==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 02-MAR-09 3A04 . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR W.TSUCHIYA,Z.FUJIMOTO,T.HASEGAWA . 367 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 2 2 2 2 2 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A L 0 0 128 0, 0.0 319,-0.1 0, 0.0 318,-0.0 0.000 360.0 360.0 360.0 65.0 -20.8 -6.5 18.4 2 7 A D + 0 0 51 1,-0.2 3,-0.1 317,-0.1 5,-0.0 -0.698 360.0 159.9-112.2 76.6 -23.2 -7.3 15.6 3 8 A P S S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 41,-0.0 0.903 79.4 45.1 -68.7 -38.4 -22.0 -10.1 13.3 4 9 A W S S- 0 0 68 39,-0.1 -2,-0.1 42,-0.0 312,-0.0 0.708 103.5-128.5 -74.9 -25.5 -25.5 -11.0 11.8 5 10 A G + 0 0 4 -3,-0.1 3,-0.2 2,-0.0 4,-0.2 0.990 41.1 167.2 70.9 62.3 -26.5 -7.4 11.2 6 11 A A S >> S+ 0 0 39 1,-0.2 3,-1.5 2,-0.1 4,-1.1 0.887 73.3 59.1 -67.5 -41.8 -30.0 -7.2 12.8 7 12 A V T 34 S+ 0 0 105 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.632 96.1 62.3 -66.2 -17.6 -30.1 -3.3 12.6 8 13 A E T 34 S+ 0 0 73 -3,-0.2 -1,-0.3 1,-0.1 4,-0.2 0.631 108.4 42.1 -80.2 -15.2 -29.8 -3.4 8.8 9 14 A I T <> S+ 0 0 20 -3,-1.5 4,-1.4 -4,-0.2 3,-0.4 0.686 99.6 66.0-107.0 -27.3 -33.1 -5.2 8.4 10 15 A K T < S+ 0 0 139 -4,-1.1 4,-0.5 1,-0.2 -2,-0.1 0.699 93.3 68.6 -64.2 -21.5 -35.4 -3.5 11.0 11 16 A D T 4 S+ 0 0 105 -4,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.877 114.6 18.8 -71.9 -40.4 -35.1 -0.4 8.8 12 17 A Y T > S+ 0 0 65 -3,-0.4 4,-2.6 -4,-0.2 5,-0.2 0.519 102.2 84.3-112.7 -8.1 -37.1 -1.6 5.8 13 18 A D H X S+ 0 0 15 -4,-1.4 4,-0.7 1,-0.2 -2,-0.1 0.750 90.4 59.6 -62.9 -22.5 -39.0 -4.5 7.3 14 19 A R H >> S+ 0 0 191 -4,-0.5 3,-0.8 2,-0.2 4,-0.6 0.952 107.2 42.6 -63.0 -54.4 -41.4 -1.7 8.3 15 20 A L H >4 S+ 0 0 108 -4,-0.3 3,-1.3 1,-0.2 4,-0.3 0.916 110.6 54.6 -63.7 -42.3 -42.0 -0.7 4.7 16 21 A L H ><>S+ 0 0 18 -4,-2.6 5,-1.8 1,-0.2 3,-1.6 0.740 92.4 73.7 -63.7 -19.6 -42.3 -4.3 3.4 17 22 A R H X<5S+ 0 0 118 -3,-0.8 3,-1.8 -4,-0.7 -1,-0.2 0.807 82.6 70.6 -64.9 -27.8 -45.0 -4.9 6.0 18 23 A T T <<5S+ 0 0 111 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.812 100.8 45.5 -48.3 -34.4 -47.2 -2.8 3.8 19 24 A F T < 5S- 0 0 74 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.246 126.5-101.8-102.3 11.4 -47.1 -5.8 1.4 20 25 A G T < 5S+ 0 0 36 -3,-1.8 2,-0.6 1,-0.3 32,-0.2 0.673 72.2 149.3 78.6 16.4 -47.8 -8.3 4.1 21 26 A I < - 0 0 1 -5,-1.8 -1,-0.3 30,-0.1 30,-0.2 -0.767 27.8-164.0 -82.8 126.2 -44.2 -9.4 4.3 22 27 A R E -A 50 0A 77 28,-3.1 28,-1.9 -2,-0.6 2,-0.1 -0.669 28.9 -86.0-107.4 158.5 -43.3 -10.5 7.9 23 28 A P E > -A 49 0A 18 0, 0.0 3,-1.4 0, 0.0 26,-0.3 -0.426 37.1-130.2 -58.1 136.1 -40.1 -11.1 9.9 24 29 A F G > S+ 0 0 10 24,-2.1 3,-2.0 1,-0.2 4,-0.2 0.768 100.6 74.7 -57.7 -32.2 -38.9 -14.6 9.2 25 30 A S G > S+ 0 0 72 23,-0.3 3,-2.1 1,-0.3 -1,-0.2 0.828 79.2 73.4 -56.7 -24.2 -38.5 -15.2 13.0 26 31 A E G < S+ 0 0 91 -3,-1.4 4,-0.4 1,-0.3 -1,-0.3 0.763 94.4 54.1 -64.5 -17.9 -42.4 -15.5 13.3 27 32 A V G <> S+ 0 0 1 -3,-2.0 4,-3.1 -4,-0.2 -1,-0.3 0.508 77.9 98.7 -94.3 2.2 -42.3 -18.9 11.7 28 33 A L H <> S+ 0 0 69 -3,-2.1 4,-2.8 -4,-0.2 -1,-0.2 0.918 84.0 46.9 -53.6 -46.5 -39.7 -20.4 14.0 29 34 A P H > S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.917 114.6 47.5 -68.0 -36.9 -42.2 -22.2 16.2 30 35 A L H > S+ 0 0 28 -4,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.914 107.6 56.8 -65.3 -39.0 -44.0 -23.5 13.0 31 36 A L H <>S+ 0 0 1 -4,-3.1 5,-1.9 1,-0.2 -1,-0.2 0.968 109.1 46.6 -56.5 -52.2 -40.6 -24.6 11.7 32 37 A R H ><5S+ 0 0 175 -4,-2.8 3,-2.7 3,-0.2 -2,-0.2 0.936 109.3 52.2 -47.0 -53.3 -40.1 -26.7 14.8 33 38 A K H 3<5S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.891 105.9 56.3 -61.9 -33.6 -43.5 -28.2 14.7 34 39 A A T 3<5S- 0 0 16 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.477 120.8-112.4 -74.5 3.2 -42.8 -29.2 11.1 35 40 A G T < 5S+ 0 0 65 -3,-2.7 2,-0.4 1,-0.3 -3,-0.2 0.837 75.3 129.0 74.9 34.1 -39.6 -31.1 12.4 36 41 A M < - 0 0 2 -5,-1.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.941 47.8-150.1-127.6 137.6 -37.2 -28.6 10.7 37 42 A E - 0 0 130 -2,-0.4 -9,-0.0 -3,-0.1 0, 0.0 -0.885 38.4 -97.1-103.7 144.3 -34.2 -26.7 12.1 38 43 A P - 0 0 35 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.261 36.4-123.5 -60.7 145.6 -33.4 -23.3 10.5 39 44 A S >> - 0 0 19 1,-0.1 4,-2.6 49,-0.0 3,-0.5 -0.307 32.0-100.6 -71.9 167.5 -30.6 -23.3 7.9 40 45 A F H 3> S+ 0 0 45 1,-0.3 4,-2.4 2,-0.2 6,-0.3 0.845 124.0 58.2 -65.3 -29.2 -27.7 -21.0 8.4 41 46 A L H 34>S+ 0 0 7 2,-0.2 6,-2.1 1,-0.2 5,-1.8 0.832 109.0 46.4 -65.4 -34.4 -29.0 -18.5 6.0 42 47 A M H X45S+ 0 0 19 -3,-0.5 3,-2.1 4,-0.2 -2,-0.2 0.961 111.9 50.6 -68.5 -51.0 -32.2 -18.3 8.3 43 48 A R H 3<5S+ 0 0 109 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.859 110.9 49.4 -52.3 -40.4 -30.0 -18.1 11.5 44 49 A R T 3<5S- 0 0 2 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.446 111.8-119.2 -82.2 -0.5 -28.0 -15.2 10.0 45 50 A G T < 5S+ 0 0 17 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.684 80.5 124.2 71.4 17.7 -31.0 -13.3 8.9 46 51 A I S S+ 0 0 37 -2,-0.4 4,-1.2 -32,-0.2 3,-0.5 0.536 88.3 129.4 69.3 6.7 -47.7 -17.0 4.1 53 58 A F H > + 0 0 1 185,-0.4 4,-2.4 1,-0.2 5,-0.2 0.811 68.1 66.3 -62.8 -27.1 -44.8 -19.6 4.7 54 59 A D H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.946 97.1 51.9 -51.3 -46.5 -46.7 -20.4 8.0 55 60 A K H > S+ 0 0 57 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.891 109.6 51.1 -60.2 -37.5 -49.6 -21.8 5.9 56 61 A I H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.936 111.0 45.4 -63.8 -46.8 -47.0 -24.0 4.1 57 62 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.873 110.1 56.3 -69.5 -33.7 -45.5 -25.3 7.3 58 63 A E H X S+ 0 0 91 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.956 109.7 46.0 -62.2 -49.3 -49.0 -25.9 8.7 59 64 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.4 0.947 112.5 50.7 -56.5 -46.6 -49.8 -28.1 5.7 60 65 A K H ><5S+ 0 0 46 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.888 106.1 54.6 -58.2 -45.6 -46.5 -29.9 6.0 61 66 A A H 3<5S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.804 105.0 52.9 -60.8 -28.5 -47.0 -30.7 9.7 62 67 A R T 3<5S- 0 0 166 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.481 129.0 -98.5 -90.0 2.5 -50.4 -32.4 9.1 63 68 A G T < 5S+ 0 0 65 -3,-1.3 -3,-0.2 -4,-0.4 2,-0.2 0.501 73.8 143.9 106.2 8.1 -48.6 -34.5 6.5 64 69 A E < - 0 0 74 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.522 56.8-113.7 -76.1 144.5 -49.4 -32.8 3.1 65 70 A R - 0 0 108 -2,-0.2 139,-0.4 32,-0.1 2,-0.2 -0.719 40.3-163.2 -77.5 129.3 -46.5 -32.9 0.5 66 71 A V - 0 0 1 -2,-0.4 32,-2.7 30,-0.3 2,-0.3 -0.746 0.8-148.4-113.0 162.7 -45.4 -29.2 0.1 67 72 A A E -cd 98 205A 0 137,-2.2 139,-2.2 30,-0.3 2,-0.4 -0.888 12.4-154.0-134.9 157.0 -43.3 -27.6 -2.8 68 73 A V E -cd 99 206A 0 30,-2.6 32,-2.5 -2,-0.3 2,-0.4 -0.985 18.7-172.0-127.3 145.7 -40.9 -24.9 -3.6 69 74 A L E +c 100 0A 3 137,-1.9 2,-0.3 -2,-0.4 32,-0.2 -0.992 11.1 160.6-135.5 138.3 -40.5 -23.5 -7.1 70 75 A T E -c 101 0A 16 30,-1.7 32,-3.0 -2,-0.4 2,-0.3 -0.978 23.1-136.6-147.0 168.8 -38.1 -21.1 -8.7 71 76 A G E -c 102 0A 41 -2,-0.3 2,-0.4 30,-0.2 32,-0.2 -0.929 7.3-156.4-123.3 156.0 -37.0 -20.2 -12.2 72 77 A F E -c 103 0A 10 30,-2.5 32,-3.0 -2,-0.3 55,-0.0 -0.985 16.8-134.8-131.4 134.6 -33.6 -19.5 -13.9 73 78 A M - 0 0 33 -2,-0.4 2,-2.0 30,-0.2 32,-0.1 -0.792 23.0-136.0 -79.6 117.7 -32.9 -17.5 -17.0 74 79 A P + 0 0 1 0, 0.0 2,-0.4 0, 0.0 49,-0.2 -0.500 64.6 115.0 -83.3 73.4 -30.5 -19.6 -19.2 75 80 A S - 0 0 41 -2,-2.0 179,-0.1 47,-0.1 -2,-0.1 -0.995 68.7 -12.2-139.4 132.5 -28.1 -16.8 -20.0 76 81 A G S S- 0 0 29 -2,-0.4 2,-0.2 178,-0.1 179,-0.0 -0.070 97.8 -36.6 70.6-172.1 -24.4 -16.4 -19.0 77 82 A K - 0 0 87 1,-0.1 2,-0.4 177,-0.1 177,-0.1 -0.582 58.9-102.9 -98.7 156.4 -22.6 -18.4 -16.4 78 83 A F + 0 0 0 -2,-0.2 185,-2.5 48,-0.1 186,-0.4 -0.551 50.2 175.4 -73.6 128.1 -23.8 -19.8 -13.1 79 84 A H B > -G 262 0B 16 -2,-0.4 4,-2.2 183,-0.3 3,-0.2 -0.549 48.2 -84.2-128.2-178.6 -22.5 -17.7 -10.2 80 85 A F H > S+ 0 0 0 181,-1.0 4,-1.4 2,-0.2 5,-0.1 0.699 122.8 62.7 -68.1 -19.3 -22.7 -17.4 -6.4 81 86 A G H > S+ 0 0 23 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.937 108.9 42.5 -61.9 -47.0 -26.0 -15.3 -6.8 82 87 A H H > S+ 0 0 37 1,-0.2 4,-2.2 -3,-0.2 3,-0.4 0.912 108.7 59.4 -67.8 -39.3 -27.5 -18.4 -8.3 83 88 A K H X S+ 0 0 12 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.855 97.9 58.8 -58.7 -37.7 -25.9 -20.6 -5.7 84 89 A L H X S+ 0 0 5 -4,-1.4 4,-1.4 -3,-0.3 -1,-0.2 0.888 107.9 46.4 -58.6 -41.0 -27.7 -18.8 -2.9 85 90 A T H X S+ 0 0 19 -4,-1.1 4,-2.0 -3,-0.4 3,-0.3 0.957 113.9 47.0 -65.3 -47.0 -31.1 -19.7 -4.5 86 91 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.845 106.3 58.5 -64.3 -37.3 -30.1 -23.4 -5.0 87 92 A D H X S+ 0 0 38 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.903 105.7 49.7 -58.5 -40.7 -28.8 -23.7 -1.5 88 93 A Q H X S+ 0 0 8 -4,-1.4 4,-2.0 -3,-0.3 -2,-0.2 0.903 111.1 50.7 -65.6 -40.2 -32.3 -22.7 -0.2 89 94 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.916 109.1 50.3 -58.0 -41.7 -33.8 -25.3 -2.6 90 95 A I H X S+ 0 0 13 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.928 109.1 51.0 -67.5 -43.2 -31.5 -28.0 -1.3 91 96 A Y H X S+ 0 0 35 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.972 114.1 43.8 -54.3 -52.9 -32.3 -27.2 2.3 92 97 A L H ><>S+ 0 0 8 -4,-2.0 5,-2.3 1,-0.2 3,-0.7 0.927 112.0 54.1 -61.7 -40.1 -36.0 -27.5 1.6 93 98 A Q H ><5S+ 0 0 25 -4,-3.1 3,-1.7 1,-0.3 -1,-0.2 0.921 106.6 50.0 -61.6 -46.5 -35.5 -30.6 -0.5 94 99 A K H 3<5S+ 0 0 169 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.709 108.4 56.5 -61.3 -24.9 -33.7 -32.4 2.3 95 100 A N T <<5S- 0 0 43 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.178 131.5 -89.6 -94.1 22.4 -36.6 -31.4 4.6 96 101 A G T < 5S+ 0 0 30 -3,-1.7 -30,-0.3 1,-0.3 -3,-0.2 0.386 77.9 141.7 98.8 -5.2 -39.2 -33.0 2.4 97 102 A F < - 0 0 1 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.489 52.3-125.0 -73.5 142.2 -40.2 -30.3 -0.1 98 103 A K E -c 67 0A 23 -32,-2.7 -30,-2.6 -2,-0.2 2,-0.5 -0.685 31.3-144.7 -75.8 129.6 -40.9 -31.2 -3.7 99 104 A V E -c 68 0A 0 -2,-0.5 43,-3.0 41,-0.4 2,-0.4 -0.847 16.9-171.9-103.7 133.1 -38.6 -28.9 -5.8 100 105 A F E -ce 69 142A 0 -32,-2.5 -30,-1.7 -2,-0.5 2,-0.5 -0.981 2.3-168.3-117.8 133.8 -39.6 -27.5 -9.1 101 106 A V E -ce 70 143A 0 41,-2.6 43,-2.0 -2,-0.4 2,-0.4 -0.963 6.6-158.0-124.5 115.0 -37.1 -25.7 -11.2 102 107 A A E -ce 71 144A 0 -32,-3.0 -30,-2.5 -2,-0.5 2,-0.6 -0.778 6.9-148.0 -93.0 135.5 -38.3 -23.8 -14.2 103 108 A I E -ce 72 145A 1 41,-3.0 43,-2.1 -2,-0.4 2,-2.0 -0.914 11.6-144.9 -95.7 116.7 -36.0 -22.9 -17.1 104 109 A A > + 0 0 8 -32,-3.0 4,-2.2 -2,-0.6 5,-0.1 -0.276 49.3 139.1 -77.3 52.6 -37.1 -19.6 -18.6 105 110 A D H > + 0 0 0 -2,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.755 68.0 56.6 -73.2 -23.6 -36.2 -20.5 -22.2 106 111 A A H > S+ 0 0 29 -3,-0.4 4,-3.1 2,-0.2 5,-0.4 0.953 112.2 42.3 -68.0 -46.9 -39.4 -18.8 -23.7 107 112 A E H >>S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-1.9 0.917 111.2 57.0 -62.5 -41.6 -38.4 -15.5 -22.0 108 113 A A H <5S+ 0 0 0 -4,-2.2 6,-3.0 3,-0.2 -1,-0.2 0.922 114.7 38.5 -55.0 -45.2 -34.8 -16.1 -23.1 109 114 A F H X5S+ 0 0 113 -4,-2.0 4,-0.8 4,-0.2 -2,-0.2 0.971 124.7 34.8 -68.9 -55.7 -35.9 -16.3 -26.7 110 115 A A H <5S+ 0 0 52 -4,-3.1 -3,-0.2 -5,-0.2 69,-0.2 0.857 131.6 23.8 -79.5 -37.4 -38.6 -13.7 -26.8 111 116 A V T <5S+ 0 0 45 -4,-2.7 -3,-0.2 -5,-0.4 -1,-0.1 0.880 132.9 33.2 -94.6 -49.2 -37.3 -10.9 -24.5 112 117 A R T 4 - 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0 0 6 -3,-2.0 -4,-0.0 1,-0.1 0, 0.0 -0.369 65.3-118.8 -58.1 129.8 -13.8 -20.5 -12.7 266 271 A P > - 0 0 67 0, 0.0 4,-2.9 0, 0.0 3,-0.4 -0.369 31.4-103.8 -62.8 158.4 -10.5 -22.2 -12.6 267 272 A P H > S+ 0 0 70 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.877 120.0 50.8 -61.8 -40.6 -8.7 -21.7 -9.3 268 273 A E H > S+ 0 0 152 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.888 112.5 47.4 -62.6 -41.2 -6.3 -19.1 -10.5 269 274 A V H > S+ 0 0 62 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.934 114.6 45.4 -64.1 -46.1 -9.1 -17.0 -12.1 270 275 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.905 110.5 54.4 -65.1 -40.0 -11.3 -17.2 -8.9 271 276 A R H X S+ 0 0 91 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.943 109.0 47.8 -61.6 -44.2 -8.5 -16.4 -6.6 272 277 A N H X S+ 0 0 54 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.913 110.9 50.0 -65.9 -40.1 -7.6 -13.3 -8.5 273 278 A K H < S+ 0 0 12 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.920 112.8 48.5 -59.2 -44.7 -11.2 -12.1 -8.6 274 279 A L H >< S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.2 -2,-0.2 0.915 109.8 51.7 -61.0 -41.9 -11.4 -12.7 -4.8 275 280 A F H 3< S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 108.4 52.0 -70.9 -19.3 -8.2 -10.8 -4.3 276 281 A R T 3< S+ 0 0 160 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.453 84.8 123.8 -87.3 -4.2 -9.5 -7.9 -6.2 277 282 A A < - 0 0 4 -3,-1.5 -29,-0.2 -4,-0.3 2,-0.2 -0.273 69.1-106.8 -59.3 144.2 -12.7 -7.7 -4.2 278 283 A L - 0 0 99 -31,-2.9 21,-2.0 2,-0.0 22,-0.5 -0.464 44.0-174.9 -65.8 135.3 -13.7 -4.4 -2.4 279 284 A T - 0 0 44 19,-0.2 19,-0.1 -2,-0.2 -1,-0.0 -0.711 41.7-112.5-120.8 172.1 -13.2 -4.6 1.4 280 285 A G S S+ 0 0 9 -2,-0.2 14,-1.8 15,-0.0 18,-0.1 -0.160 74.8 132.8 -88.6 32.4 -13.9 -2.5 4.4 281 286 A G - 0 0 28 12,-0.2 2,-0.2 1,-0.1 47,-0.1 -0.141 48.3-124.7 -78.2 177.7 -10.1 -2.2 4.9 282 287 A R - 0 0 95 2,-0.1 6,-0.1 3,-0.0 -1,-0.1 -0.592 35.4 -73.9-122.6-177.5 -8.2 1.1 5.5 283 288 A A S S- 0 0 91 -2,-0.2 2,-0.3 1,-0.1 3,-0.1 0.825 104.2 -12.0 -40.2 -51.0 -5.5 3.2 4.1 284 289 A T S > S- 0 0 77 1,-0.1 4,-2.5 0, 0.0 3,-0.3 -0.966 70.4 -93.9-155.7 160.7 -2.7 1.0 5.3 285 290 A A H > S+ 0 0 52 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.904 123.8 55.7 -41.6 -51.0 -1.6 -2.0 7.5 286 291 A E H > S+ 0 0 152 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.896 109.6 40.8 -51.6 -54.8 -0.8 0.7 10.1 287 292 A E H > S+ 0 0 66 -3,-0.3 4,-2.0 1,-0.2 5,-0.4 0.822 110.8 59.0 -70.6 -32.7 -4.2 2.4 10.2 288 293 A Q H X S+ 0 0 8 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.918 101.3 55.8 -61.7 -44.1 -6.1 -1.0 10.1 289 294 A R H < S+ 0 0 135 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.889 110.3 43.3 -59.8 -39.9 -4.4 -2.2 13.3 290 295 A R H < S+ 0 0 210 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.953 132.1 18.5 -68.8 -50.8 -5.5 0.8 15.4 291 296 A L H < S- 0 0 85 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.718 94.8-144.3 -94.1 -25.4 -9.1 1.0 14.2 292 297 A G < - 0 0 0 -4,-3.0 31,-0.2 -5,-0.4 -1,-0.2 -0.372 31.3 -63.7 78.5-167.5 -9.8 -2.4 12.6 293 298 A G - 0 0 4 29,-3.1 -12,-0.2 26,-0.2 32,-0.0 -0.465 32.1-114.3-112.0-176.1 -12.0 -2.9 9.6 294 299 A V > + 0 0 46 -14,-1.8 3,-1.3 -2,-0.2 -13,-0.1 -0.794 28.4 173.5-122.4 85.9 -15.6 -2.5 8.5 295 300 A P G > S+ 0 0 2 0, 0.0 3,-2.1 0, 0.0 7,-0.2 0.836 73.7 73.6 -61.3 -34.5 -17.1 -5.9 7.7 296 301 A E G 3 S+ 0 0 63 1,-0.3 -2,-0.0 -16,-0.1 0, 0.0 0.747 109.5 31.2 -47.9 -29.3 -20.6 -4.4 7.2 297 302 A V G < S+ 0 0 99 -3,-1.3 2,-0.6 -17,-0.0 -1,-0.3 0.164 96.7 109.0-114.9 16.8 -19.3 -3.0 3.8 298 303 A C <> - 0 0 11 -3,-2.1 4,-1.9 1,-0.1 -19,-0.2 -0.839 51.5-160.5-108.1 124.6 -16.8 -5.7 2.9 299 304 A S H > S+ 0 0 7 -21,-2.0 4,-1.6 -2,-0.6 -20,-0.2 0.702 93.8 57.7 -77.1 -15.9 -17.6 -8.1 0.0 300 305 A V H > S+ 0 0 2 -22,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.952 107.0 47.3 -73.6 -46.5 -15.0 -10.6 1.4 301 306 A Y H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.893 111.0 51.9 -61.6 -41.8 -16.8 -10.8 4.7 302 307 A H H X S+ 0 0 28 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.885 105.5 54.5 -65.3 -33.8 -20.2 -11.2 2.8 303 308 A M H X>S+ 0 0 0 -4,-1.6 5,-2.5 2,-0.2 4,-1.9 0.924 112.1 45.3 -59.7 -45.6 -18.7 -14.1 0.8 304 309 A D H <>S+ 0 0 0 -4,-2.3 5,-2.0 3,-0.2 -2,-0.2 0.939 116.4 45.8 -59.6 -43.9 -17.8 -15.7 4.2 305 310 A L H <5S+ 0 0 9 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.874 120.6 36.1 -69.3 -37.8 -21.2 -15.0 5.6 306 311 A Y H <5S- 0 0 7 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.780 139.8 -15.1 -88.9 -27.6 -23.3 -16.1 2.6 307 312 A H T <5S+ 0 0 13 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.632 117.3 59.7-139.5 -54.3 -21.2 -19.1 1.5 308 313 A L T S- 0 0 94 1,-0.2 4,-1.8 -3,-0.1 5,-0.2 -0.669 70.8-150.8 -82.3 117.4 -19.9 -22.5 10.8 312 317 A D H > S+ 0 0 32 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.892 93.2 52.7 -55.5 -42.4 -21.3 -19.5 12.9 313 318 A G H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.913 108.0 51.3 -59.7 -43.4 -18.3 -19.4 15.3 314 319 A E H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 112.5 43.2 -67.4 -42.6 -15.8 -19.2 12.5 315 320 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.902 111.7 55.7 -73.8 -35.4 -17.5 -16.3 10.7 316 321 A K H X S+ 0 0 95 -4,-2.8 4,-3.1 -5,-0.2 5,-0.2 0.918 105.2 54.0 -53.9 -41.8 -18.0 -14.5 14.1 317 322 A H H X S+ 0 0 123 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.906 106.6 50.6 -65.3 -38.2 -14.3 -14.8 14.6 318 323 A I H X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.937 113.4 45.4 -60.7 -46.1 -13.6 -13.1 11.3 319 324 A Y H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.943 115.9 45.5 -60.3 -51.6 -16.0 -10.3 12.3 320 325 A T H X S+ 0 0 66 -4,-3.1 4,-1.4 2,-0.2 6,-0.2 0.967 114.3 48.3 -55.7 -58.1 -14.6 -9.9 15.8 321 326 A S H <>S+ 0 0 7 -4,-2.6 5,-2.6 1,-0.2 6,-0.6 0.891 114.2 45.1 -52.8 -50.2 -10.9 -10.0 14.7 322 327 A C H ><5S+ 0 0 17 -4,-2.4 -29,-3.1 -5,-0.3 3,-0.7 0.878 115.5 48.0 -60.2 -40.8 -11.5 -7.5 11.9 323 328 A R H 3<5S+ 0 0 114 -4,-2.5 -2,-0.2 -31,-0.2 -1,-0.2 0.611 112.5 50.5 -78.0 -10.7 -13.5 -5.3 14.3 324 329 A L T 3<5S- 0 0 106 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.411 115.8-109.4-100.2 -0.9 -10.7 -5.6 17.0 325 330 A G T < 5S+ 0 0 7 -3,-0.7 -3,-0.2 -4,-0.5 -33,-0.2 0.575 84.6 120.6 81.1 11.9 -7.8 -4.7 14.7 326 331 A K < + 0 0 146 -5,-2.6 2,-0.4 -6,-0.2 -4,-0.2 0.462 63.8 46.8 -90.4 -1.8 -6.4 -8.3 14.7 327 332 A I - 0 0 9 -6,-0.6 2,-0.3 -39,-0.1 -2,-0.1 -0.999 62.9-146.2-147.5 139.0 -6.5 -9.0 11.0 328 333 A L >> - 0 0 35 -2,-0.4 4,-2.3 1,-0.1 3,-0.5 -0.712 31.4-113.5 -99.2 158.3 -5.5 -7.4 7.7 329 334 A C H 3> S+ 0 0 35 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.792 112.1 60.7 -63.1 -34.0 -7.3 -7.8 4.4 330 335 A G H 3> S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.928 112.0 38.1 -59.6 -43.9 -4.5 -9.7 2.7 331 336 A E H <> S+ 0 0 90 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.876 114.5 54.6 -78.6 -36.8 -4.7 -12.5 5.3 332 337 A C H X S+ 0 0 16 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.895 109.6 48.6 -56.5 -43.8 -8.5 -12.3 5.5 333 338 A K H X S+ 0 0 29 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.868 110.1 49.7 -64.0 -43.0 -8.6 -12.8 1.7 334 339 A Q H X S+ 0 0 58 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.917 109.7 52.3 -68.7 -35.4 -6.3 -15.7 1.7 335 340 A I H X S+ 0 0 66 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.945 113.6 43.3 -57.9 -47.0 -8.4 -17.4 4.5 336 341 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-0.3 0.932 111.1 57.8 -65.4 -38.5 -11.6 -16.9 2.4 337 342 A W H X S+ 0 0 7 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.910 102.5 52.4 -61.1 -42.9 -9.6 -18.1 -0.7 338 343 A E H X S+ 0 0 85 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.858 110.1 48.1 -63.5 -32.6 -8.7 -21.4 0.9 339 344 A K H X S+ 0 0 68 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.928 114.7 46.4 -68.0 -44.0 -12.3 -22.1 1.7 340 345 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.900 108.2 55.8 -66.2 -36.7 -13.3 -21.2 -1.9 341 346 A E H X S+ 0 0 78 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.932 110.4 44.3 -66.3 -43.7 -10.5 -23.3 -3.5 342 347 A R H X S+ 0 0 173 -4,-1.5 4,-2.2 -5,-0.2 5,-0.3 0.917 114.2 49.8 -65.3 -43.9 -11.6 -26.3 -1.7 343 348 A F H X S+ 0 0 48 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.977 113.1 46.6 -58.8 -50.7 -15.3 -25.6 -2.5 344 349 A L H X S+ 0 0 2 -4,-3.3 4,-3.2 1,-0.2 -1,-0.2 0.880 111.6 51.6 -60.3 -38.2 -14.5 -25.0 -6.2 345 350 A A H X S+ 0 0 58 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.906 113.2 41.9 -69.3 -42.9 -12.4 -28.1 -6.5 346 351 A E H X S+ 0 0 101 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.929 117.4 49.3 -69.4 -38.3 -14.9 -30.5 -5.1 347 352 A H H >X S+ 0 0 0 -4,-2.7 3,-1.3 -5,-0.3 4,-0.6 0.951 111.4 48.3 -65.5 -49.6 -17.7 -28.8 -7.1 348 353 A Q H >X S+ 0 0 56 -4,-3.2 3,-0.7 1,-0.3 4,-0.7 0.811 104.4 60.3 -63.1 -27.0 -15.8 -29.0 -10.3 349 354 A S H 3< S+ 0 0 72 -4,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.671 108.2 46.4 -71.2 -17.1 -14.9 -32.7 -9.8 350 355 A R H S+ 0 0 115 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.905 110.8 54.9 -67.7 -42.9 -20.6 -36.3 -14.5 354 359 A A H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.869 103.4 56.7 -53.2 -41.2 -23.5 -34.0 -13.6 355 360 A K H X S+ 0 0 49 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.944 107.9 47.3 -60.6 -45.1 -23.6 -32.7 -17.2 356 361 A T H X S+ 0 0 86 -4,-1.5 4,-0.6 1,-0.2 -2,-0.2 0.940 114.6 46.1 -54.3 -50.7 -24.1 -36.3 -18.5 357 362 A I H >< S+ 0 0 63 -4,-2.1 3,-1.3 1,-0.2 4,-0.5 0.890 106.6 62.2 -60.8 -38.3 -26.8 -36.9 -15.9 358 363 A A H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 4,-0.5 0.896 94.3 57.8 -61.8 -45.6 -28.4 -33.5 -16.8 359 364 A W H 3< S+ 0 0 103 -4,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.725 107.8 51.3 -59.4 -18.2 -29.2 -34.3 -20.5 360 365 A K T << S+ 0 0 166 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.509 97.1 66.4 -93.0 -6.7 -31.3 -37.2 -19.1 361 366 A L S < S+ 0 0 46 -3,-2.1 -218,-0.4 -4,-0.5 2,-0.3 0.515 104.7 39.5 -91.9 -3.5 -33.3 -35.2 -16.6 362 367 A V - 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