==== 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 27-JUN-06 2HGZ . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR W.LIU,L.ALFONTA,A.V.MACK,P.G.SCHULTZ . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 73.6 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 . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 2 1 1 2 2 1 0 0 0 1 1 1 0 0 0 0 0 1 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 2 A D > 0 0 135 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-167.1 40.8 -9.7 11.3 2 3 A E H > + 0 0 90 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.902 360.0 55.7 -79.0 -45.8 37.5 -8.5 13.0 3 4 A F H >> S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 3,-1.1 0.972 113.9 38.1 -49.5 -67.1 39.1 -6.2 15.5 4 5 A E H 3> S+ 0 0 91 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.857 110.2 62.4 -55.4 -37.0 41.0 -4.1 13.0 5 6 A M H 3< S+ 0 0 68 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.876 112.3 37.9 -56.4 -35.6 38.0 -4.4 10.6 6 7 A I H << S+ 0 0 0 -4,-1.9 -2,-0.2 -3,-1.1 -1,-0.2 0.829 114.4 54.9 -82.6 -35.6 36.2 -2.5 13.4 7 8 A K H >< S+ 0 0 72 -4,-2.5 3,-1.8 -5,-0.2 -2,-0.2 0.752 81.8 115.3 -70.4 -24.8 39.1 -0.3 14.2 8 9 A R T 3< S- 0 0 115 -4,-2.6 3,-0.1 1,-0.3 -3,-0.0 -0.226 89.2 -3.8 -53.8 127.1 39.4 0.9 10.6 9 10 A N T 3 S+ 0 0 35 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.688 99.7 128.1 62.5 24.1 38.8 4.6 10.2 10 11 A T < - 0 0 24 -3,-1.8 182,-0.3 182,-0.2 -1,-0.2 -0.758 57.7-141.2-104.7 155.0 37.8 5.2 13.9 11 12 A S S S- 0 0 57 180,-2.8 2,-0.3 1,-0.3 181,-0.2 0.835 76.6 -18.2 -83.8 -34.3 39.5 7.9 16.0 12 13 A E E -A 191 0A 46 179,-1.7 179,-3.6 -3,-0.1 2,-0.5 -0.966 43.5-146.6-170.6 153.9 39.7 5.8 19.1 13 14 A I E -A 190 0A 14 -2,-0.3 2,-1.5 177,-0.2 177,-0.2 -0.974 31.2-130.4-126.0 108.6 38.4 2.8 21.0 14 15 A I E S-A 189 0A 27 175,-3.0 175,-0.6 -2,-0.5 -2,-0.0 -0.489 91.8 -1.7 -67.4 94.0 38.3 3.3 24.7 15 16 A S > - 0 0 37 -2,-1.5 4,-1.2 173,-0.1 -1,-0.2 0.840 60.1-164.2 85.8 99.2 40.2 0.2 25.7 16 17 A E H > S+ 0 0 77 2,-0.2 4,-1.2 1,-0.2 -2,-0.1 0.665 94.6 60.6 -79.4 -17.7 41.1 -2.1 22.8 17 18 A E H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 3,-0.5 0.951 104.1 45.9 -71.1 -51.8 41.7 -4.7 25.5 18 19 A E H > S+ 0 0 34 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.852 110.5 55.2 -59.3 -35.5 38.0 -4.5 26.6 19 20 A L H X S+ 0 0 0 -4,-1.2 4,-1.9 1,-0.2 -1,-0.3 0.823 105.9 51.4 -67.6 -32.2 37.0 -4.7 23.0 20 21 A R H X S+ 0 0 105 -4,-1.2 4,-0.9 -3,-0.5 -2,-0.2 0.870 107.5 52.1 -72.5 -36.5 39.0 -7.9 22.6 21 22 A E H X S+ 0 0 116 -4,-1.9 4,-0.7 1,-0.2 3,-0.4 0.891 110.2 51.1 -64.0 -38.5 37.2 -9.4 25.6 22 23 A V H >< S+ 0 0 15 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.885 100.7 59.6 -65.9 -42.9 33.9 -8.5 23.9 23 24 A L H 3< S+ 0 0 31 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.774 99.5 60.4 -59.4 -25.2 34.7 -10.1 20.6 24 25 A K H 3< S+ 0 0 145 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.842 86.2 92.8 -70.8 -34.1 35.1 -13.4 22.4 25 26 A K S << S- 0 0 88 -3,-0.9 3,-0.1 -4,-0.7 -3,-0.0 -0.209 72.0-140.8 -61.4 150.5 31.5 -13.4 23.6 26 27 A D S S+ 0 0 150 1,-0.2 2,-0.6 33,-0.0 -1,-0.1 0.896 92.1 43.1 -78.8 -44.9 28.9 -15.1 21.5 27 28 A E S S+ 0 0 154 32,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.921 73.0 159.4-109.1 116.8 26.2 -12.5 22.1 28 29 A K E -b 59 0A 16 -2,-0.6 32,-3.3 30,-0.6 2,-0.4 -0.994 21.1-155.5-136.3 141.4 27.4 -8.9 21.9 29 30 A S E -b 60 0A 20 -2,-0.4 136,-2.2 30,-0.3 135,-1.5 -0.928 3.5-166.2-121.9 144.0 25.5 -5.7 21.3 30 31 A A E -bc 61 165A 0 30,-2.8 32,-2.6 -2,-0.4 2,-0.3 -0.963 13.2-170.0-124.5 142.8 26.6 -2.4 19.9 31 32 A G E +bc 62 166A 1 134,-2.4 136,-2.9 -2,-0.4 2,-0.3 -0.978 14.1 177.7-139.5 152.1 24.6 0.8 20.1 32 33 A I E -b 63 0A 1 30,-1.9 32,-3.0 -2,-0.3 2,-0.4 -0.988 14.8-149.3-145.5 149.4 24.5 4.3 18.8 33 34 A G E -b 64 0A 4 134,-0.5 2,-0.4 -2,-0.3 32,-0.2 -0.947 8.4-169.5-126.0 147.2 22.0 7.2 19.4 34 35 A F E -b 65 0A 7 30,-2.6 32,-1.7 -2,-0.4 36,-0.1 -0.996 26.0-130.2-135.4 135.3 21.0 10.0 17.2 35 36 A E - 0 0 16 -2,-0.4 32,-0.1 30,-0.2 30,-0.1 -0.719 55.8 -95.8 -75.7 128.3 19.0 13.1 17.9 36 37 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 49,-0.2 -0.233 49.3-157.6 -49.0 134.0 16.5 12.9 15.0 37 38 A S - 0 0 13 47,-0.3 3,-0.1 1,-0.1 51,-0.0 -0.934 24.3-137.0-121.8 142.5 17.8 15.1 12.1 38 39 A G S S+ 0 0 47 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.832 97.9 30.3 -63.2 -34.0 15.9 16.7 9.2 39 40 A K S S- 0 0 88 -3,-0.0 2,-0.6 175,-0.0 -1,-0.2 -0.996 75.2-144.6-130.1 131.7 18.7 15.7 6.8 40 41 A I - 0 0 0 -2,-0.4 174,-2.5 -3,-0.1 175,-0.4 -0.870 31.2-178.3 -97.3 119.8 20.9 12.6 7.2 41 42 A H B >> -F 213 0B 14 -2,-0.6 4,-2.2 172,-0.3 3,-0.7 -0.458 45.2 -80.9-111.5-176.7 24.4 13.4 5.9 42 43 A L H 3> S+ 0 0 0 170,-1.6 4,-3.5 1,-0.3 5,-0.2 0.813 123.9 64.1 -52.8 -35.6 27.8 11.7 5.4 43 44 A G H 3> S+ 0 0 13 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.955 107.4 40.9 -55.1 -49.8 28.5 12.2 9.1 44 45 A H H <> S+ 0 0 20 -3,-0.7 4,-2.5 1,-0.2 -2,-0.2 0.920 114.1 53.5 -63.7 -43.4 25.6 9.9 9.9 45 46 A Y H X S+ 0 0 28 -4,-2.2 4,-3.5 1,-0.2 5,-0.3 0.922 103.2 56.1 -57.9 -47.8 26.5 7.5 7.1 46 47 A L H X S+ 0 0 10 -4,-3.5 4,-1.5 1,-0.2 -1,-0.2 0.924 113.0 43.1 -50.3 -46.5 30.1 7.2 8.4 47 48 A Q H X S+ 0 0 23 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.852 113.1 48.9 -71.9 -36.0 28.7 6.1 11.7 48 49 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.902 108.8 55.5 -69.5 -37.8 26.0 3.7 10.3 49 50 A K H X S+ 0 0 51 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.886 108.2 49.2 -57.6 -40.0 28.8 2.2 8.1 50 51 A K H X S+ 0 0 7 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.857 107.4 53.4 -69.2 -35.1 30.7 1.6 11.3 51 52 A M H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.882 107.5 52.3 -66.1 -36.5 27.6 0.0 12.9 52 53 A I H X S+ 0 0 32 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.902 103.8 56.4 -65.8 -39.4 27.4 -2.3 9.9 53 54 A D H X S+ 0 0 30 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.930 110.3 45.4 -55.8 -46.2 31.1 -3.3 10.4 54 55 A L H <>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 3,-0.5 0.892 110.7 53.1 -63.1 -42.3 30.2 -4.3 14.0 55 56 A Q H ><5S+ 0 0 28 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.905 106.2 52.4 -60.2 -43.5 27.1 -6.1 12.7 56 57 A N H 3<5S+ 0 0 102 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.734 104.9 59.3 -64.2 -21.3 29.2 -8.1 10.2 57 58 A A T 3<5S- 0 0 1 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.152 131.0 -92.7 -93.0 16.5 31.4 -8.9 13.3 58 59 A G T < 5S+ 0 0 40 -3,-1.9 -30,-0.6 1,-0.3 2,-0.3 0.553 78.6 141.1 88.2 8.6 28.4 -10.6 15.1 59 60 A F E < -b 28 0A 6 -5,-2.0 2,-0.4 -8,-0.1 -30,-0.3 -0.631 51.9-128.3 -86.6 141.3 27.1 -7.7 17.1 60 61 A D E -b 29 0A 89 -32,-3.3 -30,-2.8 -2,-0.3 2,-0.5 -0.729 32.7-132.0 -83.2 135.1 23.4 -7.1 17.6 61 62 A I E -b 30 0A 7 -2,-0.4 39,-2.5 37,-0.3 2,-0.5 -0.803 22.6-172.4-100.5 130.9 22.7 -3.5 16.6 62 63 A I E -bd 31 100A 36 -32,-2.6 -30,-1.9 -2,-0.5 2,-0.6 -0.977 3.3-168.2-118.8 123.0 20.7 -1.1 18.6 63 64 A I E -bd 32 101A 0 37,-3.0 39,-2.4 -2,-0.5 2,-0.7 -0.954 9.4-153.2-114.1 115.9 19.8 2.3 17.2 64 65 A L E -bd 33 102A 0 -32,-3.0 -30,-2.6 -2,-0.6 2,-1.4 -0.803 5.7-156.0 -93.1 116.2 18.4 4.8 19.6 65 66 A L E -bd 34 103A 4 37,-2.9 2,-2.0 -2,-0.7 39,-1.3 -0.785 22.1-151.6 -88.0 92.7 16.2 7.4 18.0 66 67 A A > + 0 0 0 -32,-1.7 4,-1.9 -2,-1.4 5,-0.1 -0.440 36.3 154.2 -72.4 73.3 16.9 9.9 20.8 67 68 A D H > S+ 0 0 0 -2,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.894 73.1 48.5 -69.9 -40.6 13.7 11.9 20.8 68 69 A L H > S+ 0 0 17 -3,-0.2 4,-3.3 2,-0.2 5,-0.2 0.933 112.1 49.2 -65.4 -46.5 13.8 12.9 24.5 69 70 A H H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 112.0 48.8 -57.8 -44.0 17.4 14.0 24.2 70 71 A A H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 6,-0.3 0.866 111.5 50.4 -64.4 -35.4 16.6 16.0 21.1 71 72 A Y H ><5S+ 0 0 106 -4,-2.0 3,-1.4 1,-0.2 5,-0.3 0.935 110.9 48.1 -66.5 -45.4 13.7 17.5 23.0 72 73 A L H 3<5S+ 0 0 29 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.803 109.6 55.1 -64.8 -27.3 16.0 18.4 25.9 73 74 A N T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 -0.022 122.3-102.7 -98.0 29.9 18.4 19.9 23.3 74 75 A Q T < 5S+ 0 0 82 -3,-1.4 -3,-0.2 2,-0.1 -2,-0.1 0.841 75.6 137.6 56.5 46.0 15.8 22.2 21.8 75 76 A K < - 0 0 73 -5,-2.2 2,-0.3 1,-0.3 -4,-0.2 0.411 68.1-102.3 -97.1 0.8 14.9 20.4 18.6 76 77 A G - 0 0 31 -5,-0.3 -1,-0.3 -6,-0.3 2,-0.2 -0.844 65.8 -9.0 120.1-156.2 11.2 21.0 19.1 77 78 A E > - 0 0 124 -2,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.601 61.2-119.2 -86.9 145.5 8.2 19.1 20.3 78 79 A L H > S+ 0 0 47 -2,-0.2 4,-3.1 1,-0.2 5,-0.1 0.859 110.3 47.0 -48.4 -50.8 8.3 15.3 20.9 79 80 A D H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 115.0 47.3 -63.6 -39.6 5.7 14.2 18.3 80 81 A E H > S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.938 115.5 45.8 -63.5 -45.5 7.3 16.4 15.7 81 82 A I H X S+ 0 0 4 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.880 108.1 59.2 -62.3 -38.6 10.7 15.0 16.7 82 83 A R H X S+ 0 0 90 -4,-3.1 4,-1.4 -5,-0.3 -1,-0.2 0.836 104.2 49.1 -61.2 -35.6 9.2 11.5 16.7 83 84 A K H X S+ 0 0 137 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.851 109.4 50.4 -76.1 -32.2 8.2 11.8 13.0 84 85 A I H X S+ 0 0 48 -4,-1.5 4,-2.1 1,-0.2 -47,-0.3 0.850 109.3 53.4 -70.1 -32.8 11.7 13.0 11.9 85 86 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.882 105.2 54.8 -66.3 -35.6 13.1 10.1 13.9 86 87 A D H X S+ 0 0 69 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.930 108.3 47.4 -61.0 -47.5 10.7 7.8 11.9 87 88 A Y H X S+ 0 0 73 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.877 108.5 55.3 -61.7 -40.6 12.1 9.2 8.6 88 89 A N H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.888 101.8 58.0 -61.3 -39.6 15.7 8.7 9.9 89 90 A K H X S+ 0 0 69 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.926 107.6 47.1 -56.6 -45.7 14.9 5.0 10.5 90 91 A K H X S+ 0 0 91 -4,-1.5 4,-3.3 2,-0.2 -1,-0.2 0.908 111.0 50.2 -64.1 -42.4 14.0 4.6 6.9 91 92 A V H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.877 112.5 48.8 -62.7 -36.0 17.1 6.4 5.7 92 93 A F H <>S+ 0 0 0 -4,-2.6 5,-1.7 2,-0.2 -2,-0.2 0.869 112.4 46.8 -70.5 -37.9 19.1 4.1 8.0 93 94 A E H ><5S+ 0 0 83 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.918 108.1 57.0 -69.4 -39.3 17.3 1.1 6.6 94 95 A A H 3<5S+ 0 0 3 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.761 98.8 61.0 -61.1 -25.6 18.0 2.4 3.1 95 96 A M T 3<5S- 0 0 16 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.530 126.4-103.0 -78.9 -5.1 21.7 2.4 4.0 96 97 A G T < 5S+ 0 0 41 -3,-2.4 2,-0.8 1,-0.2 -3,-0.2 0.679 71.9 147.1 93.1 19.7 21.4 -1.3 4.5 97 98 A L < - 0 0 4 -5,-1.7 2,-0.7 -4,-0.1 -1,-0.2 -0.808 28.6-167.8 -96.8 110.9 21.3 -1.4 8.3 98 99 A K + 0 0 149 -2,-0.8 2,-0.3 -46,-0.0 -37,-0.3 -0.854 37.8 123.2 -92.7 116.0 19.2 -4.2 9.7 99 100 A A - 0 0 26 -2,-0.7 2,-0.6 -39,-0.1 -37,-0.2 -0.989 66.1 -78.3-165.3 172.6 18.8 -3.5 13.4 100 101 A K E -d 62 0A 160 -39,-2.5 -37,-3.0 -2,-0.3 2,-0.6 -0.733 42.8-162.4 -83.6 118.2 16.6 -2.8 16.4 101 102 A Y E +d 63 0A 31 -2,-0.6 2,-0.4 -39,-0.2 -37,-0.2 -0.913 13.9 173.3-106.5 122.3 15.3 0.7 16.3 102 103 A V E -d 64 0A 60 -39,-2.4 -37,-2.9 -2,-0.6 2,-0.2 -0.983 27.4-134.6-131.9 140.8 14.0 2.2 19.6 103 104 A Y E -d 65 0A 39 -2,-0.4 -37,-0.2 -39,-0.2 4,-0.2 -0.519 19.8-135.3 -81.1 158.2 12.8 5.6 20.7 104 105 A G S >> S+ 0 0 0 -39,-1.3 4,-2.4 -2,-0.2 3,-1.6 0.878 91.0 67.3 -85.2 -38.4 14.1 6.8 24.0 105 106 A S H 3> S+ 0 0 14 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.771 84.1 71.7 -54.4 -33.6 11.0 8.3 25.6 106 107 A P H 34 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.798 122.4 12.5 -56.3 -27.0 9.1 4.9 26.0 107 108 A F H X4 S+ 0 0 49 -3,-1.6 3,-1.2 -4,-0.2 -2,-0.2 0.583 112.9 76.6-123.7 -16.9 11.5 4.0 28.8 108 109 A Q H 3< S+ 0 0 3 -4,-2.4 -3,-0.2 1,-0.2 -4,-0.1 0.394 96.5 50.8 -77.7 3.3 13.4 7.2 29.6 109 110 A L T 3< S+ 0 0 114 -4,-0.6 -1,-0.2 -5,-0.2 2,-0.1 0.231 81.1 128.6-121.1 9.5 10.4 8.6 31.6 110 111 A D S <> S- 0 0 79 -3,-1.2 4,-2.7 1,-0.1 5,-0.3 -0.427 70.6-113.9 -71.4 138.7 9.9 5.5 33.7 111 112 A K H > S+ 0 0 178 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.816 115.3 37.7 -36.7 -53.2 9.7 5.9 37.5 112 113 A D H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.853 111.6 57.4 -74.2 -37.4 12.9 4.1 38.3 113 114 A Y H > S+ 0 0 0 -3,-0.3 4,-1.2 1,-0.2 -2,-0.2 0.913 109.1 48.6 -59.5 -40.6 14.8 5.4 35.3 114 115 A T H X S+ 0 0 35 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.878 107.2 52.3 -68.2 -39.9 14.1 8.9 36.6 115 116 A L H X S+ 0 0 116 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.876 109.4 52.6 -64.7 -32.8 15.2 8.1 40.1 116 117 A N H X S+ 0 0 34 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.817 105.4 53.9 -70.3 -30.4 18.4 6.8 38.5 117 118 A V H X S+ 0 0 11 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.913 110.5 46.0 -68.0 -43.0 18.8 10.1 36.6 118 119 A Y H X S+ 0 0 147 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.801 109.7 55.2 -69.4 -29.7 18.5 12.0 39.9 119 120 A R H >< S+ 0 0 91 -4,-1.8 3,-0.8 2,-0.2 4,-0.4 0.941 111.2 44.2 -66.4 -47.9 21.0 9.6 41.5 120 121 A L H >X S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.9 0.845 106.4 60.8 -64.3 -35.3 23.5 10.4 38.7 121 122 A A H 3< S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.752 99.2 58.9 -64.1 -22.1 22.7 14.1 39.0 122 123 A L T << S+ 0 0 157 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.657 112.3 37.5 -80.9 -17.1 24.0 13.8 42.6 123 124 A K T <4 S+ 0 0 104 -3,-1.4 2,-0.6 -4,-0.4 -2,-0.2 0.418 101.0 84.7-113.2 -1.6 27.4 12.6 41.4 124 125 A T S < S- 0 0 16 -4,-0.9 -1,-0.1 -3,-0.0 28,-0.1 -0.896 71.5-140.9-107.3 113.1 27.7 14.8 38.3 125 126 A T > - 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0 0 118 1,-0.1 -1,-0.1 -65,-0.1 -2,-0.1 -0.413 49.1 -91.1 -62.8 140.0 22.3 23.7 20.9 139 140 A E + 0 0 195 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.344 62.1 160.6 -58.6 130.2 23.7 27.2 20.7 140 141 A D - 0 0 40 -3,-0.1 -3,-0.0 1,-0.1 -1,-0.0 -0.931 41.1-152.2-156.6 127.8 22.1 29.4 23.4 141 142 A E S S+ 0 0 183 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.688 101.9 44.7 -72.6 -17.2 23.1 32.6 25.1 142 143 A N S S- 0 0 109 -3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.609 91.2-144.1-129.6 73.3 21.2 31.5 28.1 143 144 A P - 0 0 56 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 -0.030 18.4-138.5 -39.8 124.0 22.0 27.9 28.8 144 145 A K > - 0 0 98 1,-0.1 3,-1.2 0, 0.0 4,-0.4 -0.427 19.7-113.9 -86.6 162.2 19.0 26.1 30.1 145 146 A V T >> S+ 0 0 112 1,-0.3 3,-1.5 2,-0.2 4,-1.0 0.851 113.9 71.3 -62.1 -32.8 18.9 23.5 32.9 146 147 A A H 3> S+ 0 0 29 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.790 84.5 69.1 -53.8 -30.1 17.9 21.0 30.2 147 148 A E H <4 S+ 0 0 25 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.861 103.5 40.5 -61.1 -35.4 21.5 21.2 28.9 148 149 A V H <> S+ 0 0 21 -3,-1.5 4,-0.8 -4,-0.4 -1,-0.2 0.631 109.2 58.5 -90.4 -13.1 22.9 19.5 32.0 149 150 A I H X S+ 0 0 61 -4,-1.0 4,-2.2 -3,-0.3 5,-0.2 0.886 95.7 68.2 -77.5 -39.0 20.2 16.9 32.3 150 151 A Y H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.882 98.1 47.5 -44.9 -55.6 21.0 15.7 28.7 151 152 A P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.934 112.6 46.9 -59.0 -47.2 24.4 14.2 29.6 152 153 A I H X S+ 0 0 9 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.829 110.5 55.8 -64.2 -28.4 23.2 12.3 32.7 153 154 A M H X S+ 0 0 6 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.908 106.2 49.8 -68.0 -41.6 20.3 11.1 30.6 154 155 A Q H X S+ 0 0 1 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.913 111.0 50.2 -63.3 -39.7 22.8 9.8 28.0 155 156 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.880 109.5 49.6 -65.8 -38.3 24.7 8.0 30.8 156 157 A N H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.840 108.3 54.2 -70.8 -30.2 21.5 6.4 32.2 157 158 A T H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.4 0.887 103.7 54.3 -70.5 -37.7 20.5 5.2 28.8 158 159 A S H X>S+ 0 0 11 -4,-1.7 4,-1.1 2,-0.2 5,-0.6 0.896 112.4 46.4 -61.1 -37.4 23.9 3.5 28.4 159 160 A H H <5S+ 0 0 79 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.968 116.3 43.3 -66.0 -54.9 23.1 1.7 31.7 160 161 A R H <5S+ 0 0 84 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.927 114.2 47.5 -57.2 -55.2 19.6 0.8 30.7 161 162 A L H <5S- 0 0 39 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.792 91.6-156.9 -59.5 -29.9 20.3 -0.4 27.2 162 163 A G T <5 + 0 0 46 -4,-1.1 2,-0.2 -5,-0.4 -3,-0.1 0.894 23.5 170.0 52.2 50.0 23.2 -2.4 28.5 163 164 A V < - 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