==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-OCT-04 1XQO . COMPND 2 MOLECULE: 8-OXOGUANINE DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROBACULUM AEROPHILUM; . AUTHOR G.M.LINGARAJU,A.A.SARTORI,D.KOSTREWA,A.E.PROTA,J.JIRICNY, . 253 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 1 1 0 2 2 3 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A > 0 0 81 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.5 6.4 -0.2 18.2 2 3 A A H > + 0 0 44 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.872 360.0 48.9 -63.7 -37.6 5.0 2.3 20.8 3 4 A E H > S+ 0 0 173 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 114.2 44.6 -69.0 -44.1 4.8 -0.4 23.5 4 5 A S H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.871 113.3 50.8 -70.0 -38.2 8.4 -1.7 22.9 5 6 A Q H X S+ 0 0 14 -4,-2.7 4,-2.8 177,-0.3 -2,-0.2 0.893 107.4 54.0 -63.9 -38.5 9.7 1.9 22.7 6 7 A L H X S+ 0 0 47 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.936 109.7 48.2 -60.4 -44.5 8.0 2.7 26.0 7 8 A K H X S+ 0 0 118 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.928 111.7 49.1 -60.6 -46.1 9.7 -0.3 27.6 8 9 A R H X S+ 0 0 108 -4,-2.4 4,-1.7 1,-0.2 5,-0.2 0.935 111.4 49.5 -61.4 -43.9 13.1 0.7 26.2 9 10 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.942 113.7 45.8 -59.0 -49.2 12.7 4.3 27.4 10 11 A I H X S+ 0 0 14 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.933 113.2 48.3 -59.7 -48.3 11.7 3.1 30.9 11 12 A E H < S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.715 115.6 45.2 -72.3 -18.2 14.5 0.6 31.2 12 13 A T H >< S+ 0 0 22 -4,-1.7 3,-1.7 -5,-0.2 -1,-0.2 0.881 112.2 48.7 -85.2 -46.4 17.1 3.1 30.0 13 14 A L H >< S+ 0 0 4 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.772 97.3 72.8 -67.4 -23.0 15.9 6.0 32.1 14 15 A R T 3< S+ 0 0 121 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.662 81.9 72.7 -60.1 -15.8 15.9 3.6 35.1 15 16 A R T < S+ 0 0 164 -3,-1.7 2,-0.4 -5,-0.1 -1,-0.3 0.645 92.2 67.6 -72.1 -15.7 19.7 3.9 34.8 16 17 A L S < S- 0 0 20 -3,-2.2 2,-0.2 -4,-0.1 220,-0.0 -0.890 76.8-143.1-108.1 135.2 19.4 7.4 36.3 17 18 A G >> - 0 0 28 -2,-0.4 4,-1.7 1,-0.1 3,-0.5 -0.630 25.5-114.7 -91.4 155.9 18.3 8.1 39.9 18 19 A I H 3> S+ 0 0 48 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.857 116.9 59.9 -56.4 -34.9 16.0 11.0 41.0 19 20 A E H 3> S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 103.1 51.0 -64.2 -38.5 19.1 12.4 43.0 20 21 A E H <> S+ 0 0 98 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.892 109.9 50.4 -62.9 -36.7 21.1 12.7 39.7 21 22 A V H X S+ 0 0 1 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.928 107.8 51.9 -66.3 -45.0 18.2 14.6 38.1 22 23 A L H X S+ 0 0 7 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.879 109.2 51.4 -58.8 -39.1 17.9 17.0 41.0 23 24 A K H >< S+ 0 0 132 -4,-1.8 3,-1.0 1,-0.2 4,-0.4 0.921 106.3 54.1 -64.6 -40.4 21.6 17.6 40.6 24 25 A L H >X S+ 0 0 33 -4,-2.0 3,-1.7 1,-0.2 4,-0.6 0.809 95.8 68.3 -61.4 -32.9 21.2 18.3 36.9 25 26 A E H >< S+ 0 0 2 -4,-1.6 3,-1.1 1,-0.3 6,-0.3 0.849 89.5 62.8 -59.6 -30.3 18.6 20.9 37.6 26 27 A R T << S+ 0 0 49 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.711 101.7 52.6 -64.3 -21.2 21.2 23.2 39.2 27 28 A R T <4 S+ 0 0 161 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.579 82.4 110.2 -87.7 -14.5 22.9 23.3 35.7 28 29 A D S S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.805 106.5 59.7 -56.2 -28.7 20.1 28.0 32.7 30 31 A Q H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.917 106.6 46.0 -61.6 -43.6 16.4 28.4 33.9 31 32 A Y H > S+ 0 0 22 -3,-0.5 4,-3.0 -6,-0.3 5,-0.2 0.927 112.1 51.2 -62.0 -46.7 17.5 27.4 37.5 32 33 A R H X S+ 0 0 124 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.923 111.3 46.1 -61.9 -43.9 20.6 29.7 37.3 33 34 A A H X S+ 0 0 6 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.930 114.8 47.6 -62.9 -48.3 18.6 32.7 36.3 34 35 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.927 112.6 49.6 -56.3 -46.9 15.9 32.1 38.9 35 36 A a H X S+ 0 0 11 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.912 107.9 52.6 -65.4 -39.9 18.5 31.6 41.6 36 37 A N H X S+ 0 0 81 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.921 112.5 45.7 -59.2 -41.3 20.3 34.8 40.7 37 38 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.900 113.1 49.3 -69.8 -42.2 17.1 36.7 41.0 38 39 A V H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 8,-0.2 0.889 110.9 50.4 -64.2 -41.0 16.1 35.0 44.3 39 40 A K H < S+ 0 0 159 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.878 116.2 42.4 -63.4 -38.3 19.5 35.7 45.7 40 41 A R H < S+ 0 0 102 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.892 130.3 22.6 -71.3 -43.3 19.2 39.4 44.7 41 42 A H H < S- 0 0 31 -4,-2.7 4,-0.5 1,-0.2 -3,-0.2 0.508 105.4-114.9-108.9 -7.4 15.6 40.0 45.8 42 43 A G X - 0 0 34 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 -0.095 41.8 -65.8 86.6 170.9 14.8 37.3 48.4 43 44 A E H > S+ 0 0 43 3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 126.2 45.7 -63.9 -46.6 12.4 34.5 48.2 44 45 A T H > S+ 0 0 90 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.979 121.5 33.9 -70.5 -53.1 9.1 36.3 48.1 45 46 A V H > S+ 0 0 37 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.937 121.0 50.5 -66.2 -44.6 9.9 38.9 45.4 46 47 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.896 110.1 48.9 -62.7 -42.0 12.2 36.6 43.5 47 48 A S H X S+ 0 0 3 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.885 111.6 50.3 -64.3 -38.3 9.6 33.8 43.4 48 49 A R H X S+ 0 0 47 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.923 111.3 47.9 -65.2 -42.9 7.0 36.2 42.2 49 50 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.929 113.8 47.1 -62.6 -43.6 9.2 37.6 39.4 50 51 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.904 111.8 51.5 -63.6 -42.5 10.2 34.1 38.3 51 52 A M H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.930 110.3 47.7 -56.6 -51.8 6.5 33.0 38.4 52 53 A L H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.910 111.7 51.0 -61.5 -40.6 5.4 36.0 36.2 53 54 A N H >< S+ 0 0 0 -4,-2.4 3,-0.5 -5,-0.2 -1,-0.2 0.915 110.8 48.5 -62.2 -41.4 8.3 35.2 33.8 54 55 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.901 105.4 58.4 -62.9 -39.9 7.2 31.6 33.5 55 56 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.739 112.1 40.5 -63.9 -25.9 3.6 32.6 33.0 56 57 A I T << S+ 0 0 0 -4,-1.0 2,-1.8 -3,-0.5 -1,-0.3 0.184 80.4 115.5-108.0 18.0 4.5 34.5 29.9 57 58 A S < + 0 0 6 -3,-1.6 2,-0.3 83,-0.1 3,-0.1 -0.496 53.5 100.6 -86.8 66.3 7.1 32.0 28.6 58 59 A Y + 0 0 56 -2,-1.8 -3,-0.0 1,-0.1 0, 0.0 -0.970 68.0 25.8-144.3 158.6 5.2 31.2 25.4 59 60 A R + 0 0 170 -2,-0.3 40,-0.3 1,-0.1 -1,-0.1 0.933 69.5 150.1 47.6 54.8 5.4 32.3 21.7 60 61 A L > - 0 0 23 -3,-0.1 3,-1.9 38,-0.1 -1,-0.1 0.249 55.5-126.4-101.3 4.1 9.1 33.0 22.1 61 62 A T T 3 S- 0 0 114 1,-0.3 -3,-0.0 2,-0.1 -2,-0.0 0.870 75.3 -49.2 52.6 43.7 10.1 32.2 18.4 62 63 A G T 3 S+ 0 0 67 1,-0.1 -1,-0.3 3,-0.0 3,-0.3 0.515 116.6 109.5 79.7 8.9 12.8 29.8 19.6 63 64 A K <> + 0 0 96 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.058 27.9 122.8-109.6 27.0 14.4 32.1 22.1 64 65 A G H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 77.4 48.4 -55.8 -44.8 13.4 30.5 25.4 65 66 A E H > S+ 0 0 49 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.956 114.0 45.4 -62.0 -45.9 17.0 30.0 26.6 66 67 A E H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.858 109.6 57.4 -62.7 -38.2 17.9 33.6 25.8 67 68 A H H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.924 108.5 44.5 -61.0 -48.8 14.7 34.9 27.4 68 69 A W H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 113.0 51.2 -66.5 -38.4 15.6 33.2 30.8 69 70 A E H X S+ 0 0 104 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.928 111.7 47.9 -62.2 -43.0 19.2 34.5 30.6 70 71 A Y H X S+ 0 0 54 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.909 109.4 53.5 -62.1 -47.0 17.8 38.0 29.9 71 72 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.932 110.4 46.9 -50.0 -50.4 15.4 37.7 32.8 72 73 A G H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.936 115.5 44.3 -64.1 -45.5 18.1 36.8 35.2 73 74 A K H X S+ 0 0 120 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.921 112.8 53.0 -65.7 -39.7 20.5 39.6 34.1 74 75 A Y H < S+ 0 0 35 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.934 119.5 30.1 -62.7 -53.5 17.7 42.2 34.0 75 76 A F H >< S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.2 0.768 109.3 66.5 -84.6 -21.6 16.4 41.6 37.6 76 77 A S H 3< S+ 0 0 35 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.727 111.3 37.7 -67.9 -21.5 19.7 40.5 39.2 77 78 A Q T 3< S+ 0 0 155 -4,-0.8 2,-0.4 -3,-0.4 -1,-0.2 0.066 106.8 76.2-116.7 16.4 21.1 44.0 38.6 78 79 A L S < S- 0 0 72 -3,-1.1 2,-0.2 2,-0.0 -38,-0.0 -0.997 75.6-121.6-136.6 135.0 18.0 46.2 39.2 79 80 A E - 0 0 116 -2,-0.4 2,-0.5 1,-0.0 -2,-0.1 -0.531 26.9-149.9 -69.9 137.3 16.2 47.3 42.4 80 81 A V + 0 0 16 -2,-0.2 3,-0.1 1,-0.1 -35,-0.0 -0.956 30.4 154.5-112.2 130.0 12.6 46.2 42.4 81 82 A I S S+ 0 0 137 -2,-0.5 2,-0.9 1,-0.3 -1,-0.1 0.691 73.1 28.6-117.7 -70.3 10.1 48.4 44.2 82 83 A D S > S- 0 0 63 1,-0.2 4,-2.9 2,-0.0 -1,-0.3 -0.827 75.2-161.9 -98.9 101.0 6.5 48.0 42.8 83 84 A L H > S+ 0 0 11 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.890 83.0 47.2 -58.0 -47.0 6.8 44.5 41.6 84 85 A b H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.956 115.7 44.9 -60.9 -49.5 3.8 44.6 39.2 85 86 A R H > S+ 0 0 180 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.916 113.6 50.2 -60.8 -41.8 4.8 47.8 37.6 86 87 A D H X S+ 0 0 39 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.877 111.4 49.1 -67.2 -37.9 8.4 46.8 37.3 87 88 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.902 109.3 50.7 -67.8 -43.7 7.4 43.5 35.7 88 89 A L H X S+ 0 0 24 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.892 109.8 51.0 -61.1 -40.3 5.1 45.1 33.2 89 90 A K H X S+ 0 0 129 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.899 108.1 53.3 -61.0 -42.6 8.0 47.5 32.2 90 91 A Y H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 3,-0.4 0.906 105.1 54.3 -57.4 -44.8 10.3 44.5 31.8 91 92 A I H < S+ 0 0 1 -4,-2.3 6,-0.2 1,-0.2 -1,-0.2 0.923 109.5 47.8 -57.2 -43.1 7.7 42.9 29.4 92 93 A E H < S+ 0 0 114 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.754 116.3 44.2 -66.8 -30.0 7.8 46.1 27.3 93 94 A T H < S+ 0 0 69 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.747 85.3 105.8 -87.0 -29.9 11.6 46.2 27.2 94 95 A S >< - 0 0 3 -4,-2.2 3,-0.9 1,-0.2 4,-0.1 -0.314 60.1-148.4 -65.2 130.8 12.5 42.6 26.6 95 96 A P T 3 S+ 0 0 65 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.643 97.8 54.7 -62.5 -15.3 13.7 41.8 23.1 96 97 A F T 3 S+ 0 0 52 1,-0.2 3,-0.2 2,-0.1 -33,-0.1 0.531 98.0 57.7-100.9 -8.2 12.2 38.4 23.4 97 98 A L < + 0 0 0 -3,-0.9 -1,-0.2 -6,-0.2 7,-0.2 0.105 65.5 113.2-113.4 18.6 8.5 39.2 24.3 98 99 A K > + 0 0 149 -3,-0.3 3,-1.2 2,-0.1 2,-0.4 0.800 53.7 86.4 -69.5 -31.0 7.5 41.3 21.3 99 100 A I T 3 S- 0 0 66 -40,-0.3 5,-0.1 1,-0.3 -3,-0.0 -0.586 114.2 -7.5 -71.3 124.3 4.9 38.9 19.9 100 101 A G T 3> S+ 0 0 35 -2,-0.4 4,-1.9 1,-0.1 3,-0.4 0.829 82.4 163.7 64.2 35.4 1.6 39.5 21.6 101 102 A V H <> + 0 0 38 -3,-1.2 4,-2.2 1,-0.2 5,-0.2 0.865 68.3 54.4 -60.5 -35.9 3.1 41.9 24.0 102 103 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 109.3 47.2 -66.9 -39.1 -0.3 43.4 25.1 103 104 A A H > S+ 0 0 59 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.834 108.8 55.2 -71.0 -32.2 -1.7 40.0 26.0 104 105 A R H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.920 108.7 48.7 -60.2 -46.5 1.4 39.1 27.9 105 106 A K H X S+ 0 0 37 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.921 110.5 51.0 -60.8 -42.5 0.9 42.3 30.0 106 107 A K H X S+ 0 0 136 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.900 111.1 47.2 -65.5 -37.8 -2.7 41.4 30.6 107 108 A R H X S+ 0 0 53 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.934 112.5 48.7 -67.0 -46.1 -1.8 37.9 31.8 108 109 A A H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 3,-0.4 0.920 108.0 56.2 -58.6 -40.8 0.9 39.2 34.1 109 110 A L H >< S+ 0 0 96 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.900 101.6 55.9 -60.0 -38.3 -1.6 41.7 35.4 110 111 A K H 3< S+ 0 0 116 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.876 119.5 32.7 -59.2 -37.7 -4.0 39.0 36.3 111 112 A A H >< S+ 0 0 0 -4,-1.4 3,-1.4 -3,-0.4 -1,-0.2 0.344 87.7 109.4 -99.5 4.1 -1.3 37.3 38.5 112 113 A b T << S+ 0 0 3 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.1 0.789 86.5 32.7 -57.6 -36.5 0.5 40.5 39.5 113 114 A D T 3 S+ 0 0 134 -4,-0.4 2,-0.4 -3,-0.2 -1,-0.3 0.361 91.0 115.8-100.7 1.8 -0.5 40.5 43.2 114 115 A Y < - 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