==== 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 1ZH6 . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR J.M.TURNER,J.GRAZIANO,G.SPRAGGON,P.G.SCHULTZ . 307 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.2 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 . 17 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 38.4 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 1 0 3 0 1 2 2 0 1 1 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 0 200 0, 0.0 5,-0.2 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -24.7 91.4 59.2 10.4 2 2 A D > - 0 0 93 1,-0.1 4,-2.9 3,-0.1 5,-0.3 -0.160 360.0-118.4 -29.2 120.7 92.2 60.8 7.0 3 3 A E H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.890 112.0 50.5 -42.9 -56.0 89.0 59.7 5.1 4 4 A F H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.935 114.6 44.4 -50.6 -51.0 90.9 57.7 2.6 5 5 A E H > S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 111.7 51.4 -66.0 -37.3 92.8 55.9 5.3 6 6 A M H < S+ 0 0 43 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.832 113.0 47.3 -67.5 -32.8 89.8 55.3 7.5 7 7 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.908 114.2 46.9 -69.1 -43.9 88.0 53.8 4.5 8 8 A K H >< S+ 0 0 70 -4,-2.5 3,-2.2 -5,-0.3 -2,-0.2 0.753 84.9 113.2 -69.5 -25.7 91.0 51.7 3.6 9 9 A R T 3< S- 0 0 126 -4,-1.7 3,-0.1 1,-0.3 -3,-0.0 -0.309 91.5 -0.6 -59.6 122.9 91.4 50.5 7.2 10 10 A N T 3 S+ 0 0 35 1,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.654 98.4 128.3 72.0 20.7 90.7 46.7 7.4 11 11 A T < - 0 0 24 -3,-2.2 -1,-0.3 182,-0.2 182,-0.3 -0.728 55.4-144.7 -94.0 155.5 89.9 46.3 3.7 12 12 A S S S- 0 0 56 180,-2.6 2,-0.3 1,-0.3 181,-0.2 0.778 74.9 -15.1 -81.4 -33.3 91.7 43.6 1.8 13 13 A E E -A 192 0A 48 179,-1.6 179,-3.3 -3,-0.1 2,-0.3 -0.992 47.1-149.3-173.8 155.0 91.8 45.6 -1.4 14 14 A I E > -A 191 0A 16 -2,-0.3 3,-0.9 177,-0.2 2,-0.7 -0.925 23.9-134.0-146.3 112.4 90.6 48.6 -3.4 15 15 A I E 3 S+A 190 0A 31 175,-2.5 175,-2.5 1,-0.4 173,-0.1 -0.893 93.0 1.3-109.8 98.2 90.5 48.6 -7.1 16 16 A S T 3> - 0 0 37 -2,-0.7 4,-2.3 173,-0.2 -1,-0.4 0.638 55.7-172.2-120.2 154.4 91.7 51.3 -7.5 17 17 A E H <> S+ 0 0 68 -3,-0.9 4,-1.9 2,-0.2 5,-0.1 0.880 96.6 56.6 -56.0 -38.1 93.0 53.6 -4.8 18 18 A E H >> S+ 0 0 129 2,-0.2 4,-1.8 1,-0.2 3,-1.4 0.992 107.5 44.8 -53.0 -70.3 93.5 56.2 -7.5 19 19 A E H 3> S+ 0 0 41 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.842 109.6 58.4 -41.1 -44.6 89.9 56.2 -8.6 20 20 A L H 3X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.3 0.889 103.7 51.0 -54.5 -44.1 88.9 56.2 -5.0 21 21 A R H < S+ 0 0 13 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.2 0.812 102.9 58.3 -73.4 -36.1 85.6 59.9 -5.8 24 24 A L H 3< S+ 0 0 25 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.784 99.6 61.0 -65.1 -27.1 86.4 61.4 -2.4 25 25 A K T 3< S+ 0 0 175 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.691 88.1 93.1 -73.1 -22.6 86.8 64.8 -4.1 26 26 A K S < S- 0 0 93 -3,-0.9 3,-0.1 -4,-0.3 -3,-0.0 -0.379 73.0-138.1 -74.5 151.5 83.2 64.8 -5.4 27 27 A D S S+ 0 0 153 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.909 95.8 43.3 -71.0 -49.4 80.3 66.4 -3.4 28 28 A E S S+ 0 0 149 32,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.924 71.6 159.7-105.4 120.9 78.0 63.6 -4.1 29 29 A K E -b 60 0A 22 30,-0.6 32,-2.8 -2,-0.6 2,-0.3 -0.969 14.1-170.7-134.0 144.6 79.4 60.1 -3.8 30 30 A S E -b 61 0A 18 -2,-0.3 135,-1.7 30,-0.3 136,-1.6 -0.994 5.2-160.1-143.9 153.6 77.5 56.9 -3.3 31 31 A A E -bc 62 166A 0 30,-2.4 32,-2.7 -2,-0.3 2,-0.4 -0.952 4.6-155.7-135.9 150.4 78.3 53.4 -2.4 32 32 A L E +bc 63 167A 10 134,-1.9 136,-2.7 -2,-0.3 2,-0.3 -0.948 12.1 174.2-130.7 139.5 76.6 50.1 -2.8 33 33 A I E -b 64 0A 1 30,-1.5 32,-3.1 -2,-0.4 2,-0.4 -0.977 14.7-154.9-137.8 151.0 76.7 46.7 -1.1 34 34 A G E -b 65 0A 39 134,-0.5 2,-0.4 -2,-0.3 32,-0.2 -0.971 8.6-174.2-128.6 144.2 74.5 43.7 -1.7 35 35 A F E -b 66 0A 16 30,-2.6 32,-2.7 -2,-0.4 36,-0.1 -0.999 28.8-128.9-136.7 130.7 73.5 40.8 0.5 36 36 A E - 0 0 34 -2,-0.4 32,-0.1 30,-0.2 30,-0.1 -0.705 55.8 -99.0 -65.3 120.8 71.5 37.6 -0.0 37 37 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 49,-0.2 -0.149 43.8-153.4 -48.8 142.4 69.2 37.9 2.9 38 38 A S - 0 0 9 47,-0.3 51,-0.0 1,-0.1 3,-0.0 -0.959 20.2-138.3-128.2 136.4 70.4 35.8 5.8 39 39 A G S S+ 0 0 51 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.862 98.9 34.6 -63.0 -36.5 68.3 34.2 8.5 40 40 A K S S- 0 0 96 -3,-0.1 2,-0.5 175,-0.0 -1,-0.1 -0.957 78.0-144.8-117.9 138.2 71.0 35.2 11.0 41 41 A I + 0 0 0 -2,-0.4 174,-2.6 3,-0.0 175,-0.4 -0.919 31.1 177.5-103.2 124.4 73.1 38.3 10.7 42 42 A H B >> -F 214 0B 11 -2,-0.5 4,-2.0 172,-0.3 3,-1.5 -0.643 47.3 -79.6-126.7 175.9 76.7 37.7 11.9 43 43 A L H 3> S+ 0 0 0 170,-2.1 4,-3.0 1,-0.3 5,-0.2 0.769 123.5 62.5 -48.9 -35.5 80.1 39.4 12.4 44 44 A G H 3> S+ 0 0 16 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.911 107.8 42.7 -53.5 -46.7 80.8 38.9 8.7 45 45 A H H <> S+ 0 0 18 -3,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.927 113.9 53.1 -64.1 -42.8 77.8 41.1 7.9 46 46 A Y H X S+ 0 0 26 -4,-2.0 4,-3.5 1,-0.2 -2,-0.2 0.869 102.6 56.2 -66.1 -39.9 78.9 43.5 10.6 47 47 A L H X S+ 0 0 8 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.950 113.4 41.8 -54.0 -49.6 82.4 43.9 9.3 48 48 A Q H X S+ 0 0 21 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.866 114.4 50.2 -69.4 -36.6 81.0 45.0 5.9 49 49 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.900 106.2 57.0 -69.5 -40.7 78.3 47.2 7.4 50 50 A K H X S+ 0 0 54 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.921 106.4 50.6 -49.4 -45.7 81.0 48.8 9.6 51 51 A K H X S+ 0 0 7 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.868 106.8 52.6 -66.9 -34.8 82.8 49.6 6.3 52 52 A M H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.893 107.4 53.5 -65.3 -36.2 79.6 51.1 4.8 53 53 A I H X S+ 0 0 29 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.926 104.8 53.5 -64.4 -44.7 79.4 53.3 8.0 54 54 A D H X S+ 0 0 30 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.967 112.8 45.4 -47.3 -55.6 83.0 54.5 7.4 55 55 A L H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 3,-0.4 0.884 110.3 51.9 -55.4 -45.1 81.9 55.5 3.9 56 56 A Q H ><5S+ 0 0 39 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.899 109.5 51.9 -57.6 -42.2 78.6 57.1 5.2 57 57 A N H 3<5S+ 0 0 107 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.691 103.7 58.0 -67.5 -23.1 80.9 59.0 7.6 58 58 A A T 3<5S- 0 0 1 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.184 129.5 -95.6 -92.0 14.5 83.0 60.1 4.6 59 59 A G T < 5S+ 0 0 39 -3,-1.5 -30,-0.6 1,-0.3 2,-0.3 0.659 77.5 142.5 87.4 15.7 79.9 61.6 3.0 60 60 A F E < -b 29 0A 7 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.3 -0.703 51.7-129.6 -83.9 140.2 78.8 58.8 0.8 61 61 A D E -b 30 0A 93 -32,-2.8 -30,-2.4 -2,-0.3 2,-0.4 -0.764 33.2-139.4 -80.7 136.6 75.1 58.1 0.3 62 62 A I E -b 31 0A 5 37,-0.4 39,-2.2 -2,-0.4 2,-0.4 -0.856 18.1-166.7-110.6 136.8 74.8 54.4 1.0 63 63 A I E -bd 32 101A 9 -32,-2.7 -30,-1.5 -2,-0.4 2,-0.6 -0.966 5.6-157.8-118.4 137.3 72.6 51.9 -0.8 64 64 A I E -bd 33 102A 0 37,-2.6 39,-2.9 -2,-0.4 2,-0.8 -0.960 5.7-156.1-116.9 117.0 71.9 48.4 0.5 65 65 A L E -bd 34 103A 12 -32,-3.1 -30,-2.6 -2,-0.6 2,-1.1 -0.841 3.3-156.8 -96.2 108.0 70.8 45.9 -2.0 66 66 A L E -bd 35 104A 0 37,-3.2 39,-2.2 -2,-0.8 2,-2.0 -0.786 19.6-147.2 -82.6 101.1 68.8 43.2 -0.4 67 67 A A > + 0 0 8 -32,-2.7 4,-2.1 -2,-1.1 5,-0.1 -0.489 35.9 158.0 -85.6 77.1 69.6 40.7 -3.1 68 68 A D H > S+ 0 0 0 -2,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.925 72.8 43.4 -73.4 -43.5 66.4 38.7 -3.1 69 69 A L H > S+ 0 0 12 2,-0.2 4,-3.7 -3,-0.2 -1,-0.2 0.842 110.5 57.2 -75.8 -24.9 66.5 37.2 -6.6 70 70 A H H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.965 109.9 45.6 -61.8 -46.0 70.2 36.4 -6.1 71 71 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 6,-0.3 0.885 113.3 50.0 -60.8 -39.0 69.1 34.4 -3.1 72 72 A Y H ><5S+ 0 0 109 -4,-2.2 3,-1.8 1,-0.2 5,-0.3 0.960 111.1 47.8 -65.1 -47.9 66.3 32.9 -5.1 73 73 A L H 3<5S+ 0 0 33 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.813 109.8 55.3 -62.3 -30.2 68.8 32.0 -7.9 74 74 A N T 3<5S- 0 0 8 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 -0.092 120.2-109.0 -95.7 29.1 71.1 30.5 -5.2 75 75 A Q T < 5S+ 0 0 70 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.772 73.8 137.8 59.7 37.2 68.4 28.2 -3.9 76 76 A K < - 0 0 86 -5,-2.5 2,-0.3 1,-0.3 -4,-0.2 0.529 69.2 -97.3 -89.3 -7.2 67.7 30.0 -0.6 77 77 A G - 0 0 27 -6,-0.3 -1,-0.3 -5,-0.3 2,-0.3 -0.917 65.1 -10.6 134.0-158.1 63.9 29.5 -1.1 78 78 A E >> - 0 0 117 -2,-0.3 4,-2.1 1,-0.1 3,-0.6 -0.601 58.3-122.7 -83.6 141.8 60.8 31.3 -2.3 79 79 A L H 3> S+ 0 0 59 -2,-0.3 4,-2.5 1,-0.2 3,-0.3 0.898 107.2 57.1 -47.8 -56.4 60.9 35.0 -3.1 80 80 A D H 3> S+ 0 0 98 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.850 113.3 40.4 -41.3 -46.6 58.1 36.0 -0.7 81 81 A E H <> S+ 0 0 84 -3,-0.6 4,-1.6 2,-0.2 -1,-0.3 0.798 110.5 56.4 -81.8 -33.2 60.0 34.5 2.2 82 82 A I H X S+ 0 0 3 -4,-2.1 4,-2.2 -3,-0.3 -1,-0.2 0.853 106.0 55.0 -63.3 -36.1 63.4 35.7 1.2 83 83 A R H X S+ 0 0 98 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.852 104.8 50.1 -66.1 -40.1 61.9 39.2 1.2 84 84 A K H X S+ 0 0 141 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.843 111.2 49.1 -72.3 -32.1 60.7 39.0 4.8 85 85 A I H X S+ 0 0 51 -4,-1.6 4,-2.4 2,-0.2 -47,-0.3 0.895 110.2 53.3 -67.4 -41.8 64.2 37.8 5.9 86 86 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.914 106.2 51.0 -56.5 -46.0 65.5 40.7 3.9 87 87 A D H X S+ 0 0 72 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.862 109.4 51.4 -63.1 -36.3 63.2 43.1 5.8 88 88 A Y H X S+ 0 0 70 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.910 106.2 54.1 -62.4 -43.3 64.5 41.6 9.0 89 89 A N H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.861 103.6 57.5 -59.9 -34.4 68.1 42.2 7.8 90 90 A K H X S+ 0 0 52 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.950 104.1 51.5 -58.8 -52.9 67.2 45.9 7.3 91 91 A K H X S+ 0 0 83 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.879 110.8 48.4 -49.1 -43.9 66.2 46.2 10.9 92 92 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.950 110.9 48.8 -68.5 -48.9 69.5 44.7 12.0 93 93 A F H <>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 -1,-0.2 0.870 112.7 49.1 -56.1 -40.4 71.5 47.0 9.7 94 94 A E H ><5S+ 0 0 70 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.863 108.9 53.2 -64.4 -35.9 69.5 49.9 11.1 95 95 A A H 3<5S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.802 101.4 60.4 -69.0 -28.4 70.3 48.7 14.6 96 96 A M T 3<5S- 0 0 12 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.481 125.5-100.8 -76.5 -4.9 74.0 48.7 13.7 97 97 A G T < 5 + 0 0 33 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.715 68.3 153.4 92.8 25.2 73.8 52.4 13.1 98 98 A L < - 0 0 4 -5,-1.8 2,-0.6 2,-0.0 -1,-0.3 -0.644 32.5-159.0 -86.1 145.4 73.6 52.5 9.3 99 99 A K + 0 0 164 -2,-0.3 -37,-0.4 2,-0.0 2,-0.3 -0.940 43.2 135.1-122.1 98.0 71.9 55.4 7.5 100 100 A A - 0 0 25 -2,-0.6 2,-0.4 -39,-0.1 -37,-0.2 -0.917 57.8-116.2-145.3 163.0 71.1 53.9 4.2 101 101 A K E -d 63 0A 123 -39,-2.2 -37,-2.6 -2,-0.3 2,-0.4 -0.894 36.2-144.3-104.1 137.3 68.5 53.5 1.5 102 102 A Y E -d 64 0A 37 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.909 18.8-179.5-115.9 135.0 67.4 49.9 1.1 103 103 A V E -d 65 0A 3 -39,-2.9 -37,-3.2 -2,-0.4 2,-0.4 -0.991 22.7-137.2-134.4 134.9 66.4 48.3 -2.2 104 104 A Y E > -d 66 0A 25 -2,-0.4 3,-2.1 -39,-0.2 4,-0.5 -0.788 22.3-131.0 -88.8 133.9 65.3 44.8 -3.1 105 105 A G T >> S+ 0 0 0 -39,-2.2 4,-2.8 -2,-0.4 3,-1.8 0.897 105.9 63.0 -48.7 -44.1 66.9 43.4 -6.2 106 106 A S H 3> S+ 0 0 29 -40,-0.3 4,-0.5 1,-0.3 -1,-0.3 0.725 85.1 75.6 -55.3 -25.3 63.5 42.4 -7.6 107 107 A E H <4 S- 0 0 113 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.871 123.9 -0.2 -57.1 -35.2 62.4 46.1 -7.6 108 108 A F H X4 S+ 0 0 22 -3,-1.8 3,-1.1 -4,-0.5 -2,-0.2 0.532 112.3 84.8-130.8 -11.6 64.6 46.7 -10.7 109 109 A Q H 3< S+ 0 0 2 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.516 91.5 51.1 -82.1 -4.1 66.3 43.4 -11.7 110 110 A L T 3< S+ 0 0 111 -4,-0.5 -1,-0.2 -5,-0.2 2,-0.1 0.278 79.0 126.2-110.4 8.3 63.4 42.0 -13.7 111 111 A D S <> S- 0 0 88 -3,-1.1 4,-2.6 1,-0.1 5,-0.4 -0.395 73.0-114.6 -61.1 139.8 62.9 45.1 -15.9 112 112 A K H > S+ 0 0 186 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.858 116.5 44.2 -38.9 -51.5 62.9 44.5 -19.6 113 113 A D H > S+ 0 0 118 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.862 110.3 55.5 -71.7 -34.5 66.0 46.5 -20.2 114 114 A Y H > S+ 0 0 23 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.932 112.3 41.0 -62.5 -44.6 67.7 45.0 -17.2 115 115 A T H X S+ 0 0 38 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.913 110.3 58.6 -75.6 -33.0 67.3 41.5 -18.4 116 116 A L H X S+ 0 0 107 -4,-2.2 4,-1.7 -5,-0.4 -1,-0.2 0.890 109.0 45.5 -59.6 -37.9 68.1 42.4 -21.9 117 117 A N H X S+ 0 0 56 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.893 108.1 56.8 -71.3 -38.1 71.5 43.7 -20.6 118 118 A V H X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.886 109.9 45.8 -54.3 -39.6 71.9 40.5 -18.6 119 119 A Y H X S+ 0 0 148 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.806 109.4 54.3 -75.2 -34.6 71.5 38.6 -21.8 120 120 A R H >X S+ 0 0 109 -4,-1.7 3,-0.7 -5,-0.2 4,-0.7 0.905 111.0 46.3 -56.7 -47.6 73.9 41.0 -23.5 121 121 A L H >X S+ 0 0 1 -4,-3.0 3,-1.0 1,-0.2 4,-0.6 0.873 103.2 63.0 -66.2 -36.2 76.4 40.1 -20.8 122 122 A A H 3< S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.727 99.9 55.9 -59.1 -26.1 75.7 36.4 -21.1 123 123 A L H << S+ 0 0 146 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.753 112.9 39.8 -73.1 -32.2 77.0 36.7 -24.7 124 124 A K H << S+ 0 0 143 -3,-1.0 2,-0.5 -4,-0.7 -2,-0.2 0.355 104.1 80.2 -99.0 1.3 80.3 38.1 -23.4 125 125 A T S < S- 0 0 17 -4,-0.6 2,-0.1 -3,-0.1 -1,-0.1 -0.953 72.2-140.2-119.2 120.4 80.6 35.8 -20.3 126 126 A T > - 0 0 82 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.417 15.3-127.8 -77.0 150.1 81.9 32.3 -20.7 127 127 A L H > S+ 0 0 125 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.894 109.4 54.6 -57.4 -44.6 80.4 29.5 -18.8 128 128 A K H > S+ 0 0 170 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.947 112.9 43.0 -59.8 -44.9 83.8 28.4 -17.4 129 129 A R H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 111.6 51.9 -71.3 -39.7 84.4 31.8 -16.1 130 130 A A H < S+ 0 0 3 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.879 112.2 48.0 -62.9 -39.5 80.9 32.3 -14.7 131 131 A R H >< S+ 0 0 111 -4,-2.6 3,-1.8 1,-0.2 4,-0.3 0.932 108.9 53.9 -63.9 -45.6 81.3 29.0 -12.9 132 132 A R H >< S+ 0 0 91 -4,-2.5 3,-0.9 1,-0.3 4,-0.3 0.837 103.7 56.2 -59.7 -33.9 84.7 30.0 -11.6 133 133 A S T 3< S+ 0 0 4 -4,-1.8 43,-0.4 1,-0.2 -1,-0.3 0.569 107.2 50.9 -73.3 -7.0 83.3 33.3 -10.2 134 134 A M T X> S+ 0 0 1 -3,-1.8 4,-3.1 -4,-0.3 3,-1.2 0.303 72.7 104.3-116.2 6.7 80.8 31.3 -8.1 135 135 A E T <4 S+ 0 0 124 -3,-0.9 -1,-0.1 -4,-0.3 -2,-0.1 0.923 90.4 38.5 -56.2 -43.7 83.0 28.8 -6.4 136 136 A L T 34 S+ 0 0 125 36,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.409 127.0 35.0 -88.8 1.0 82.8 30.7 -3.1 137 137 A I T <4 S+ 0 0 21 -3,-1.2 -2,-0.2 35,-0.1 -1,-0.1 0.640 85.6 104.1-125.3 -36.9 79.2 31.7 -3.4 138 138 A A S < S- 0 0 18 -4,-3.1 2,-0.3 -7,-0.2 3,-0.1 -0.322 74.9-116.3 -60.0 134.5 77.3 28.9 -5.1 139 139 A R - 0 0 121 1,-0.1 -1,-0.1 -65,-0.0 -2,-0.1 -0.578 46.5 -94.1 -64.2 128.1 75.2 26.7 -2.8 140 140 A E + 0 0 173 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 -0.230 56.6 165.3 -52.4 132.4 76.6 23.2 -3.0 141 141 A D - 0 0 47 -3,-0.1 -3,-0.0 1,-0.1 -1,-0.0 -0.938 35.9-151.4-156.6 119.3 74.9 21.1 -5.6 142 142 A E S S+ 0 0 183 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.687 103.7 42.0 -68.8 -20.9 76.1 17.8 -7.0 143 143 A N S S- 0 0 113 -3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.688 96.2-144.0-125.4 77.8 74.2 18.7 -10.1 144 144 A P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.064 16.4-134.0 -52.2 140.4 74.9 22.4 -10.6 145 145 A K > - 0 0 98 1,-0.1 3,-1.6 0, 0.0 4,-0.5 -0.508 18.4-115.7-101.0 159.4 72.0 24.4 -12.1 146 146 A V T >> S+ 0 0 111 1,-0.3 3,-1.8 2,-0.2 4,-1.1 0.889 113.0 70.1 -59.0 -38.6 71.7 27.0 -14.8 147 147 A A H 3> S+ 0 0 25 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.775 86.9 67.5 -45.8 -32.1 70.7 29.5 -12.1 148 148 A E H <4 S+ 0 0 25 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.870 104.6 39.9 -61.5 -38.4 74.3 29.3 -10.9 149 149 A V H <> S+ 0 0 28 -3,-1.8 4,-0.7 -4,-0.5 -1,-0.2 0.598 111.7 56.3 -90.5 -13.4 75.7 31.0 -14.1 150 150 A I H X S+ 0 0 62 -4,-1.1 4,-2.1 -3,-0.2 5,-0.2 0.839 96.9 67.3 -78.4 -40.7 72.9 33.6 -14.3 151 151 A Y H X S+ 0 0 6 -4,-1.9 4,-2.4 1,-0.2 3,-0.3 0.925 99.1 47.0 -45.3 -57.5 73.6 34.8 -10.8 152 152 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.922 111.7 49.0 -61.8 -40.6 77.0 36.3 -11.5 153 153 A I H X S+ 0 0 9 -4,-0.7 4,-1.8 1,-0.2 -2,-0.2 0.813 111.2 51.2 -71.5 -25.5 75.9 38.2 -14.7 154 154 A M H X S+ 0 0 12 -4,-2.1 4,-0.8 -3,-0.3 -1,-0.2 0.870 109.0 51.2 -70.7 -40.7 72.9 39.6 -12.9 155 155 A Q H >X S+ 0 0 30 -4,-2.4 3,-1.4 -5,-0.2 4,-0.6 0.965 109.2 51.2 -54.6 -51.5 75.2 40.7 -10.1 156 156 A V H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.3 4,-0.4 0.860 106.4 53.3 -57.2 -42.5 77.5 42.4 -12.7 157 157 A N H 3< S+ 0 0 6 -4,-1.8 -1,-0.3 1,-0.2 3,-0.3 0.709 108.5 52.5 -66.8 -18.3 74.6 44.3 -14.3 158 158 A G H X< S+ 0 0 4 -3,-1.4 3,-1.6 -4,-0.8 -1,-0.2 0.531 84.2 85.1 -93.9 -6.9 73.6 45.6 -10.8 159 159 A C T << S+ 0 0 14 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.811 89.2 51.2 -67.5 -30.4 77.0 47.0 -9.9 160 160 A H T > S+ 0 0 71 -4,-0.4 3,-2.1 -3,-0.3 -1,-0.3 0.167 81.2 152.3 -88.8 19.2 76.3 50.3 -11.7 161 161 A Y G X S- 0 0 43 -3,-1.6 3,-1.0 1,-0.3 -3,-0.1 -0.234 75.1 -5.5 -65.7 131.5 73.0 50.7 -9.9 162 162 A R G 3 S- 0 0 138 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.805 122.2 -75.7 52.7 32.9 72.0 54.4 -9.5 163 163 A G G < S- 0 0 41 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.865 72.6-168.8 49.6 43.6 75.4 55.3 -11.0 164 164 A V < - 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0 0 11 -4,-0.8 2,-0.2 -5,-0.8 21,-0.1 -0.449 67.1-120.3 -90.4 154.7 87.5 46.0 19.2 250 250 A E - 0 0 151 -2,-0.1 -1,-0.1 2,-0.1 19,-0.1 -0.595 37.7-105.0 -83.2 150.1 88.6 49.4 20.3 251 251 A Y S S+ 0 0 61 -2,-0.2 17,-0.2 17,-0.1 2,-0.1 -0.929 96.5 53.6-122.9 152.2 92.2 50.2 21.3 252 252 A P S S- 0 0 83 0, 0.0 2,-0.4 0, 0.0 16,-0.2 0.523 82.0-168.1 -59.2 143.7 93.8 50.7 23.7 253 253 A L E -H 267 0D 5 14,-2.5 14,-3.0 -2,-0.1 2,-0.7 -0.891 15.3-147.5-109.7 142.2 92.4 47.4 25.0 254 254 A T E -H 266 0D 68 -2,-0.4 2,-1.0 12,-0.2 12,-0.2 -0.676 9.1-160.0-117.0 77.8 92.7 46.3 28.6 255 255 A I E -H 265 0D 0 10,-1.2 10,-2.4 -2,-0.7 2,-0.1 -0.392 13.9-152.3 -61.1 95.2 93.0 42.5 28.8 256 256 A K + 0 0 147 -2,-1.0 34,-0.1 8,-0.2 8,-0.1 -0.466 28.8 152.8 -64.1 138.7 92.1 41.8 32.4 257 257 A R - 0 0 37 -2,-0.1 7,-0.1 32,-0.1 29,-0.0 -0.937 48.7 -73.6-166.9 152.1 93.7 38.6 33.7 258 258 A P > > - 0 0 69 0, 0.0 5,-2.0 0, 0.0 3,-1.6 -0.062 32.6-129.0 -51.2 144.3 94.7 37.2 37.1 259 259 A E G > 5S+ 0 0 159 1,-0.3 3,-1.4 3,-0.2 0, 0.0 0.893 103.7 81.1 -58.1 -39.5 97.8 38.6 38.8 260 260 A K G 3 5S+ 0 0 182 1,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.753 107.7 24.1 -30.8 -42.3 98.8 35.0 39.1 261 261 A F G < 5S- 0 0 91 -3,-1.6 -1,-0.3 0, 0.0 -2,-0.1 -0.516 142.2 -49.3-133.1 75.5 99.9 35.2 35.4 262 262 A G T < 5S- 0 0 52 -3,-1.4 -3,-0.2 -2,-0.1 -2,-0.1 -0.205 74.0-130.8 106.1 -40.5 100.8 38.8 34.5 263 263 A G < - 0 0 0 -5,-2.0 -4,-0.1 -2,-0.1 -8,-0.0 -0.228 63.0 -9.9 78.5-178.4 97.8 40.7 35.7 264 264 A D - 0 0 82 -8,-0.1 2,-0.4 -7,-0.1 -8,-0.2 -0.269 69.4-161.4 -56.1 130.2 95.8 43.3 33.7 265 265 A L E -H 255 0D 37 -10,-2.4 -10,-1.2 2,-0.0 2,-0.5 -0.962 5.0-151.9-123.0 131.4 97.7 44.0 30.5 266 266 A T E -H 254 0D 78 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.916 11.4-170.1-112.8 120.8 97.0 47.1 28.3 267 267 A V E -H 253 0D 2 -14,-3.0 -14,-2.5 -2,-0.5 3,-0.1 -0.879 14.9-157.9-116.3 143.4 97.6 47.0 24.6 268 268 A N S S+ 0 0 94 -2,-0.4 2,-0.3 -16,-0.2 -17,-0.1 0.475 72.1 6.1-104.1 -6.5 97.6 50.0 22.2 269 269 A S S > S- 0 0 28 -16,-0.1 4,-1.9 -19,-0.1 -1,-0.1 -0.972 72.1-105.8-162.4 168.2 97.0 48.4 18.9 270 270 A Y H > S+ 0 0 17 -2,-0.3 4,-2.4 2,-0.2 -24,-0.1 0.779 118.9 61.5 -67.8 -27.3 96.1 45.1 17.3 271 271 A E H > S+ 0 0 128 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.906 103.4 48.0 -69.9 -39.3 99.7 45.0 16.1 272 272 A E H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.969 111.1 51.7 -62.1 -48.2 100.9 45.0 19.7 273 273 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.856 104.3 59.9 -51.8 -42.8 98.4 42.2 20.4 274 274 A E H X S+ 0 0 55 -4,-2.4 4,-3.4 2,-0.2 -1,-0.2 0.963 108.3 39.5 -52.2 -61.1 99.8 40.2 17.5 275 275 A S H X S+ 0 0 58 -4,-1.6 4,-3.3 1,-0.2 6,-0.3 0.905 113.3 55.9 -63.7 -40.2 103.4 39.9 18.7 276 276 A L H <>S+ 0 0 30 -4,-2.1 5,-2.8 1,-0.2 6,-1.2 0.915 114.6 40.7 -53.6 -43.6 102.3 39.3 22.3 277 277 A F H ><5S+ 0 0 0 -4,-2.4 3,-1.3 4,-0.2 -43,-0.8 0.916 112.9 53.8 -72.6 -42.2 100.2 36.4 21.0 278 278 A K H 3<5S+ 0 0 91 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.894 106.5 53.1 -55.5 -44.5 102.9 35.2 18.6 279 279 A N T 3<5S- 0 0 103 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.673 115.0-117.3 -60.2 -17.0 105.4 35.1 21.4 280 280 A K T < 5S+ 0 0 158 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.839 82.2 127.4 65.9 39.0 103.0 32.9 23.4 281 281 A E < + 0 0 111 -5,-2.8 2,-0.5 -6,-0.3 -4,-0.2 0.658 64.9 49.2 -97.5 -23.9 103.0 35.9 25.8 282 282 A L S S- 0 0 1 -6,-1.2 -48,-0.3 -9,-0.1 -1,-0.2 -0.988 88.0-135.7-111.6 128.4 99.2 36.2 25.8 283 283 A H > - 0 0 109 -2,-0.5 4,-2.6 1,-0.1 3,-0.3 -0.614 15.8-122.6 -85.8 137.1 97.3 32.9 26.4 284 284 A P H > S+ 0 0 15 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.790 112.9 56.8 -40.5 -40.3 94.3 32.1 24.2 285 285 A M H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.975 110.9 41.1 -58.6 -56.5 92.2 31.8 27.4 286 286 A D H > S+ 0 0 6 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.867 117.0 50.3 -59.9 -38.7 93.0 35.3 28.5 287 287 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.904 111.1 48.6 -63.6 -46.2 92.6 36.5 24.9 288 288 A K H X S+ 0 0 28 -4,-3.0 4,-3.2 -5,-0.2 5,-0.2 0.886 108.7 52.5 -64.3 -41.8 89.3 34.8 24.6 289 289 A N H X S+ 0 0 86 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.938 113.1 44.1 -62.2 -45.9 88.0 36.3 27.9 290 290 A A H X S+ 0 0 9 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.913 116.0 48.0 -64.8 -41.6 88.9 39.8 26.8 291 291 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.959 111.7 48.6 -64.8 -52.4 87.5 39.3 23.3 292 292 A A H X S+ 0 0 4 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.902 113.9 46.2 -53.2 -46.6 84.2 37.8 24.5 293 293 A E H X S+ 0 0 75 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.884 114.8 45.9 -69.4 -38.4 83.6 40.6 27.0 294 294 A E H X S+ 0 0 54 -4,-2.2 4,-3.3 -5,-0.2 -2,-0.2 0.907 112.8 50.8 -70.3 -42.6 84.4 43.4 24.6 295 295 A L H X S+ 0 0 0 -4,-3.1 4,-4.0 -5,-0.2 5,-0.3 0.919 107.6 53.1 -56.5 -47.9 82.3 41.8 21.9 296 296 A I H X S+ 0 0 21 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.930 113.0 44.4 -54.6 -44.0 79.4 41.5 24.2 297 297 A K H < S+ 0 0 131 -4,-1.7 3,-0.3 2,-0.2 -2,-0.2 0.952 115.4 47.6 -67.7 -48.4 79.8 45.2 25.0 298 298 A I H < S+ 0 0 39 -4,-3.3 4,-0.4 1,-0.2 -2,-0.2 0.947 118.5 40.4 -51.1 -55.3 80.2 46.1 21.3 299 299 A L H X S+ 0 0 4 -4,-4.0 4,-2.5 1,-0.2 3,-0.5 0.652 93.2 88.5 -74.1 -14.5 77.2 44.0 20.3 300 300 A E H X S+ 0 0 92 -4,-1.3 4,-3.3 -3,-0.3 -1,-0.2 0.899 84.5 50.2 -56.2 -51.1 75.0 45.0 23.2 301 301 A P H > S+ 0 0 45 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.847 114.2 46.6 -52.3 -37.7 73.4 48.1 21.7 302 302 A I H > S+ 0 0 5 -3,-0.5 4,-1.6 -4,-0.4 -2,-0.2 0.954 113.7 46.4 -72.9 -53.6 72.5 46.2 18.6 303 303 A R H < S+ 0 0 96 -4,-2.5 3,-0.2 -88,-0.4 -1,-0.2 0.909 115.2 49.6 -44.6 -50.8 71.1 43.2 20.6 304 304 A K H >< S+ 0 0 150 -4,-3.3 3,-2.2 -5,-0.3 -2,-0.2 0.962 107.4 52.7 -60.3 -54.0 69.2 45.8 22.7 305 305 A R H 3< S+ 0 0 152 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.783 94.9 71.5 -53.3 -31.8 67.7 47.7 19.7 306 306 A L T 3< 0 0 45 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.491 360.0 360.0 -74.8 0.5 66.3 44.4 18.3 307 307 A L < 0 0 192 -3,-2.2 -2,-0.2 -4,-0.2 -1,-0.2 0.554 360.0 360.0-122.8 360.0 63.7 44.3 21.1