==== 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 02-MAR-01 1I6K . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR P.RETAILLEAU,C.W.CARTER . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 1 0.3 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 . 11 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 45.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 1 1 3 0 0 2 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 141 0, 0.0 32,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 161.2 75.2 22.2 50.3 2 2 A K - 0 0 119 30,-0.3 32,-2.9 1,-0.1 2,-0.4 -0.056 360.0-119.8 -68.8 169.4 71.7 23.4 50.4 3 3 A T E -a 34 0A 15 134,-0.2 137,-2.5 30,-0.2 136,-1.8 -0.935 18.7-164.3-122.3 138.3 68.6 21.3 49.9 4 4 A I E -ab 35 140A 0 30,-3.2 32,-2.2 -2,-0.4 2,-0.4 -0.950 6.3-179.2-119.5 140.6 65.8 21.5 47.5 5 5 A F E +a 36 0A 4 135,-1.6 2,-0.3 -2,-0.4 32,-0.2 -1.000 9.4 160.6-133.4 138.2 62.4 19.9 47.6 6 6 A S E -a 37 0A 2 30,-2.0 32,-2.4 -2,-0.4 2,-0.3 -0.995 14.9-159.5-157.1 148.5 59.6 20.0 45.0 7 7 A G E -a 38 0A 31 -2,-0.3 2,-0.3 30,-0.2 32,-0.2 -0.937 7.1-169.1-128.2 158.3 56.6 18.1 44.1 8 8 A I E -a 39 0A 13 30,-2.0 32,-1.7 -2,-0.3 36,-0.1 -0.996 28.4-120.6-141.2 136.0 54.2 17.6 41.2 9 9 A Q - 0 0 37 -2,-0.3 2,-0.4 30,-0.2 32,-0.1 -0.569 29.2-118.9 -74.3 139.1 50.8 15.8 41.3 10 10 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 48,-0.2 -0.614 53.6 153.0 -75.8 124.8 50.6 12.8 39.0 11 11 A S - 0 0 17 -2,-0.4 3,-0.1 46,-0.3 50,-0.0 -0.960 60.7-100.3-150.6 171.7 47.8 13.6 36.5 12 12 A G S S+ 0 0 61 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.743 110.6 48.7 -64.2 -24.7 46.4 13.0 33.1 13 13 A V + 0 0 22 192,-0.1 2,-0.6 193,-0.0 -1,-0.2 -0.930 55.8 176.3-127.9 112.8 47.8 16.3 32.0 14 14 A I - 0 0 11 -2,-0.5 192,-2.4 -3,-0.1 193,-0.3 -0.971 29.3-157.3-107.3 118.5 51.3 17.5 32.6 15 15 A T B > -E 205 0B 2 -2,-0.6 4,-2.1 190,-0.3 3,-0.2 -0.449 33.9-111.6 -96.6 168.7 51.6 21.0 30.8 16 16 A I H > S+ 0 0 3 188,-2.3 4,-2.6 1,-0.2 5,-0.2 0.717 120.1 64.5 -70.8 -16.7 54.3 23.2 29.4 17 17 A G H > S+ 0 0 16 187,-0.3 4,-2.8 2,-0.2 5,-0.3 0.913 103.2 46.9 -66.3 -43.3 53.3 25.5 32.3 18 18 A N H >>S+ 0 0 34 -3,-0.2 5,-1.7 1,-0.2 4,-1.6 0.915 115.1 48.4 -62.2 -42.2 54.5 22.7 34.7 19 19 A Y H <>S+ 0 0 37 -4,-2.1 5,-2.8 3,-0.2 6,-0.3 0.958 117.3 37.6 -62.5 -53.2 57.6 22.4 32.6 20 20 A I H <5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.882 122.1 42.3 -69.3 -43.2 58.5 26.1 32.4 21 21 A G H <5S- 0 0 4 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.773 137.7 -4.6 -76.0 -27.3 57.5 27.0 36.0 22 22 A A T >X5S+ 0 0 12 -4,-1.6 4,-1.9 -5,-0.3 3,-1.2 0.653 120.1 55.1-130.0 -70.0 59.0 24.0 37.6 23 23 A L H 3> S+ 0 0 3 -3,-1.2 4,-2.5 -6,-0.3 -1,-0.2 0.899 106.8 55.6 -67.1 -43.2 64.2 24.7 37.4 26 26 A F H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.945 111.0 43.3 -56.6 -50.6 64.7 21.1 38.7 27 27 A V H < S+ 0 0 50 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.882 113.8 52.0 -63.6 -37.3 67.1 20.3 35.9 28 28 A E H < S+ 0 0 107 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.2 0.891 118.8 34.7 -65.1 -41.5 68.9 23.7 36.2 29 29 A L H >X S+ 0 0 9 -4,-2.5 3,-1.1 1,-0.2 4,-0.9 0.619 88.4 96.5 -92.0 -19.4 69.5 23.3 39.9 30 30 A Q T 3< S+ 0 0 19 -4,-2.0 5,-0.2 1,-0.2 -1,-0.2 0.708 84.3 48.2 -48.2 -31.5 70.1 19.5 40.3 31 31 A H T 34 S+ 0 0 120 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.792 111.9 48.3 -83.3 -23.4 73.9 19.6 40.3 32 32 A E T <4 S+ 0 0 113 -3,-1.1 -30,-0.3 -4,-0.2 2,-0.3 0.485 113.0 40.3 -90.9 -11.8 74.3 22.4 42.8 33 33 A Y S < S- 0 0 58 -4,-0.9 2,-0.6 -3,-0.1 -30,-0.2 -0.914 85.6-100.6-136.1 163.2 71.9 21.2 45.6 34 34 A N E -a 3 0A 69 -32,-2.9 -30,-3.2 -2,-0.3 2,-0.4 -0.798 55.6-156.0 -81.0 124.8 70.8 18.1 47.4 35 35 A C E -ac 4 75A 4 -2,-0.6 41,-2.7 39,-0.5 2,-0.5 -0.929 28.1-177.2-121.3 135.9 67.5 17.5 45.6 36 36 A Y E -ac 5 76A 14 -32,-2.2 -30,-2.0 -2,-0.4 2,-0.5 -0.995 10.7-177.1-126.9 115.6 64.3 15.7 46.4 37 37 A F E -ac 6 77A 0 39,-3.2 41,-2.3 -2,-0.5 2,-0.4 -0.983 13.0-161.3-120.5 125.9 61.7 15.6 43.6 38 38 A C E -ac 7 78A 0 -32,-2.4 -30,-2.0 -2,-0.5 2,-0.9 -0.870 28.8-144.1-119.9 144.7 58.4 14.0 44.4 39 39 A I E -ac 8 79A 0 39,-2.4 41,-2.4 -2,-0.4 2,-2.0 -0.882 30.1-148.9 -99.3 100.8 55.4 12.5 42.7 40 40 A V > + 0 0 5 -32,-1.7 4,-2.3 -2,-0.9 39,-0.1 -0.441 36.0 155.2 -76.6 64.5 52.7 13.6 45.2 41 41 A D H > S+ 0 0 18 -2,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.873 72.2 55.3 -64.3 -35.4 50.2 10.8 44.9 42 42 A Q H 4 S+ 0 0 53 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.887 110.0 47.4 -66.4 -32.0 48.7 11.4 48.3 43 43 A H H >4 S+ 0 0 3 1,-0.2 3,-2.1 2,-0.2 -2,-0.2 0.906 105.1 61.4 -71.8 -37.0 48.0 15.0 47.3 44 44 A A H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.894 97.1 59.4 -55.0 -40.3 46.6 13.6 44.0 45 45 A I T 3< S+ 0 0 105 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.422 73.1 94.7 -73.1 5.3 43.9 11.8 45.9 46 46 A T T < S+ 0 0 17 -3,-2.1 76,-0.4 75,-0.2 2,-0.3 0.692 95.9 38.6 -66.6 -16.6 42.6 15.0 47.5 47 47 A V S < S- 0 0 64 -3,-1.4 0, 0.0 -4,-0.2 0, 0.0 -0.921 117.0 -80.4-124.9 154.5 40.1 14.8 44.6 48 48 A W - 0 0 206 -2,-0.3 2,-0.4 1,-0.0 -2,-0.1 -0.277 50.0-167.4 -55.7 138.0 38.7 11.5 43.4 49 49 A Q - 0 0 41 -4,-0.1 -1,-0.0 -3,-0.0 3,-0.0 -0.993 27.3-120.0-130.1 134.9 41.0 9.5 41.1 50 50 A D > - 0 0 62 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.585 30.2-136.2 -67.2 128.8 40.3 6.5 39.0 51 51 A P H > S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.887 100.0 48.7 -59.7 -40.2 42.7 4.0 40.5 52 52 A H H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.936 113.5 46.6 -66.2 -44.1 43.9 2.6 37.2 53 53 A E H > S+ 0 0 78 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.895 110.7 53.9 -64.1 -39.4 44.6 6.1 35.8 54 54 A L H X S+ 0 0 24 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.946 106.5 49.1 -61.8 -49.0 46.3 7.1 38.9 55 55 A R H X S+ 0 0 184 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.916 116.5 44.7 -56.0 -42.9 48.7 4.2 38.9 56 56 A Q H X S+ 0 0 56 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.930 110.5 53.0 -66.9 -44.1 49.5 5.0 35.3 57 57 A N H X S+ 0 0 6 -4,-3.2 4,-2.6 1,-0.2 -46,-0.3 0.824 105.8 54.8 -62.2 -33.7 49.8 8.7 35.9 58 58 A I H X S+ 0 0 17 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.943 111.8 42.6 -66.9 -41.4 52.3 8.1 38.6 59 59 A R H X S+ 0 0 61 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.926 114.1 54.2 -67.6 -40.7 54.5 6.1 36.2 60 60 A R H X S+ 0 0 80 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.934 108.8 46.6 -59.0 -45.4 53.9 8.7 33.5 61 61 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.889 110.7 51.7 -65.4 -39.4 55.1 11.5 35.7 62 62 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.910 111.4 49.9 -60.2 -48.4 58.2 9.5 36.9 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.894 110.7 48.7 -57.3 -43.7 59.0 9.0 33.2 64 64 A L H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 6,-0.2 0.888 107.7 54.6 -65.4 -39.9 58.6 12.7 32.4 65 65 A Y H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.4 0.950 115.6 38.3 -59.1 -45.5 60.8 13.7 35.3 66 66 A L H ><5S+ 0 0 7 -4,-2.0 3,-1.2 3,-0.2 -2,-0.2 0.909 113.7 57.4 -73.5 -34.8 63.6 11.5 33.9 67 67 A A H 3<5S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.859 102.2 54.0 -62.8 -37.4 62.7 12.4 30.3 68 68 A V T 3<5S- 0 0 9 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.626 132.0 -92.2 -73.4 -12.5 63.2 16.1 31.0 69 69 A G T < 5 + 0 0 31 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.507 66.3 158.5 117.1 8.2 66.7 15.3 32.3 70 70 A I < - 0 0 4 -5,-2.2 -1,-0.3 -6,-0.2 -43,-0.1 -0.492 34.6-145.4 -63.4 125.1 66.3 14.7 36.1 71 71 A D >> - 0 0 63 -2,-0.3 3,-2.2 1,-0.1 4,-1.6 -0.869 10.2-150.4-103.3 118.0 69.4 12.6 36.9 72 72 A P T 34 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.584 98.0 58.2 -61.2 -13.9 69.0 9.9 39.6 73 73 A T T 34 S+ 0 0 109 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.595 115.8 35.2 -88.6 -14.2 72.7 10.3 40.5 74 74 A Q T <4 S+ 0 0 60 -3,-2.2 -39,-0.5 1,-0.2 2,-0.3 0.524 125.3 30.5-107.3 -23.5 72.2 14.0 41.3 75 75 A A E < -c 35 0A 6 -4,-1.6 2,-0.7 -41,-0.1 -39,-0.2 -0.954 69.9-120.7-142.8 159.2 68.7 13.8 42.7 76 76 A T E -c 36 0A 19 -41,-2.7 -39,-3.2 -2,-0.3 2,-0.5 -0.912 28.0-171.3-104.8 114.5 66.3 11.7 44.6 77 77 A L E +c 37 0A 2 -2,-0.7 226,-0.3 222,-0.3 2,-0.3 -0.906 21.2 147.9-107.5 124.8 63.1 11.0 42.7 78 78 A F E -c 38 0A 0 -41,-2.3 -39,-2.4 -2,-0.5 2,-0.5 -0.986 47.8-102.2-154.1 169.8 60.4 9.3 44.6 79 79 A I E > -c 39 0A 12 -2,-0.3 3,-1.7 221,-0.2 4,-0.2 -0.795 27.5-137.5-100.2 124.0 56.7 8.7 45.2 80 80 A Q G > S+ 0 0 0 -41,-2.4 3,-2.0 -2,-0.5 6,-0.3 0.884 101.3 54.5 -45.4 -53.1 55.2 10.5 48.2 81 81 A S G 3 S+ 0 0 53 -42,-0.4 -1,-0.3 1,-0.3 -41,-0.1 0.696 97.2 65.2 -59.1 -20.9 53.1 7.4 49.4 82 82 A E G < S+ 0 0 83 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.445 94.2 64.3 -85.0 0.4 56.2 5.2 49.5 83 83 A V X - 0 0 0 -3,-2.0 3,-2.2 -4,-0.2 4,-0.4 -0.870 69.2-165.6-123.0 92.9 57.6 7.3 52.4 84 84 A P T >> S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 3,-0.9 0.784 78.1 79.0 -51.3 -29.5 55.3 6.9 55.4 85 85 A A H 3> S+ 0 0 1 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.793 83.3 62.4 -51.7 -31.5 56.9 9.9 57.1 86 86 A H H <> S+ 0 0 0 -3,-2.2 4,-2.0 -6,-0.3 -1,-0.3 0.948 106.7 41.8 -63.6 -43.0 55.0 12.3 55.0 87 87 A A H <> S+ 0 0 44 -3,-0.9 4,-1.9 -4,-0.4 -1,-0.2 0.882 116.6 50.9 -67.6 -39.0 51.6 11.1 56.3 88 88 A Q H X S+ 0 0 81 -4,-2.0 4,-1.9 1,-0.2 3,-0.2 0.968 113.8 43.2 -63.0 -53.7 53.2 11.0 59.9 89 89 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.808 109.8 58.0 -58.8 -38.0 54.6 14.5 59.7 90 90 A A H X S+ 0 0 6 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.893 104.6 51.0 -60.8 -41.7 51.4 15.8 58.1 91 91 A W H X S+ 0 0 157 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.960 110.8 48.4 -61.3 -49.5 49.3 14.6 61.1 92 92 A X H X S+ 0 0 6 -4,-1.9 4,-0.6 1,-0.2 3,-0.3 0.934 114.6 45.7 -58.2 -41.2 51.6 16.4 63.5 93 93 A L H >X S+ 0 0 1 -4,-2.4 4,-1.1 1,-0.2 3,-0.8 0.843 106.2 58.3 -71.7 -29.6 51.5 19.6 61.5 94 94 A Q H 3< S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 101.7 59.2 -65.0 -32.2 47.7 19.3 61.1 95 95 A C H 3< S+ 0 0 72 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.681 111.0 39.5 -72.6 -17.5 47.5 19.4 64.9 96 96 A I H << S+ 0 0 2 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 0.552 97.6 87.8-108.1 -10.2 49.3 22.8 65.0 97 97 A V S < S- 0 0 15 -4,-1.1 2,-0.3 -3,-0.1 3,-0.0 -0.660 75.6-125.1 -87.9 146.2 47.6 24.5 62.0 98 98 A Y >> - 0 0 119 -2,-0.3 4,-1.4 1,-0.1 3,-0.6 -0.677 13.4-125.1 -89.8 148.4 44.4 26.4 62.6 99 99 A I H 3> S+ 0 0 107 -2,-0.3 4,-2.6 1,-0.3 3,-0.2 0.880 111.9 55.6 -58.0 -40.1 41.3 25.7 60.6 100 100 A G H 3> S+ 0 0 40 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.856 103.1 55.6 -61.5 -36.8 41.0 29.4 59.6 101 101 A E H <4 S+ 0 0 13 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 111.6 43.4 -63.4 -39.6 44.6 29.2 58.1 102 102 A L H >< S+ 0 0 8 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.868 109.6 57.3 -71.6 -41.1 43.6 26.3 55.9 103 103 A E H 3< S+ 0 0 102 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.754 101.5 55.8 -63.5 -26.2 40.3 27.9 54.9 104 104 A R T 3< S+ 0 0 132 -4,-1.3 -1,-0.3 -5,-0.2 2,-0.2 0.420 76.2 118.7 -88.7 0.5 42.0 31.0 53.5 105 105 A X <> - 0 0 3 -3,-1.4 4,-2.2 1,-0.2 5,-0.1 -0.474 60.6-145.2 -68.2 132.3 44.2 29.1 51.1 106 106 A T H > S+ 0 0 58 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.893 98.7 57.7 -68.5 -36.4 43.3 30.2 47.6 107 107 A Q H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 110.1 44.8 -58.1 -44.9 44.0 26.7 46.2 108 108 A F H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.922 112.3 50.3 -65.0 -46.4 41.4 25.4 48.6 109 109 A K H X S+ 0 0 119 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.924 115.2 44.1 -60.2 -39.3 38.9 28.1 47.9 110 110 A E H >< S+ 0 0 128 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.922 114.8 46.0 -71.1 -46.1 39.2 27.5 44.1 111 111 A K H 3< S+ 0 0 73 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.719 119.5 42.2 -70.4 -23.1 39.1 23.8 44.2 112 112 A S H >< S+ 0 0 19 -4,-1.7 3,-0.9 -5,-0.2 -1,-0.2 0.463 82.9 130.9-102.1 -1.6 36.2 23.7 46.5 113 113 A A T << S+ 0 0 71 -3,-0.6 3,-0.1 -4,-0.5 -3,-0.1 -0.216 78.2 3.0 -54.0 127.8 34.3 26.6 44.8 114 114 A G T 3 S+ 0 0 92 1,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.938 98.4 137.9 64.7 40.1 30.6 25.7 44.1 115 115 A K < - 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0 0 90 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.402 55.6 -12.7 -68.8 158.6 54.8 11.4 71.2 325 325 A G 0 0 67 -2,-0.1 0, 0.0 -5,-0.0 0, 0.0 -0.300 360.0 360.0 60.0-131.8 55.6 7.8 71.7 326 326 A R 0 0 302 -2,-0.1 -2,-0.1 0, 0.0 -3,-0.1 -0.870 360.0 360.0-134.0 360.0 58.7 6.8 73.8