,-0.7 -2,-0.6 2,-0.3 -0.919 14.9 161.8-135.5 161.0 3.2 -6.7 24.5 46 49 A C E - c 0 91A 0 44,-1.8 46,-2.4 -2,-0.3 2,-0.3 -0.886 12.4-159.9-156.0-177.4 6.6 -6.0 23.2 47 50 A A E - c 0 92A 0 44,-0.3 2,-0.3 -2,-0.3 46,-0.3 -0.963 30.0 -98.0-167.4 159.4 9.2 -7.1 20.7 48 51 A D E - c 0 93A 2 44,-1.7 46,-2.4 -2,-0.3 2,-1.1 -0.707 31.2-130.1 -86.7 138.8 12.9 -6.9 20.0 49 52 A D B +e 12 0B 0 -38,-3.0 -36,-2.4 -2,-0.3 -35,-0.2 -0.805 41.1 166.0 -90.1 99.0 13.9 -4.2 17.4 50 53 A A + 0 0 0 -2,-1.1 2,-0.2 -38,-0.2 -1,-0.1 0.354 32.3 87.9-104.2 5.2 16.1 -6.5 15.2 51 54 A H + 0 0 5 198,-0.1 185,-0.2 4,-0.1 4,-0.2 -0.496 49.2 74.5-102.7 171.1 16.7 -4.8 11.9 52 55 A G S > S- 0 0 2 183,-2.6 4,-2.2 -2,-0.2 5,-0.1 -0.335 78.7 -73.6 119.6 163.1 19.3 -2.3 10.6 53 56 A T H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.907 121.3 55.4 -63.0 -44.9 22.9 -1.7 9.4 54 57 A P H > S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.928 111.3 45.2 -56.6 -43.2 24.5 -1.9 12.9 55 58 A I H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.919 111.4 52.3 -66.0 -43.2 22.9 -5.4 13.4 56 59 A M H X S+ 0 0 13 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.943 113.8 43.9 -57.8 -48.0 23.9 -6.6 10.0 57 60 A L H X S+ 0 0 5 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.876 110.5 54.0 -66.7 -38.7 27.5 -5.5 10.5 58 61 A K H X S+ 0 0 68 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.925 109.0 49.0 -62.8 -43.4 27.7 -6.9 14.1 59 62 A A H X>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 4,-0.9 0.906 109.5 51.9 -62.8 -41.7 26.6 -10.4 12.9 60 63 A Q H ><5S+ 0 0 90 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.917 109.3 50.5 -61.2 -41.5 29.2 -10.3 10.1 61 64 A Q H 3<5S+ 0 0 158 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.866 110.8 48.7 -63.7 -37.3 31.9 -9.5 12.6 62 65 A L H 3<5S- 0 0 96 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.581 110.3-124.1 -79.3 -10.7 30.8 -12.4 14.8 63 66 A G T <<5S+ 0 0 67 -4,-0.9 2,-0.3 -3,-0.7 -3,-0.2 0.757 74.3 107.5 73.8 24.4 30.7 -14.8 11.9 64 67 A I S - 0 0 73 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.400 32.7-121.9 -72.5 151.4 23.9 -15.1 10.6 66 69 A P H > S+ 0 0 28 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.879 114.3 59.9 -62.3 -32.0 21.9 -12.0 11.8 67 70 A E H > S+ 0 0 100 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.914 106.7 44.9 -60.1 -44.0 19.0 -14.4 12.4 68 71 A Q H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.943 114.4 49.3 -65.8 -46.1 21.1 -16.4 14.9 69 72 A M H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 112.1 45.4 -60.2 -48.6 22.5 -13.3 16.6 70 73 A I H X S+ 0 0 13 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.826 109.9 56.8 -67.6 -28.3 19.1 -11.6 17.1 71 74 A G H X S+ 0 0 34 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.920 107.7 47.8 -67.0 -41.1 17.6 -14.9 18.3 72 75 A E H X S+ 0 0 112 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.912 113.7 45.5 -66.4 -43.1 20.3 -15.1 21.1 73 76 A M H X S+ 0 0 22 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.853 108.3 58.1 -70.4 -31.8 19.8 -11.5 22.2 74 77 A S H X S+ 0 0 20 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.943 108.5 46.0 -60.1 -46.7 16.0 -12.0 22.1 75 78 A Q H X S+ 0 0 121 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.899 112.2 50.8 -63.2 -41.1 16.4 -14.8 24.6 76 79 A E H X S+ 0 0 68 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.940 111.7 47.8 -62.0 -46.7 18.8 -12.8 26.8 77 80 A H H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.933 112.2 48.6 -58.9 -48.6 16.3 -9.9 26.8 78 81 A Q H X S+ 0 0 64 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.838 108.0 54.8 -63.7 -33.0 13.4 -12.1 27.7 79 82 A T H X S+ 0 0 92 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.928 110.8 46.2 -65.6 -43.3 15.3 -13.8 30.5 80 83 A D H X S+ 0 0 9 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.934 113.5 47.3 -64.5 -47.6 16.1 -10.4 32.0 81 84 A F H <>S+ 0 0 3 -4,-2.6 5,-2.4 1,-0.2 3,-0.4 0.882 112.1 50.6 -62.6 -37.4 12.5 -9.1 31.7 82 85 A A H ><5S+ 0 0 63 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.890 105.4 57.7 -66.5 -36.9 11.2 -12.4 33.2 83 86 A G H 3<5S+ 0 0 29 -4,-2.0 266,-0.3 1,-0.3 -1,-0.2 0.767 108.7 45.2 -63.7 -26.2 13.7 -11.9 36.0 84 87 A F T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.285 116.1-117.4 -98.7 8.4 12.0 -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 0.869 46.8 172.7 58.1 42.2 8.6 -10.1 36.5 86 89 A I < - 0 0 12 -5,-2.4 2,-1.9 1,-0.1 -1,-0.2 -0.755 29.6-140.1 -81.6 111.1 7.5 -7.9 33.6 87 90 A S + 0 0 22 -2,-0.9 -43,-0.3 -3,-0.1 -1,-0.1 -0.225 31.2 173.1 -75.3 50.6 4.2 -9.6 32.8 88 91 A Y - 0 0 37 -2,-1.9 -43,-0.2 1,-0.2 3,-0.2 -0.284 28.1-157.9 -61.0 137.7 4.2 -9.6 29.0 89 92 A D S S+ 0 0 51 -45,-3.6 2,-0.3 1,-0.3 -44,-0.2 0.679 84.4 6.3 -85.9 -21.3 1.4 -11.4 27.3 90 93 A N E -c 45 0A 11 -46,-1.1 -44,-1.8 2,-0.0 2,-0.4 -0.942 56.2-169.4-162.3 138.9 3.6 -11.7 24.2 91 94 A Y E +c 46 0A 25 -2,-0.3 -44,-0.3 -46,-0.2 2,-0.1 -0.959 29.3 157.2-131.2 110.5 7.2 -10.8 23.3 92 95 A H E -c 47 0A 34 -46,-2.4 -44,-1.7 -2,-0.4 2,-0.3 -0.116 33.8-104.2-114.6-151.2 7.9 -11.1 19.6 93 96 A S E -c 48 0A 22 -46,-0.3 6,-0.3 163,-0.1 -44,-0.2 -0.993 12.9-132.9-144.6 148.6 10.3 -9.6 17.0 94 97 A T S S+ 0 0 0 -46,-2.4 2,-1.3 -2,-0.3 -45,-0.1 0.716 104.4 72.8 -71.4 -19.0 10.3 -7.0 14.4 95 98 A H S S+ 0 0 47 -47,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.703 80.1 108.4 -95.2 82.9 11.9 -9.7 12.2 96 99 A S S > S- 0 0 17 -2,-1.3 4,-2.1 1,-0.1 5,-0.1 -0.968 80.6-111.5-151.5 162.0 8.8 -11.8 11.8 97 100 A E H > S+ 0 0 104 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.869 116.5 57.2 -65.6 -36.9 6.3 -12.8 9.1 98 101 A E H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 110.8 42.1 -60.7 -45.8 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 0.854 111.5 55.8 -71.4 -32.4 5.7 -7.6 10.8 100 103 A R H X S+ 0 0 69 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.961 112.1 42.4 -62.7 -48.7 6.7 -8.3 7.2 101 104 A Q H X S+ 0 0 99 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.905 117.2 46.0 -65.4 -41.5 3.1 -8.5 6.0 102 105 A L H X S+ 0 0 10 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.875 112.5 51.0 -70.3 -35.3 1.9 -5.6 8.1 103 106 A S H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.930 113.3 44.8 -66.8 -43.5 4.9 -3.4 7.0 104 107 A E H X S+ 0 0 71 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.897 113.7 51.7 -66.0 -38.8 4.2 -4.2 3.4 105 108 A L H X S+ 0 0 60 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.946 112.2 43.9 -62.5 -50.2 0.5 -3.6 3.9 106 109 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.921 114.7 49.6 -63.7 -43.2 0.9 -0.2 5.5 107 110 A Y H X S+ 0 0 11 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.934 110.9 50.3 -60.7 -45.7 3.5 0.9 2.9 108 111 A S H X S+ 0 0 57 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.893 112.3 46.8 -60.0 -41.7 1.2 -0.2 0.1 109 112 A R H X S+ 0 0 73 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.902 111.9 50.2 -68.2 -41.1 -1.7 1.7 1.6 110 113 A L H <>S+ 0 0 2 -4,-2.6 5,-2.8 2,-0.2 6,-0.4 0.914 112.4 48.2 -62.9 -41.4 0.4 4.8 2.1 111 114 A K H ><5S+ 0 0 117 -4,-2.7 3,-1.6 1,-0.2 5,-0.3 0.927 110.8 49.4 -65.4 -45.4 1.7 4.6 -1.5 112 115 A E H 3<5S+ 0 0 172 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 109.2 53.8 -63.2 -31.7 -1.8 4.2 -2.9 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118.9 74.6 25.8 30.5 1.1 37.5 336 339 A T < + 0 0 8 -5,-2.8 2,-1.4 -7,-0.1 -4,-0.2 0.408 42.4 95.0-102.2 -0.9 27.1 2.8 37.4 337 340 A F - 0 0 58 -6,-0.9 2,-0.5 -7,-0.2 -1,-0.1 -0.790 68.4-173.1 -88.4 95.5 26.3 1.6 33.9 338 341 A I - 0 0 0 -2,-1.4 -319,-2.2 4,-0.0 -318,-0.2 -0.836 19.4-142.4-105.4 127.8 24.4 -1.4 35.3 339 342 A K B > -F 18 0C 74 -2,-0.5 4,-2.4 -321,-0.2 -321,-0.3 -0.521 20.6-125.3 -81.4 149.6 22.9 -4.3 33.3 340 343 A A H > S+ 0 0 0 -323,-2.6 4,-1.6 1,-0.2 -322,-0.1 0.886 112.7 52.5 -61.1 -39.2 19.6 -5.8 34.3 341 344 A S H > S+ 0 0 44 -324,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.896 109.3 48.8 -64.9 -40.3 21.3 -9.3 34.5 342 345 A T H >> S+ 0 0 24 1,-0.2 3,-1.7 2,-0.2 4,-0.7 0.932 105.6 58.4 -65.1 -44.8 24.0 -8.0 36.8 343 346 A W H >X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.3 3,-1.6 0.902 100.7 55.8 -50.2 -48.1 21.5 -6.3 39.1 344 347 A L H 3< S+ 0 0 55 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.653 97.2 63.4 -63.9 -16.1 19.7 -9.6 39.8 345 348 A N H << S+ 0 0 131 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.745 118.1 27.3 -77.5 -22.1 22.9 -11.2 40.9 346 349 A H H << S+ 0 0 49 -3,-1.6 2,-0.3 -4,-0.7 -2,-0.2 0.772 128.3 18.2-107.4 -39.2 23.0 -8.7 43.8 347 350 A F S < S- 0 0 13 -4,-2.8 -1,-0.2 184,-0.0 2,-0.1 -0.856 76.2-104.3-132.5 167.6 19.5 -7.7 44.5 348 351 A D > - 0 0 58 -2,-0.3 4,-0.8 1,-0.1 3,-0.1 -0.351 32.7-112.8 -85.3 172.0 15.9 -8.9 43.9 349 352 A A H > S+ 0 0 8 -266,-0.3 4,-2.5 1,-0.2 3,-0.4 0.889 110.4 63.3 -72.3 -39.7 13.6 -7.4 41.3 350 353 A D H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.841 95.7 59.3 -54.3 -38.8 11.2 -6.0 43.9 351 354 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 111.7 38.5 -59.1 -46.9 13.7 -3.7 45.4 352 355 A L H X S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.4 5,-0.3 0.894 114.5 54.9 -71.4 -40.1 14.3 -1.8 42.1 353 356 A R H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.936 111.7 45.3 -57.5 -46.0 10.7 -2.0 41.2 354 357 A Y H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.942 112.7 49.1 -63.4 -48.8 9.8 -0.3 44.5 355 358 A Y H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.932 113.7 45.2 -58.9 -48.3 12.5 2.3 44.3 356 359 A Y H >X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 3,-0.8 0.937 113.2 51.1 -60.1 -46.5 11.6 3.4 40.8 357 360 A T H 3< S+ 0 0 0 -4,-2.3 81,-0.2 -5,-0.3 -1,-0.2 0.878 105.5 55.4 -59.6 -38.8 7.9 3.4 41.6 358 361 A A H 3< S+ 0 0 8 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.770 115.8 38.8 -65.7 -24.8 8.5 5.6 44.7 359 362 A K H << S+ 0 0 63 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.641 95.6 102.1 -98.8 -19.7 10.2 8.2 42.5 360 363 A L < + 0 0 5 -4,-1.8 75,-2.6 -5,-0.1 2,-0.2 -0.287 40.9 163.6 -71.0 151.4 8.0 8.0 39.4 361 364 A S - 0 0 36 2,-0.3 72,-0.2 73,-0.2 -2,-0.0 -0.807 54.2 -86.3-148.0-172.4 5.3 10.5 38.4 362 365 A S S S+ 0 0 33 -2,-0.2 -43,-0.2 -42,-0.0 2,-0.1 0.430 99.4 87.9 -84.9 0.7 3.2 11.6 35.5 363 366 A R S S- 0 0 108 69,-0.1 -2,-0.3 -155,-0.1 -42,-0.3 -0.394 82.5-122.0 -93.9 174.0 6.0 14.0 34.3 364 367 A I + 0 0 26 -44,-0.2 -42,-0.2 -2,-0.1 -72,-0.2 0.238 63.2 133.5-100.9 13.9 8.9 13.3 32.0 365 368 A D - 0 0 82 -44,-0.2 -44,-0.9 1,-0.1 -4,-0.2 -0.241 65.0 -92.0 -63.9 151.2 11.6 14.3 34.5 366 369 A D - 0 0 72 -45,-0.2 2,-0.5 -46,-0.1 -43,-0.2 -0.245 34.3-133.2 -63.6 151.8 14.7 12.0 35.0 367 370 A I E -p 323 0I 12 -45,-2.9 -43,-2.4 -3,-0.1 2,-0.5 -0.942 16.5-148.2-111.4 123.8 14.6 9.4 37.7 368 371 A D E -p 324 0I 41 -2,-0.5 2,-1.1 -45,-0.2 -43,-0.2 -0.816 8.5-160.1-100.0 124.6 17.6 9.1 40.0 369 372 A L E -p 325 0I 0 -45,-3.1 -43,-2.0 -2,-0.5 2,-0.8 -0.823 14.5-173.0 -97.8 92.2 18.8 5.8 41.5 370 373 A N > - 0 0 55 -2,-1.1 4,-2.4 -45,-0.2 5,-0.1 -0.824 13.6-152.2 -87.8 114.1 20.9 7.1 44.4 371 374 A L H > S+ 0 0 4 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.839 92.1 50.2 -58.7 -38.7 22.4 3.9 45.7 372 375 A E H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 114.7 45.5 -65.4 -43.1 22.8 5.1 49.3 373 376 A D H > S+ 0 0 47 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.838 106.2 61.2 -67.4 -33.7 19.2 6.2 49.3 374 377 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.936 107.1 44.3 -58.2 -48.3 18.2 2.9 47.7 375 378 A V H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 156,-0.3 0.944 116.9 46.0 -62.2 -48.5 19.5 1.0 50.7 376 379 A Q H X S+ 0 0 122 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.926 115.6 45.1 -60.5 -47.8 17.9 3.4 53.2 377 380 A R H X>S+ 0 0 69 -4,-3.5 4,-2.8 2,-0.2 5,-0.6 0.888 112.4 48.9 -67.4 -43.3 14.5 3.5 51.5 378 381 A V H X>S+ 0 0 0 -4,-2.4 5,-1.5 -5,-0.3 4,-1.4 0.942 116.5 43.5 -63.5 -45.4 14.1 -0.2 50.8 379 382 A N H <>S+ 0 0 5 -4,-2.0 5,-2.3 -5,-0.3 -2,-0.2 0.915 118.5 44.1 -66.0 -42.5 15.0 -1.0 54.4 380 383 A A H <5S+ 0 0 41 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.926 125.3 28.7 -69.2 -46.3 12.9 1.7 55.9 381 384 A D H X>S+ 0 0 19 -4,-2.8 5,-2.4 -5,-0.2 4,-0.6 0.932 129.5 30.3 -84.0 -51.3 9.8 1.3 53.8 382 385 A I I > S+ 0 0 37 -5,-0.4 4,-2.3 -6,-0.4 -1,-0.3 0.835 88.3 63.0 -55.7 -35.0 7.1 -5.2 59.8 389 392 A L H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.5 4,-0.2 0.814 113.1 34.3 -62.1 -30.2 3.3 -5.4 60.2 390 393 A A H X> S+ 0 0 0 -3,-1.4 4,-2.8 -4,-0.5 3,-0.8 0.900 117.7 51.1 -88.5 -48.9 3.4 -9.1 59.4 391 394 A S H 3< S+ 0 0 61 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.754 110.9 47.4 -62.1 -28.6 6.8 -10.0 60.9 392 395 A R T 3< S+ 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 4,-0.2 0.660 122.8 33.3 -88.6 -14.1 6.1 -8.5 64.3 393 396 A N T <> S+ 0 0 0 -3,-0.8 4,-1.4 -5,-0.3 -2,-0.2 0.692 99.9 72.6-112.1 -26.8 2.6 -10.1 64.6 394 397 A A H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.858 90.4 60.8 -61.6 -39.6 2.8 -13.5 62.9 395 398 A G H > S+ 0 0 31 -4,-0.4 4,-3.0 -5,-0.2 5,-0.3 0.931 105.2 45.9 -54.9 -51.7 4.9 -15.3 65.5 396 399 A F H >>S+ 0 0 61 -4,-0.2 4,-2.6 1,-0.2 5,-0.6 0.899 113.2 51.0 -59.8 -42.4 2.4 -14.8 68.3 397 400 A I H X5S+ 0 0 0 -4,-1.4 6,-2.6 3,-0.2 4,-1.3 0.942 115.8 40.7 -61.8 -47.1 -0.5 -15.9 66.1 398 401 A N H <5S+ 0 0 34 -4,-2.7 4,-0.4 4,-0.2 -2,-0.2 0.899 123.0 38.3 -70.1 -40.4 1.3 -19.1 65.0 399 402 A K H <5S+ 0 0 173 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.862 130.1 23.8 -81.6 -36.9 2.8 -20.0 68.4 400 403 A R H <5S+ 0 0 87 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.609 129.7 36.2-106.8 -12.5 -0.0 -19.1 70.8 401 404 A F S >< + 0 0 46 1,-0.1 4,-2.0 62,-0.1 -1,-0.3 -0.687 66.0 171.5-136.2 80.2 -10.3 -1.5 65.6 412 415 A P H > S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.841 80.5 58.4 -56.4 -37.2 -12.9 -1.3 62.8 413 416 A Q H > S+ 0 0 157 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.927 107.3 45.4 -61.2 -46.2 -12.6 2.4 62.6 414 417 A L H > S+ 0 0 27 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.893 110.9 54.1 -65.6 -38.9 -8.9 2.2 61.8 415 418 A Y H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.916 106.4 52.2 -61.5 -41.4 -9.6 -0.6 59.3 416 419 A K H X S+ 0 0 122 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.867 103.1 58.0 -63.3 -36.1 -12.1 1.7 57.5 417 420 A T H X S+ 0 0 64 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.908 109.2 46.8 -59.7 -39.2 -9.5 4.4 57.3 418 421 A F H >< S+ 0 0 0 -4,-1.6 3,-0.6 1,-0.2 -2,-0.2 0.924 115.6 42.2 -69.5 -45.2 -7.3 2.0 55.4 419 422 A T H >< S+ 0 0 12 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.811 106.2 63.2 -73.7 -27.7 -10.0 0.7 53.0 420 423 A D H >< S+ 0 0 94 -4,-2.8 3,-0.6 1,-0.3 4,-0.4 0.764 94.7 64.3 -64.9 -24.4 -11.4 4.2 52.4 421 424 A A T S+ 0 0 13 -3,-1.4 4,-2.9 1,-0.2 5,-0.3 0.879 82.5 54.7 -53.7 -43.5 -8.5 2.7 48.0 423 426 A E H <> S+ 0 0 143 -3,-0.6 4,-2.2 -4,-0.3 -1,-0.2 0.948 112.4 40.4 -57.8 -53.6 -10.1 5.3 45.8 424 427 A V H > S+ 0 0 48 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.874 117.2 49.1 -65.6 -38.2 -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 -2,-0.2 0.928 111.8 48.4 -68.4 -42.9 -4.6 5.2 45.8 426 429 A G H X S+ 0 0 1 -4,-2.9 4,-2.9 -5,-0.3 -2,-0.2 0.895 109.3 53.4 -63.1 -39.2 -6.2 3.5 42.8 427 430 A E H X S+ 0 0 111 -4,-2.2 4,-2.3 -5,-0.3 6,-0.3 0.849 107.6 52.2 -64.0 -32.7 -6.6 6.9 41.1 428 431 A A H <>S+ 0 0 3 -4,-1.5 5,-2.2 2,-0.2 4,-0.4 0.907 110.8 45.5 -70.8 -42.3 -2.9 7.5 41.6 429 432 A W H ><5S+ 0 0 0 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.958 113.9 51.6 -62.6 -47.6 -1.9 4.2 40.0 430 433 A E H 3<5S+ 0 0 64 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.886 112.4 43.6 -53.6 -47.1 -4.3 5.0 37.2 431 434 A S T 3<5S- 0 0 50 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.390 114.1-115.6 -82.9 2.3 -2.9 8.5 36.5 432 435 A R T < 5S+ 0 0 22 -3,-1.4 2,-1.8 -4,-0.4 3,-0.3 0.680 71.0 140.6 70.0 19.1 0.7 7.2 36.8 433 436 A E >< + 0 0 59 -5,-2.2 4,-2.0 -6,-0.3 3,-0.2 -0.501 18.1 159.4 -88.9 65.2 1.3 9.3 39.9 434 437 A F H > + 0 0 0 -2,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.874 65.8 55.2 -58.0 -43.5 3.2 6.4 41.4 435 438 A G H > S+ 0 0 3 -75,-2.6 4,-2.3 -3,-0.3 -1,-0.2 0.884 108.5 49.6 -59.3 -38.8 5.1 8.6 43.9 436 439 A K H > S+ 0 0 92 -3,-0.2 4,-2.3 -76,-0.2 -1,-0.2 0.910 109.8 50.9 -66.2 -42.9 1.9 9.9 45.2 437 440 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.935 111.4 47.6 -60.4 -47.3 0.5 6.3 45.6 438 441 A V H X S+ 0 0 6 -4,-2.6 4,-2.9 -81,-0.2 5,-0.2 0.909 110.5 51.8 -62.3 -41.8 3.5 5.2 47.4 439 442 A R H X S+ 0 0 167 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.909 111.2 47.7 -61.8 -40.6 3.4 8.2 49.8 440 443 A E H X S+ 0 0 63 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.931 113.3 47.9 -64.5 -45.4 -0.2 7.5 50.6 441 444 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.916 112.8 47.5 -62.4 -44.0 0.5 3.8 51.2 442 445 A M H X S+ 0 0 10 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.818 107.2 56.4 -69.6 -29.2 3.5 4.5 53.4 443 446 A A H X 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