==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-OCT-08 2ZTG . COMPND 2 MOLECULE: ALANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR M.NAGANUMA,S.SEKINE,R.FUKUNAGA,S.YOKOYAMA . 740 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 . 3 0.4 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 . 64 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 2 0 1 1 2 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 1 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 1 2 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 0 0 PARALLEL BRIDGES PER LADDER . 5 5 3 2 5 1 1 2 2 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 . 1 1 3 0 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 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 1 A X 0 0 114 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.8 37.4 -25.2 -54.9 2 2 A T > - 0 0 83 1,-0.1 4,-1.2 3,-0.0 5,-0.1 -0.228 360.0-109.7 -70.4 159.4 40.5 -25.1 -52.7 3 3 A L H > S+ 0 0 45 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.887 119.1 53.4 -55.1 -40.5 41.3 -22.3 -50.2 4 4 A D H >> S+ 0 0 75 1,-0.2 3,-1.6 2,-0.2 4,-0.6 0.961 112.7 39.3 -61.1 -56.0 44.1 -21.2 -52.5 5 5 A E H 34 S+ 0 0 76 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.582 101.1 77.7 -71.9 -7.9 42.0 -20.9 -55.6 6 6 A E H 3< S+ 0 0 10 -4,-1.2 -1,-0.3 1,-0.2 3,-0.3 0.739 95.5 47.4 -71.1 -23.6 39.3 -19.4 -53.4 7 7 A Y H X< S+ 0 0 8 -3,-1.6 3,-1.0 -4,-0.5 -1,-0.2 0.709 100.4 63.5 -87.4 -25.5 41.3 -16.2 -53.5 8 8 A L T 3< S+ 0 0 105 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.422 93.3 69.3 -78.0 4.2 41.8 -16.3 -57.3 9 9 A D T 3 S+ 0 0 67 -3,-0.3 2,-0.9 -4,-0.1 -1,-0.2 0.702 74.6 93.5 -91.5 -24.7 38.0 -16.0 -57.3 10 10 A I <> + 0 0 3 -3,-1.0 4,-0.8 1,-0.2 3,-0.5 -0.612 48.4 179.8 -77.4 103.1 38.0 -12.4 -56.0 11 11 A T H > S+ 0 0 75 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.648 72.4 74.0 -77.6 -15.1 37.9 -10.1 -59.1 12 12 A F H 4 S+ 0 0 32 2,-0.2 6,-0.2 1,-0.2 -1,-0.2 0.860 93.6 51.1 -66.4 -37.6 37.9 -7.0 -56.8 13 13 A L H >4>S+ 0 0 0 -3,-0.5 5,-2.7 2,-0.2 3,-1.3 0.970 115.0 39.5 -64.8 -55.2 41.6 -7.3 -55.9 14 14 A T H ><5S+ 0 0 87 -4,-0.8 3,-1.1 1,-0.3 -2,-0.2 0.868 114.4 53.8 -63.7 -38.8 43.0 -7.7 -59.4 15 15 A E T 3<5S+ 0 0 159 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.438 110.4 49.3 -76.8 1.6 40.7 -5.1 -60.9 16 16 A N T < 5S- 0 0 77 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.227 126.3 -89.3-124.4 12.7 41.8 -2.6 -58.2 17 17 A G T < 5S+ 0 0 48 -3,-1.1 2,-0.4 1,-0.3 -3,-0.2 0.387 79.7 138.3 98.0 -3.7 45.5 -2.8 -58.5 18 18 A F < - 0 0 5 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.3 -0.619 30.7-169.3 -81.7 132.0 46.1 -5.6 -56.0 19 19 A V E -A 32 0A 66 13,-3.4 13,-2.2 -2,-0.4 2,-0.4 -0.945 22.9-117.9-120.6 142.4 48.7 -8.2 -57.0 20 20 A R E +A 31 0A 48 -2,-0.4 11,-0.2 11,-0.2 2,-0.2 -0.654 43.1 160.9 -82.2 128.8 49.3 -11.6 -55.3 21 21 A K E -A 30 0A 87 9,-3.1 9,-1.6 -2,-0.4 2,-0.1 -0.639 32.9-151.5-131.3-171.6 52.8 -12.0 -53.8 22 22 A R + 0 0 127 7,-0.2 3,-0.2 -2,-0.2 7,-0.1 -0.532 20.7 166.7-170.4 89.5 54.7 -14.2 -51.3 23 23 A C - 0 0 39 1,-0.9 2,-0.2 5,-0.2 -1,-0.1 0.839 51.8-121.4 -48.2 -60.1 57.7 -12.4 -49.8 24 24 A P + 0 0 64 0, 0.0 -1,-0.9 0, 0.0 4,-0.3 -0.637 68.5 139.9 -53.3 -79.3 58.0 -14.6 -47.4 25 25 A K S S- 0 0 58 -2,-0.2 3,-0.3 1,-0.2 -2,-0.2 0.995 101.5 -0.1 54.4 68.8 57.6 -12.1 -44.6 26 26 A C S S- 0 0 41 1,-0.2 -1,-0.2 15,-0.1 3,-0.1 0.179 110.2-108.4 103.0 -10.7 55.5 -14.6 -42.6 27 27 A G S S+ 0 0 47 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.472 83.9 110.6 70.3 2.7 55.8 -17.2 -45.4 28 28 A K S S- 0 0 67 -4,-0.3 2,-0.3 -3,-0.3 -1,-0.2 -0.309 73.5 -96.1 -97.7-176.8 52.1 -16.8 -46.6 29 29 A H + 0 0 71 159,-0.3 159,-2.7 -7,-0.1 2,-0.3 -0.767 45.4 175.7 -98.6 148.0 50.5 -15.3 -49.7 30 30 A F E -AB 21 187A 8 -9,-1.6 -9,-3.1 -2,-0.3 2,-0.5 -0.977 26.7-124.8-149.9 162.1 49.3 -11.7 -49.6 31 31 A W E +AB 20 186A 7 155,-1.9 155,-2.2 -2,-0.3 2,-0.3 -0.944 27.9 174.8-115.6 128.4 47.8 -9.1 -51.9 32 32 A T E -A 19 0A 1 -13,-2.2 -13,-3.4 -2,-0.5 153,-0.1 -0.960 26.5-163.8-131.1 147.7 49.3 -5.6 -52.3 33 33 A A + 0 0 8 148,-0.5 149,-0.2 151,-0.4 150,-0.1 0.308 65.1 104.7-108.6 3.8 48.5 -2.7 -54.6 34 34 A D - 0 0 43 148,-0.2 -15,-0.1 147,-0.2 -2,-0.0 -0.785 51.4-168.5 -90.6 111.7 51.8 -1.0 -54.0 35 35 A P S S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.751 76.7 69.6 -70.4 -23.2 54.0 -1.5 -57.1 36 36 A E S S- 0 0 141 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.985 106.5 -9.0 -62.1 -64.4 57.1 -0.2 -55.3 37 37 A R - 0 0 129 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.977 38.6-157.3-149.5 159.2 57.8 -3.0 -52.9 38 38 A E + 0 0 67 -2,-0.3 -16,-0.1 1,-0.1 -13,-0.1 -0.989 55.9 108.3-131.3 118.8 56.9 -6.2 -51.1 39 39 A I + 0 0 60 -2,-0.4 6,-0.2 -14,-0.1 -1,-0.1 -0.158 61.2 147.1-171.2 12.7 58.4 -7.1 -47.8 40 40 A C + 0 0 27 -3,-0.1 2,-0.3 1,-0.1 -17,-0.2 -0.173 10.4 89.9 -66.0 151.6 55.0 -6.3 -46.5 41 41 A G - 0 0 9 1,-0.1 166,-0.3 6,-0.1 6,-0.1 -0.977 62.4-103.5 162.2-146.5 53.2 -8.0 -43.6 42 42 A D S S+ 0 0 7 -2,-0.3 4,-0.2 -17,-0.2 -1,-0.1 0.455 90.5 40.9-141.8 -70.3 52.7 -7.7 -39.8 43 43 A P S S+ 0 0 30 0, 0.0 260,-0.1 0, 0.0 -17,-0.1 0.933 113.8 32.5 -59.6 -59.6 54.5 -10.1 -37.4 44 44 A P S S+ 0 0 54 0, 0.0 -3,-0.1 0, 0.0 -19,-0.0 0.999 127.9 3.5 -69.3 -73.5 58.2 -10.5 -38.6 45 45 A C S S+ 0 0 70 -6,-0.2 2,-0.2 -5,-0.1 -5,-0.1 0.606 111.2 70.3 -99.5 -11.6 59.7 -7.5 -40.4 46 46 A E - 0 0 61 -4,-0.2 2,-0.3 161,-0.1 -4,-0.1 -0.453 60.2-175.3 -90.5 178.6 57.2 -4.6 -40.3 47 47 A S - 0 0 29 -2,-0.2 250,-0.2 -6,-0.1 249,-0.1 -0.876 46.8 -56.3-158.3 175.6 56.6 -3.0 -36.9 48 48 A Y + 0 0 5 248,-2.0 159,-0.2 -2,-0.3 158,-0.1 -0.439 50.1 172.8 -66.4 137.7 54.1 -0.4 -36.0 49 49 A S + 0 0 62 157,-1.3 -1,-0.2 -2,-0.1 158,-0.1 0.467 69.3 68.7-119.3 -12.5 54.6 2.7 -38.2 50 50 A F > + 0 0 0 156,-0.6 3,-1.9 155,-0.1 2,-0.6 0.525 66.5 115.6 -85.5 -6.8 51.6 4.7 -37.0 51 51 A I T 3 S+ 0 0 6 1,-0.3 206,-0.2 207,-0.1 205,-0.1 -0.528 97.0 1.2 -68.0 113.6 53.0 5.3 -33.5 52 52 A G T 3 S+ 0 0 56 204,-2.5 -1,-0.3 -2,-0.6 205,-0.1 0.362 133.7 65.8 89.1 -4.4 53.5 9.0 -33.3 53 53 A N S < S- 0 0 116 -3,-1.9 203,-0.2 203,-0.1 -2,-0.1 -0.596 82.0-144.3-150.6 80.8 52.1 9.3 -36.8 54 54 A P - 0 0 63 0, 0.0 200,-0.2 0, 0.0 199,-0.1 -0.015 2.3-150.2 -45.7 149.4 48.4 8.3 -37.1 55 55 A V S S+ 0 0 33 198,-2.0 2,-0.2 150,-0.1 199,-0.2 0.457 73.2 74.2-102.6 -7.2 47.3 6.5 -40.3 56 56 A F S S- 0 0 11 197,-0.8 122,-0.3 1,-0.1 121,-0.1 -0.678 90.6-109.0-105.1 163.3 43.7 7.8 -40.2 57 57 A K S S+ 0 0 159 120,-4.4 121,-0.1 -2,-0.2 -1,-0.1 0.953 96.1 4.6 -52.4 -61.5 42.4 11.2 -41.1 58 58 A K S S- 0 0 92 119,-0.3 2,-0.6 -3,-0.0 -1,-0.1 -0.823 82.6 -98.1-126.1 165.1 41.5 12.2 -37.6 59 59 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 196,-0.1 -0.738 41.6-155.9 -85.8 118.4 41.8 10.7 -34.0 60 60 A F - 0 0 11 -2,-0.6 2,-0.2 191,-0.3 194,-0.1 -0.651 9.3-132.8 -95.0 152.0 38.5 9.0 -33.0 61 61 A E > - 0 0 91 -2,-0.3 4,-2.8 1,-0.1 5,-0.4 -0.654 36.0-101.5 -94.6 158.4 37.3 8.4 -29.5 62 62 A L H > S+ 0 0 16 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.908 122.7 41.9 -43.4 -59.6 36.0 4.9 -28.7 63 63 A D H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.803 114.6 52.1 -62.0 -33.9 32.3 5.9 -28.9 64 64 A E H > S+ 0 0 81 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.902 111.4 44.6 -70.1 -44.7 32.9 8.0 -32.0 65 65 A X H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.879 112.5 53.9 -66.9 -37.1 34.7 5.3 -34.0 66 66 A R H X S+ 0 0 29 -4,-2.2 4,-2.0 -5,-0.4 -2,-0.2 0.943 113.6 41.2 -61.2 -48.6 32.0 2.8 -32.9 67 67 A E H X S+ 0 0 93 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.914 112.5 55.1 -65.9 -45.4 29.2 5.1 -34.2 68 68 A Y H X S+ 0 0 63 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.898 110.6 45.3 -55.5 -44.9 31.1 6.0 -37.3 69 69 A Y H X S+ 0 0 1 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.922 115.2 47.0 -66.1 -45.3 31.6 2.3 -38.3 70 70 A L H X S+ 0 0 13 -4,-2.0 4,-1.6 -5,-0.2 3,-0.2 0.910 114.5 45.2 -64.2 -45.2 27.9 1.4 -37.5 71 71 A N H X S+ 0 0 69 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.879 105.4 64.7 -66.8 -35.3 26.5 4.4 -39.4 72 72 A F H < S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.882 110.8 34.3 -55.1 -43.6 28.9 3.7 -42.3 73 73 A F H ><>S+ 0 0 0 -4,-1.4 5,-2.8 -3,-0.2 3,-1.3 0.717 111.0 62.6 -85.4 -22.6 27.2 0.3 -43.0 74 74 A E H ><5S+ 0 0 73 -4,-1.6 3,-1.1 1,-0.3 -2,-0.2 0.873 102.4 51.6 -68.5 -35.3 23.7 1.5 -42.0 75 75 A R T 3<5S+ 0 0 117 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.245 107.9 57.1 -84.3 17.2 23.9 4.0 -44.9 76 76 A R T < 5S- 0 0 46 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 -0.079 131.3 -84.7-134.4 29.7 24.9 1.0 -47.0 77 77 A G T < 5S+ 0 0 60 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.404 84.5 134.8 85.6 -1.0 21.9 -1.2 -46.4 78 78 A H < - 0 0 5 -5,-2.8 2,-0.4 -7,-0.1 42,-0.3 -0.672 50.5-133.3 -89.0 136.9 22.9 -2.9 -43.2 79 79 A G E -c 120 0A 26 40,-2.5 42,-2.7 -2,-0.4 2,-0.2 -0.728 22.5-127.7 -87.7 129.7 20.6 -3.2 -40.3 80 80 A R E -c 121 0A 82 -2,-0.4 2,-0.4 40,-0.2 42,-0.2 -0.539 27.5-171.1 -77.6 136.5 22.0 -2.2 -36.9 81 81 A I - 0 0 25 40,-1.9 42,-0.5 -2,-0.2 2,-0.1 -0.994 23.4-112.1-134.9 141.2 21.8 -4.7 -34.0 82 82 A E - 0 0 149 -2,-0.4 42,-0.1 1,-0.1 40,-0.0 -0.325 44.4 -93.6 -68.2 146.8 22.5 -4.4 -30.3 83 83 A R - 0 0 57 40,-0.2 -1,-0.1 1,-0.1 41,-0.1 -0.071 32.9-129.6 -58.1 159.2 25.4 -6.3 -28.8 84 84 A Y - 0 0 26 1,-0.1 -1,-0.1 41,-0.1 4,-0.1 -0.616 37.5 -88.9-101.2 164.2 25.0 -9.8 -27.3 85 85 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 265,-0.1 -0.324 31.4-116.8 -72.1 166.4 26.3 -10.5 -23.9 86 86 A V S S+ 0 0 0 263,-0.3 11,-2.0 10,-0.1 2,-0.6 0.514 100.2 79.9 -79.1 -3.9 29.9 -11.8 -23.5 87 87 A V B S-L 96 0B 8 9,-0.2 2,-2.5 266,-0.1 9,-0.3 -0.925 88.7-128.8-105.0 119.5 28.4 -15.0 -22.1 88 88 A A > + 0 0 6 7,-2.0 3,-1.4 -2,-0.6 6,-0.2 -0.356 45.9 156.6 -70.6 68.6 27.1 -17.3 -24.8 89 89 A R T 3 + 0 0 47 -2,-2.5 -1,-0.2 1,-0.3 595,-0.1 0.808 66.8 63.1 -63.5 -32.5 23.6 -17.9 -23.3 90 90 A W T 3 S+ 0 0 7 -3,-0.2 -1,-0.3 595,-0.0 2,-0.2 0.476 109.4 35.3 -74.3 -3.1 22.2 -18.8 -26.8 91 91 A R < - 0 0 10 -3,-1.4 593,-0.1 3,-0.2 12,-0.0 -0.807 58.4-150.1-139.7-179.6 24.4 -21.9 -27.2 92 92 A T S S+ 0 0 87 -2,-0.2 395,-0.4 593,-0.1 3,-0.1 0.389 80.7 76.4-136.4 -2.5 26.0 -24.7 -25.2 93 93 A D S S+ 0 0 62 393,-0.1 394,-0.6 1,-0.1 2,-0.3 0.788 102.4 27.3 -84.0 -28.0 29.2 -25.6 -27.0 94 94 A I B -M 486 0C 28 392,-0.2 392,-0.2 -6,-0.2 -3,-0.2 -0.926 64.0-144.1-132.1 157.8 31.3 -22.6 -25.8 95 95 A Y S S+ 0 0 53 390,-2.3 -7,-2.0 -2,-0.3 2,-0.3 0.893 78.1 34.1 -88.5 -44.9 31.2 -20.4 -22.7 96 96 A L B S-L 87 0B 10 389,-0.5 2,-0.9 -9,-0.3 -9,-0.2 -0.750 86.7 -99.0-115.1 161.7 32.1 -16.9 -23.9 97 97 A T + 0 0 0 -11,-2.0 30,-2.3 -2,-0.3 3,-0.1 -0.661 39.1 174.6 -78.1 106.9 31.6 -14.9 -27.1 98 98 A I + 0 0 51 -2,-0.9 2,-0.3 28,-0.2 -1,-0.2 0.607 65.0 5.8 -90.8 -14.2 34.8 -15.3 -29.1 99 99 A A S > S- 0 0 0 26,-0.1 3,-1.6 1,-0.1 4,-0.4 -0.975 74.0-108.0-161.2 156.3 33.7 -13.4 -32.2 100 100 A S G > S+ 0 0 0 -2,-0.3 3,-2.2 1,-0.3 4,-0.4 0.912 119.5 61.3 -56.6 -37.8 30.8 -11.5 -33.5 101 101 A I G > S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.769 89.2 72.7 -61.1 -20.1 30.0 -14.4 -35.7 102 102 A A G X S+ 0 0 0 -3,-1.6 3,-1.2 1,-0.3 -1,-0.3 0.748 83.2 67.3 -66.2 -24.0 29.5 -16.4 -32.5 103 103 A D G < S+ 0 0 6 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.770 104.9 44.7 -65.2 -26.9 26.3 -14.6 -31.8 104 104 A F G <>>S+ 0 0 3 -3,-1.2 5,-2.1 -4,-0.4 4,-0.6 0.212 92.7 139.9-106.2 16.3 24.8 -16.3 -34.8 105 105 A Q T <45 - 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J 0 212A 0 -32,-1.7 -32,-2.0 -2,-0.2 2,-0.5 -0.824 3.4-172.7-160.6 116.5 35.5 -8.5 -37.8 245 245 A Y E -EJ 148 211A 0 -97,-3.1 -97,-3.7 -2,-0.3 2,-0.9 -0.961 28.9-126.4-113.6 124.9 37.1 -5.1 -37.3 246 246 A G E > -E 147 0A 0 -36,-1.9 4,-2.3 -2,-0.5 -99,-0.2 -0.620 16.3-160.8 -74.9 106.7 38.8 -4.4 -34.0 247 247 A L H > S+ 0 0 0 -101,-2.1 4,-2.7 -2,-0.9 5,-0.2 0.919 91.9 48.3 -49.7 -53.5 37.3 -1.1 -32.7 248 248 A E H > S+ 0 0 3 -102,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.843 110.6 51.8 -60.7 -34.9 40.2 -0.6 -30.3 249 249 A R H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 109.6 49.5 -69.9 -36.4 42.7 -1.2 -33.0 250 250 A F H < S+ 0 0 1 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.928 113.0 46.7 -65.7 -45.1 41.0 1.3 -35.3 251 251 A V H >X S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-1.0 0.934 112.3 50.5 -62.8 -44.3 41.0 3.9 -32.5 252 252 A W H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 3,-0.7 0.882 108.5 51.3 -59.7 -41.4 44.6 3.2 -31.8 253 253 A A H 3< S+ 0 0 0 -4,-2.3 -198,-2.0 1,-0.2 -197,-0.8 0.548 109.7 53.8 -73.6 -5.6 45.5 3.5 -35.5 254 254 A S H <4 S+ 0 0 1 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.603 116.8 33.2-102.2 -16.8 43.7 6.9 -35.3 255 255 A K H << S- 0 0 55 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.2 0.698 87.5-144.0-108.7 -31.9 45.6 8.3 -32.4 256 256 A G < + 0 0 5 -4,-2.6 -204,-2.5 -5,-0.2 -203,-0.1 0.728 39.2 160.7 72.9 19.7 49.0 6.8 -32.9 257 257 A T - 0 0 34 -5,-0.4 -1,-0.1 -206,-0.2 -204,-0.1 -0.202 57.7 -97.0 -64.8 166.6 49.6 6.4 -29.1 258 258 A P S S+ 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.838 100.9 6.8 -56.9 -36.5 52.3 3.9 -28.0 259 259 A T S > S- 0 0 5 1,-0.1 4,-0.6 -119,-0.0 3,-0.4 -0.934 74.2-108.6-144.0 166.2 49.8 1.1 -27.4 260 260 A V H > S+ 0 0 0 -121,-2.6 4,-1.6 -2,-0.3 3,-0.5 0.810 117.6 62.2 -62.5 -30.4 46.1 0.3 -27.8 261 261 A Y H > S+ 0 0 0 1,-0.3 4,-1.7 -122,-0.2 8,-0.3 0.870 101.3 49.0 -64.3 -39.4 45.9 0.6 -24.0 262 262 A D H 4 S+ 0 0 27 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.626 112.6 52.6 -75.7 -13.3 46.8 4.2 -24.1 263 263 A A H < S+ 0 0 4 -4,-0.6 -201,-0.2 -3,-0.5 -2,-0.2 0.768 117.7 29.2 -92.9 -28.5 44.2 4.7 -26.8 264 264 A I H < S+ 0 0 7 -4,-1.6 -2,-0.2 -3,-0.1 -3,-0.1 0.644 136.2 11.6-108.7 -20.8 41.1 3.2 -25.2 265 265 A F X + 0 0 2 -4,-1.7 4,-1.9 -5,-0.2 3,-0.3 -0.189 64.6 151.7-154.0 58.1 41.5 3.7 -21.4 266 266 A P H > S+ 0 0 33 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.827 75.0 61.1 -56.9 -37.4 44.4 6.1 -20.7 267 267 A E H > S+ 0 0 91 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.947 106.1 46.2 -56.8 -49.9 42.7 7.2 -17.5 268 268 A V H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.922 113.3 47.9 -59.1 -49.7 42.9 3.6 -16.1 269 269 A V H X S+ 0 0 2 -4,-1.9 4,-2.3 -8,-0.3 -1,-0.2 0.925 115.3 46.1 -59.7 -43.2 46.6 3.2 -17.2 270 270 A D H X S+ 0 0 49 -4,-2.9 4,-3.5 2,-0.2 5,-0.3 0.963 111.9 50.0 -64.0 -50.4 47.5 6.5 -15.7 271 271 A T H X S+ 0 0 32 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.916 110.8 49.9 -55.0 -46.2 45.6 5.9 -12.4 272 272 A I H >< S+ 0 0 0 -4,-2.5 3,-0.6 -5,-0.2 111,-0.2 0.960 113.6 46.4 -57.5 -50.5 47.3 2.5 -12.0 273 273 A I H >< S+ 0 0 17 -4,-2.3 3,-1.6 1,-0.2 5,-0.4 0.957 110.4 52.1 -56.6 -53.7 50.7 4.1 -12.6 274 274 A D H 3< S+ 0 0 91 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.735 115.7 42.4 -57.1 -24.1 50.0 7.0 -10.2 275 275 A N T << S+ 0 0 66 -4,-1.6 108,-2.6 -3,-0.6 -1,-0.3 -0.117 105.2 72.8-118.2 39.8 49.0 4.6 -7.4 276 276 A S S < S- 0 0 28 -3,-1.6 105,-0.2 106,-0.2 106,-0.1 -0.716 92.8 -93.5-135.9-174.6 51.6 1.8 -7.8 277 277 A N + 0 0 67 103,-1.9 104,-0.1 -2,-0.2 -4,-0.1 0.080 63.2 154.8 -91.5 22.0 55.3 1.2 -7.1 278 278 A V - 0 0 23 -5,-0.4 -2,-0.1 102,-0.2 52,-0.1 -0.307 39.1-147.4 -53.7 127.3 56.2 2.2 -10.7 279 279 A S S S+ 0 0 101 50,-0.3 -1,-0.2 2,-0.0 2,-0.1 0.608 73.4 57.2 -74.3 -15.3 59.9 3.3 -10.6 280 280 A F S S- 0 0 33 49,-0.1 2,-0.4 50,-0.1 50,-0.0 -0.440 79.8-114.5-108.8-175.5 59.4 5.9 -13.4 281 281 A N > - 0 0 89 -2,-0.1 2,-1.1 3,-0.0 3,-1.0 -0.983 12.2-136.0-126.6 134.8 57.3 9.0 -14.1 282 282 A R T 3 S+ 0 0 89 -2,-0.4 -8,-0.0 1,-0.2 3,-0.0 -0.144 103.3 49.4 -79.4 41.3 54.6 9.4 -16.8 283 283 A E T 3 S+ 0 0 147 -2,-1.1 -1,-0.2 0, 0.0 2,-0.1 0.379 76.1 115.2-146.7 -24.9 55.8 12.9 -17.6 284 284 A D <> - 0 0 71 -3,-1.0 4,-2.1 1,-0.2 5,-0.1 -0.353 58.7-146.5 -58.8 127.9 59.6 12.4 -18.0 285 285 A E H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.811 99.5 58.4 -65.3 -28.9 60.6 13.1 -21.6 286 286 A R H > S+ 0 0 161 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.971 107.3 42.9 -63.7 -56.4 63.3 10.4 -21.1 287 287 A V H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 111.8 56.1 -57.0 -42.9 60.8 7.6 -20.3 288 288 A R H X S+ 0 0 152 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.877 106.3 50.5 -58.5 -40.0 58.5 8.8 -23.1 289 289 A R H X S+ 0 0 106 -4,-1.8 4,-1.6 -3,-0.3 -1,-0.2 0.852 111.8 48.0 -67.4 -36.1 61.3 8.4 -25.6 290 290 A I H X S+ 0 0 13 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.961 112.4 46.2 -69.8 -53.1 62.1 4.9 -24.4 291 291 A V H X S+ 0 0 20 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.912 110.5 54.4 -56.6 -46.0 58.5 3.6 -24.4 292 292 A A H X S+ 0 0 28 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.950 111.5 42.4 -54.7 -55.2 57.8 5.1 -27.9 293 293 A E H X S+ 0 0 57 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.827 118.3 47.1 -63.1 -32.0 60.7 3.4 -29.6 294 294 A S H >X S+ 0 0 8 -4,-2.1 4,-0.8 1,-0.2 3,-0.7 0.857 106.2 58.4 -76.8 -35.5 60.0 0.2 -27.7 295 295 A S H >< S+ 0 0 7 -4,-3.4 3,-0.6 1,-0.2 4,-0.5 0.866 97.9 61.2 -61.1 -37.7 56.3 0.4 -28.5 296 296 A K H 3< S+ 0 0 67 -4,-1.7 -248,-2.0 1,-0.2 -1,-0.2 0.815 112.1 36.8 -60.9 -30.9 57.1 0.4 -32.2 297 297 A L H XX>S+ 0 0 29 -3,-0.7 3,-1.9 -4,-0.6 4,-1.7 0.491 87.3 101.4 -99.8 -3.8 58.7 -3.0 -31.9 298 298 A A H <5S+ 0 0 10 -4,-1.7 3,-1.4 1,-0.3 -3,-0.2 0.713 110.0 69.3 -66.6 -20.6 59.3 -9.0 -29.7 302 302 A G T 3< + 0 0 76 -2,-0.3 3,-0.9 4,-0.0 2,-0.4 -0.995 54.4 3.3-143.5 147.1 59.8 -15.7 -25.5 306 306 A G T 3> S- 0 0 50 -2,-0.3 4,-0.6 1,-0.2 -2,-0.1 -0.678 130.4 -9.2 86.4-132.0 63.1 -16.9 -24.3 307 307 A E H 3> S+ 0 0 114 -2,-0.4 4,-1.0 2,-0.1 -1,-0.2 0.673 128.4 74.6 -75.8 -17.0 66.2 -16.3 -26.4 308 308 A R H X> S+ 0 0 133 -3,-0.9 3,-1.4 1,-0.2 4,-0.8 0.989 107.8 22.7 -56.2 -80.5 63.8 -15.2 -29.1 309 309 A L H 3> S+ 0 0 15 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.606 109.4 84.3 -65.7 -10.6 62.7 -11.8 -27.9 310 310 A N H 3X S+ 0 0 96 -4,-0.6 4,-0.5 1,-0.2 -1,-0.3 0.876 93.2 42.2 -60.0 -39.4 65.9 -11.7 -25.9 311 311 A Q H XX S+ 0 0 115 -3,-1.4 4,-2.0 -4,-1.0 3,-0.9 0.889 112.0 50.8 -76.7 -41.4 67.8 -10.5 -29.0 312 312 A L H 3X S+ 0 0 32 -4,-0.8 4,-2.4 1,-0.3 5,-0.3 0.838 102.4 64.2 -64.8 -29.8 65.3 -7.9 -30.2 313 313 A R H 3X S+ 0 0 20 -4,-2.0 4,-1.1 1,-0.2 -1,-0.3 0.839 105.9 45.0 -59.4 -32.0 65.3 -6.7 -26.6 314 314 A K H - 0 0 57 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.349 38.6-101.8 -87.2 171.2 71.0 -0.9 -21.5 324 324 A V H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.856 121.7 56.0 -57.9 -38.1 68.7 -3.9 -21.8 325 325 A E H > S+ 0 0 151 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.911 107.3 46.2 -62.7 -46.9 68.3 -3.7 -18.0 326 326 A E H >4 S+ 0 0 92 2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.916 111.1 54.0 -63.3 -41.7 67.1 -0.1 -18.0 327 327 A L H >X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.3 3,-1.7 0.948 110.1 46.1 -54.8 -51.2 64.7 -0.9 -20.9 328 328 A E H 3X S+ 0 0 72 -4,-2.5 4,-0.7 1,-0.3 -1,-0.3 0.600 98.0 75.4 -68.2 -10.5 63.2 -3.8 -18.9 329 329 A G H << S+ 0 0 23 -3,-0.9 -50,-0.3 -4,-0.6 -1,-0.3 0.602 114.4 18.9 -77.0 -11.1 63.1 -1.3 -15.9 330 330 A I H <> S+ 0 0 7 -3,-1.7 4,-2.4 -4,-0.4 -2,-0.2 0.662 121.4 55.7-123.2 -46.6 60.1 0.3 -17.6 331 331 A V H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 -3,-0.2 0.909 108.4 48.6 -58.3 -46.6 58.7 -2.2 -20.2 332 332 A V H X S+ 0 0 45 -4,-0.7 4,-1.0 2,-0.2 -1,-0.2 0.919 113.4 45.2 -63.0 -47.0 58.2 -5.0 -17.7 333 333 A P H >> S+ 0 0 29 0, 0.0 4,-1.7 0, 0.0 3,-0.7 0.917 114.3 51.1 -65.2 -37.3 56.4 -2.9 -15.1 334 334 A L H 3X S+ 0 0 12 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.876 99.8 62.7 -64.2 -37.7 54.3 -1.4 -17.9 335 335 A E H 3X S+ 0 0 33 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.794 108.2 45.0 -57.1 -28.5 53.4 -4.8 -19.2 336 336 A K H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.7 0.951 113.8 51.2 -66.6 -49.7 42.9 -4.7 -19.6 343 343 A H H 3X S+ 0 0 0 -4,-3.8 4,-1.7 1,-0.3 -1,-0.2 0.824 105.4 54.5 -59.1 -36.7 41.9 -7.4 -17.1 344 344 A T H 3X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.802 108.6 51.5 -69.6 -25.2 39.7 -5.1 -15.0 345 345 A R H S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 5,-0.6 0.883 99.7 61.6 -68.4 -39.2 36.0 -8.3 -15.5 348 348 A L H X5S+ 0 0 1 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.923 112.7 36.5 -50.8 -49.5 33.5 -5.4 -16.0 349 349 A F H X5S+ 0 0 1 -4,-1.3 4,-1.8 2,-0.2 -263,-0.3 0.875 116.3 50.4 -75.6 -41.0 31.9 -7.4 -18.8 350 350 A X H <>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 -2,-0.2 0.946 122.1 33.9 -62.1 -48.9 32.1 -10.9 -17.4 351 351 A L H ><5S+ 0 0 1 -4,-2.8 3,-1.7 3,-0.2 -2,-0.2 0.914 117.7 52.7 -72.5 -44.1 30.6 -9.8 -14.1 352 352 A G H 3< S- 0 0 37 367,-0.3 4,-1.2 366,-0.0 3,-0.4 -0.879 96.9 -8.0-136.2 165.2 33.7 -24.8 -12.7 361 361 A G H >> S- 0 0 22 -2,-0.3 3,-1.6 1,-0.2 4,-0.6 0.074 117.7 -25.5 46.8-158.0 32.2 -23.8 -16.0 362 362 A A H >> S+ 0 0 15 1,-0.3 4,-1.5 2,-0.2 3,-1.3 0.845 132.7 69.6 -54.0 -35.9 32.3 -20.2 -17.3 363 363 A G H 3> S+ 0 0 9 -3,-0.4 4,-2.7 1,-0.3 -5,-1.1 0.826 91.1 61.3 -52.3 -34.3 32.5 -19.0 -13.6 364 364 A Y H S+ 0 0 14 -4,-2.7 5,-3.3 1,-0.2 4,-0.5 0.870 110.5 49.8 -64.0 -36.8 47.5 -5.4 -8.3 378 378 A E H ><5S+ 0 0 90 -4,-1.4 3,-1.1 -5,-0.2 -2,-0.2 0.946 108.2 51.0 -68.7 -47.1 49.6 -6.9 -5.5 379 379 A E H 3<5S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.865 117.4 40.5 -59.6 -35.0 52.9 -6.9 -7.6 380 380 A L T 3<5S- 0 0 5 -4,-1.9 -103,-1.9 -5,-0.1 -1,-0.3 0.509 107.6-128.4 -89.8 -5.5 52.3 -3.2 -8.4 381 381 A E T < 5 - 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