==== 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 22-APR-05 1ZH0 . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR J.M.TURNER,J.GRAZIANO,G.SPRAGGON,P.G.SCHULTZ . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 0 0 2 0 2 3 2 1 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 M 0 0 156 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.5 94.1 59.3 8.3 2 2 A D > - 0 0 99 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.146 360.0 -84.2 -63.7 178.8 93.1 61.7 5.4 3 3 A E H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.911 130.4 50.7 -60.8 -47.8 89.7 60.7 3.7 4 4 A F H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.865 111.6 48.0 -56.0 -41.2 91.3 58.2 1.3 5 5 A E H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 109.6 52.1 -73.1 -36.7 93.1 56.4 4.2 6 6 A M H < S+ 0 0 29 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.862 115.1 43.4 -61.5 -37.7 90.0 56.3 6.3 7 7 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.946 113.8 49.9 -74.1 -45.4 88.2 54.7 3.3 8 8 A K H >< S+ 0 0 72 -4,-3.1 3,-1.9 -5,-0.2 -2,-0.2 0.866 86.5 113.8 -57.2 -36.8 91.2 52.4 2.6 9 9 A R T 3< S- 0 0 91 -4,-2.4 3,-0.1 1,-0.3 -3,-0.0 -0.047 89.3 -2.8 -51.1 128.2 91.3 51.2 6.2 10 10 A N T 3 S+ 0 0 36 1,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.682 99.8 130.0 63.4 22.4 90.4 47.5 6.8 11 11 A T < - 0 0 26 -3,-1.9 -1,-0.3 182,-0.2 182,-0.3 -0.751 54.3-146.5-101.3 155.7 89.6 47.0 3.1 12 12 A S S S- 0 0 60 180,-2.8 2,-0.3 1,-0.3 181,-0.2 0.811 76.9 -8.1 -87.5 -32.7 91.1 44.1 1.1 13 13 A E E -A 192 0A 46 179,-1.6 179,-3.6 2,-0.0 2,-0.4 -0.984 48.7-153.5-163.3 152.2 91.3 45.9 -2.1 14 14 A I E > -A 191 0A 18 -2,-0.3 3,-0.7 177,-0.2 2,-0.6 -0.986 25.7-132.8-128.5 121.4 90.3 49.1 -4.0 15 15 A I E 3 S-A 190 0A 26 175,-3.5 175,-2.6 -2,-0.4 -2,-0.0 -0.900 92.3 -3.7-114.9 99.3 89.9 49.0 -7.8 16 16 A S T 3> - 0 0 37 -2,-0.6 4,-2.1 173,-0.2 -1,-0.4 0.729 59.3-166.6-115.8 160.8 91.5 51.4 -8.4 17 17 A E H <> S+ 0 0 60 -3,-0.7 4,-2.0 1,-0.2 -2,-0.1 0.780 100.0 50.8 -61.1 -28.3 93.0 53.6 -5.8 18 18 A E H > S+ 0 0 146 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.795 107.9 50.7 -88.0 -28.0 93.7 56.3 -8.4 19 19 A E H > S+ 0 0 42 2,-0.2 4,-2.2 3,-0.1 -2,-0.2 0.882 110.7 53.3 -63.5 -37.2 90.1 56.1 -9.7 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.941 105.8 49.8 -64.3 -50.6 89.1 56.6 -6.0 21 21 A R H X S+ 0 0 91 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.926 108.9 54.2 -54.3 -42.3 91.2 59.7 -5.5 22 22 A E H >X S+ 0 0 139 -4,-1.5 3,-0.8 1,-0.2 4,-0.5 0.944 110.5 46.7 -56.2 -46.9 89.6 61.1 -8.7 23 23 A V H >< S+ 0 0 11 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.868 103.8 60.8 -61.7 -39.3 86.2 60.5 -7.2 24 24 A L H 3< S+ 0 0 40 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.769 95.9 63.9 -61.6 -23.9 87.1 62.1 -3.8 25 25 A K H << S+ 0 0 183 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.735 89.3 82.7 -75.0 -25.3 87.8 65.3 -5.7 26 26 A K S << S- 0 0 102 -3,-1.2 3,-0.1 -4,-0.5 -3,-0.0 -0.439 73.4-141.6 -71.9 151.6 84.2 65.6 -6.7 27 27 A D S S+ 0 0 145 1,-0.2 2,-0.7 -2,-0.1 -1,-0.1 0.922 90.6 50.5 -72.4 -57.3 81.6 67.1 -4.4 28 28 A E S S+ 0 0 154 32,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.856 72.7 160.0 -90.9 115.8 78.7 64.9 -5.1 29 29 A K E -b 60 0A 20 -2,-0.7 32,-2.6 30,-0.6 2,-0.3 -0.976 19.2-161.0-135.4 146.8 79.9 61.3 -4.9 30 30 A S E -b 61 0A 13 -2,-0.3 135,-2.1 30,-0.3 136,-1.7 -0.994 3.3-164.0-138.6 143.2 77.7 58.2 -4.4 31 31 A A E -bc 62 166A 0 30,-2.5 32,-2.9 -2,-0.3 2,-0.4 -0.978 6.9-160.5-132.0 133.3 78.5 54.6 -3.2 32 32 A L E +bc 63 167A 7 134,-2.5 136,-2.9 -2,-0.4 2,-0.3 -0.904 10.5 177.7-110.6 141.6 76.4 51.5 -3.6 33 33 A I E -bc 64 168A 0 30,-2.3 32,-2.9 -2,-0.4 2,-0.4 -0.987 13.9-154.1-135.3 147.3 76.3 48.2 -1.8 34 34 A G E -b 65 0A 5 134,-0.5 2,-0.4 -2,-0.3 32,-0.2 -0.950 8.4-170.7-116.0 144.2 73.9 45.4 -2.4 35 35 A F E -b 66 0A 8 30,-2.5 32,-2.1 -2,-0.4 36,-0.1 -0.987 27.9-130.3-133.0 128.6 72.8 42.7 -0.0 36 36 A E - 0 0 20 -2,-0.4 32,-0.1 30,-0.2 30,-0.0 -0.588 56.3-100.7 -58.1 121.1 70.8 39.5 -0.6 37 37 A P - 0 0 11 0, 0.0 2,-0.4 0, 0.0 49,-0.2 -0.303 44.3-155.4 -55.5 134.8 68.5 40.2 2.3 38 38 A S - 0 0 16 47,-0.2 51,-0.2 1,-0.1 -3,-0.0 -0.913 19.7-137.3-115.5 137.3 69.5 38.0 5.3 39 39 A G S S+ 0 0 44 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.885 97.9 35.4 -57.4 -42.4 67.3 36.9 8.2 40 40 A K S S- 0 0 87 -3,-0.1 2,-0.5 175,-0.0 167,-0.2 -0.945 78.6-144.1-112.3 137.0 70.0 37.7 10.7 41 41 A I + 0 0 0 -2,-0.4 174,-2.2 166,-0.0 175,-0.4 -0.917 33.1 178.2 -99.7 123.4 72.3 40.6 10.3 42 42 A H B > -F 214 0B 13 -2,-0.5 4,-2.4 172,-0.3 172,-0.2 -0.299 46.5 -78.0-121.0-171.8 75.7 39.6 11.5 43 43 A L H > S+ 0 0 0 170,-1.1 4,-3.3 2,-0.2 5,-0.2 0.870 124.1 61.2 -64.7 -35.7 79.3 40.9 12.0 44 44 A G H > S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.927 109.5 41.0 -52.5 -48.6 80.0 40.3 8.2 45 45 A H H > S+ 0 0 18 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.919 112.7 55.3 -64.2 -42.9 77.2 42.7 7.3 46 46 A Y H X S+ 0 0 24 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.910 103.5 55.7 -59.4 -40.5 78.3 45.1 10.1 47 47 A L H X S+ 0 0 7 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.949 111.8 43.3 -53.7 -49.3 81.9 45.2 8.6 48 48 A Q H X S+ 0 0 23 -4,-1.5 4,-1.8 1,-0.2 3,-0.3 0.911 112.3 51.2 -67.5 -40.8 80.5 46.3 5.3 49 49 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.897 105.0 58.1 -64.7 -36.2 78.1 48.8 6.8 50 50 A K H X S+ 0 0 42 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.890 106.6 48.6 -57.4 -39.2 80.9 50.3 8.8 51 51 A K H X S+ 0 0 6 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.843 107.6 54.1 -68.8 -37.2 82.7 50.9 5.5 52 52 A M H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.924 107.7 51.8 -63.0 -38.6 79.6 52.5 4.0 53 53 A I H X S+ 0 0 31 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.894 105.2 54.6 -67.0 -39.0 79.7 54.8 7.1 54 54 A D H X S+ 0 0 24 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.947 110.8 45.7 -52.2 -49.0 83.3 55.7 6.3 55 55 A L H <>S+ 0 0 0 -4,-2.0 5,-2.1 2,-0.2 4,-0.4 0.921 110.9 53.0 -62.6 -43.7 82.2 56.7 2.8 56 56 A Q H ><5S+ 0 0 49 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.912 108.8 49.9 -55.1 -45.8 79.2 58.6 4.3 57 57 A N H 3<5S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.834 106.1 56.6 -65.2 -31.0 81.7 60.5 6.5 58 58 A A T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.450 130.3 -95.9 -80.5 -3.5 83.8 61.2 3.5 59 59 A G T < 5S+ 0 0 38 -3,-1.4 -30,-0.6 -4,-0.4 2,-0.3 0.674 75.8 141.5 103.0 19.1 80.7 62.9 1.9 60 60 A F E < -b 29 0A 5 -5,-2.1 2,-0.5 -8,-0.1 -1,-0.3 -0.708 52.0-126.9 -85.9 143.1 79.3 60.1 -0.3 61 61 A D E -b 30 0A 93 -32,-2.6 -30,-2.5 -2,-0.3 2,-0.5 -0.786 32.6-139.2 -81.2 131.6 75.6 59.6 -0.6 62 62 A I E -b 31 0A 5 37,-0.5 39,-2.6 -2,-0.5 2,-0.5 -0.833 17.8-168.5-102.5 130.4 75.0 55.9 0.2 63 63 A I E -bd 32 101A 43 -32,-2.9 -30,-2.3 -2,-0.5 2,-0.6 -0.976 4.0-162.6-113.6 127.0 72.7 53.6 -1.7 64 64 A I E -bd 33 102A 0 37,-3.2 39,-2.3 -2,-0.5 2,-0.6 -0.915 7.4-154.0-106.0 117.0 71.8 50.2 -0.3 65 65 A L E -bd 34 103A 3 -32,-2.9 -30,-2.5 -2,-0.6 2,-0.9 -0.800 5.4-151.0 -88.0 120.5 70.3 47.8 -2.8 66 66 A L E -bd 35 104A 0 37,-3.4 39,-2.6 -2,-0.6 2,-1.9 -0.843 16.1-155.1 -89.3 104.0 68.1 45.2 -1.1 67 67 A A > + 0 0 0 -32,-2.1 4,-1.9 -2,-0.9 5,-0.1 -0.462 35.1 151.9 -92.3 63.6 68.7 42.5 -3.6 68 68 A D H > S+ 0 0 0 -2,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.900 71.7 48.8 -62.3 -40.4 65.6 40.5 -3.2 69 69 A L H > S+ 0 0 12 -3,-0.3 4,-3.1 1,-0.2 5,-0.2 0.894 110.3 50.7 -72.6 -40.8 65.4 39.1 -6.7 70 70 A H H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 110.9 50.3 -56.4 -38.7 69.1 38.1 -6.7 71 71 A A H <>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 6,-0.3 0.914 109.0 51.3 -69.4 -41.3 68.2 36.4 -3.4 72 72 A Y H ><5S+ 0 0 100 -4,-2.9 3,-1.8 1,-0.2 5,-0.4 0.967 111.6 46.9 -49.4 -56.0 65.3 34.7 -5.1 73 73 A L H 3<5S+ 0 0 29 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.801 108.4 56.9 -61.7 -28.7 67.6 33.5 -7.9 74 74 A N T 3<5S- 0 0 6 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 -0.008 120.7-109.0 -96.3 29.8 70.1 32.4 -5.3 75 75 A Q T < 5S+ 0 0 80 -3,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.604 74.8 135.8 61.2 25.8 67.4 30.1 -3.7 76 76 A K S - 0 0 114 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.562 58.8-121.1 -81.3 147.3 59.9 33.3 -2.2 79 79 A L H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 109.9 52.0 -57.2 -50.2 60.1 37.0 -3.3 80 80 A D H > S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.879 113.8 46.4 -57.0 -37.4 57.4 38.4 -0.9 81 81 A E H > S+ 0 0 66 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.848 110.6 51.9 -69.1 -39.6 59.2 36.6 2.0 82 82 A I H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.877 106.7 56.0 -67.5 -34.9 62.6 37.9 0.9 83 83 A R H X S+ 0 0 89 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.939 104.4 50.0 -64.2 -45.4 61.1 41.4 0.8 84 84 A K H X S+ 0 0 143 -4,-1.6 4,-1.7 1,-0.3 -1,-0.2 0.934 110.9 50.9 -59.0 -41.0 60.0 41.3 4.5 85 85 A I H X S+ 0 0 46 -4,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.881 106.6 55.6 -62.3 -39.0 63.5 40.2 5.4 86 86 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.863 104.5 52.5 -60.7 -36.4 64.8 43.1 3.4 87 87 A D H X S+ 0 0 58 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.824 109.5 49.2 -70.0 -32.6 62.7 45.5 5.5 88 88 A Y H >X S+ 0 0 54 -4,-1.7 4,-1.9 2,-0.2 3,-0.7 0.989 109.2 52.2 -64.3 -60.8 64.1 44.1 8.6 89 89 A N H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.857 106.6 54.4 -34.8 -55.5 67.7 44.4 7.2 90 90 A K H 3X S+ 0 0 58 -4,-2.5 4,-2.1 1,-0.2 -1,-0.3 0.908 106.7 51.2 -46.7 -53.0 66.9 48.1 6.5 91 91 A K H S+ 0 0 0 -4,-2.3 5,-1.5 -5,-0.2 4,-0.3 0.922 110.4 50.0 -64.3 -42.4 71.4 49.2 9.0 94 94 A E H ><5S+ 0 0 72 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.883 106.8 55.5 -63.7 -39.5 69.7 52.4 10.2 95 95 A A H 3<5S+ 0 0 12 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.829 99.3 62.6 -56.3 -34.5 70.3 51.3 13.8 96 96 A M T 3<5S- 0 0 14 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.627 123.7-104.1 -70.6 -8.9 74.0 51.0 12.9 97 97 A G T < 5S+ 0 0 39 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.523 70.9 146.4 94.9 9.6 74.1 54.8 12.2 98 98 A L < - 0 0 3 -5,-1.5 2,-0.7 -42,-0.0 -1,-0.3 -0.659 36.1-157.3 -78.9 130.5 74.1 54.6 8.4 99 99 A K + 0 0 153 -2,-0.4 -37,-0.5 -46,-0.0 2,-0.3 -0.952 40.4 138.4-102.9 107.6 72.3 57.4 6.6 100 100 A A - 0 0 29 -2,-0.7 2,-0.4 -39,-0.1 -37,-0.2 -0.926 54.2-112.1-144.9 166.7 71.5 55.9 3.3 101 101 A K E -d 63 0A 155 -39,-2.6 -37,-3.2 -2,-0.3 2,-0.4 -0.846 33.4-143.2-101.8 142.7 68.8 55.6 0.6 102 102 A Y E -d 64 0A 32 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.926 16.5-176.0-119.5 130.2 67.3 52.1 0.1 103 103 A V E -d 65 0A 52 -39,-2.3 -37,-3.4 -2,-0.4 2,-0.5 -0.975 17.7-140.9-125.7 136.2 66.2 50.6 -3.2 104 104 A Y E > -d 66 0A 28 -2,-0.4 3,-1.0 -39,-0.2 4,-0.5 -0.867 11.8-140.3 -98.0 127.9 64.5 47.2 -3.6 105 105 A G G >> S+ 0 0 0 -39,-2.6 4,-2.9 -2,-0.5 3,-2.0 0.918 100.0 56.8 -53.1 -49.8 65.6 45.1 -6.6 106 106 A S G 34 S+ 0 0 31 -40,-0.3 4,-0.4 1,-0.3 -1,-0.3 0.794 93.3 70.5 -59.4 -25.1 62.1 43.9 -7.5 107 107 A S G <4 S+ 0 0 84 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.784 123.7 5.8 -64.6 -24.4 60.9 47.5 -7.8 108 108 A F T X4 S+ 0 0 41 -3,-2.0 3,-1.6 -4,-0.5 6,-0.2 0.539 108.1 85.0-129.1 -15.1 63.0 48.0 -11.0 109 109 A Q T 3< S+ 0 0 1 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.1 0.424 90.6 53.3 -80.4 2.0 64.6 44.7 -12.0 110 110 A L T 3 S+ 0 0 116 -4,-0.4 -1,-0.3 -5,-0.2 -4,-0.1 0.257 79.2 122.1-111.3 7.5 61.5 43.5 -13.9 111 111 A D S <> S- 0 0 79 -3,-1.6 4,-2.5 1,-0.1 5,-0.2 -0.375 73.2-118.0 -68.9 149.0 61.3 46.6 -16.1 112 112 A K H > S+ 0 0 186 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.879 112.5 48.1 -57.5 -42.0 61.5 45.9 -19.8 113 113 A D H > S+ 0 0 99 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.842 111.9 50.4 -71.9 -33.0 64.7 47.9 -20.4 114 114 A Y H > S+ 0 0 2 -6,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.951 112.8 46.0 -63.8 -51.8 66.4 46.2 -17.5 115 115 A T H X S+ 0 0 39 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.932 108.3 55.7 -58.6 -43.4 65.4 42.8 -18.7 116 116 A L H X S+ 0 0 119 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.890 108.8 49.8 -58.9 -37.2 66.5 43.7 -22.2 117 117 A N H X S+ 0 0 39 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.805 104.3 56.3 -72.7 -30.5 69.9 44.5 -20.7 118 118 A V H X S+ 0 0 11 -4,-2.0 4,-2.3 -3,-0.2 -2,-0.2 0.971 113.1 42.6 -57.7 -49.5 70.0 41.2 -18.8 119 119 A Y H X S+ 0 0 151 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.905 112.8 52.1 -65.3 -42.5 69.6 39.6 -22.3 120 120 A R H < S+ 0 0 86 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.888 114.0 43.3 -58.7 -44.0 72.1 41.9 -24.0 121 121 A L H >X S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 4,-0.7 0.798 105.0 63.3 -81.5 -23.9 74.7 41.2 -21.4 122 122 A A H 3< S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.803 101.3 53.3 -63.8 -32.3 74.0 37.4 -21.4 123 123 A L T 3< S+ 0 0 151 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.669 112.6 44.3 -68.7 -23.9 75.1 37.5 -25.1 124 124 A K T <4 S+ 0 0 107 -3,-0.8 2,-0.5 -4,-0.4 -2,-0.2 0.446 103.0 74.9 -99.2 -7.5 78.4 39.1 -24.0 125 125 A T S < S- 0 0 17 -4,-0.7 2,-0.1 -3,-0.2 -1,-0.0 -0.949 74.6-135.8-116.5 125.2 79.1 36.9 -20.9 126 126 A T > - 0 0 85 -2,-0.5 4,-2.5 1,-0.1 5,-0.1 -0.455 17.3-124.2 -75.5 155.0 80.4 33.4 -21.3 127 127 A L H > S+ 0 0 125 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.869 112.3 54.0 -61.9 -42.3 78.9 30.5 -19.2 128 128 A K H > S+ 0 0 165 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.958 111.7 42.4 -62.5 -49.4 82.4 29.7 -17.9 129 129 A R H > S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.921 114.3 51.5 -60.2 -47.6 83.0 33.2 -16.7 130 130 A A H X S+ 0 0 4 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.932 113.4 44.5 -57.0 -47.1 79.5 33.5 -15.3 131 131 A R H >X S+ 0 0 120 -4,-2.9 3,-1.6 1,-0.2 4,-0.6 0.952 112.3 52.9 -64.7 -47.8 80.0 30.3 -13.3 132 132 A R H >< S+ 0 0 123 -4,-3.0 3,-1.2 1,-0.3 4,-0.3 0.900 104.4 55.7 -49.0 -44.1 83.5 31.3 -12.3 133 133 A S H 3< S+ 0 0 5 -4,-2.6 43,-0.4 1,-0.3 -1,-0.3 0.705 109.0 48.9 -66.8 -18.5 82.2 34.6 -10.9 134 134 A M H XX S+ 0 0 0 -3,-1.6 4,-3.1 -4,-0.6 3,-1.6 0.441 74.2 105.5-103.1 -1.8 79.7 32.7 -8.7 135 135 A E T << S+ 0 0 133 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 0.825 91.9 34.7 -50.2 -36.6 82.0 30.2 -7.1 136 136 A L T 34 S+ 0 0 137 36,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.512 125.8 41.6 -96.5 -2.1 82.0 32.1 -3.8 137 137 A I T <4 S+ 0 0 19 -3,-1.6 -2,-0.2 35,-0.1 -3,-0.1 0.748 82.9 103.7-115.1 -40.3 78.3 33.3 -4.0 138 138 A A S < S- 0 0 27 -4,-3.1 3,-0.1 -7,-0.2 -64,-0.1 -0.169 75.8-111.2 -58.1 132.2 76.2 30.4 -5.4 139 139 A R - 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