==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-MAY-04 1WEI . COMPND 2 MOLECULE: A/G-SPECIFIC ADENINE GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.HITOMI,A.S.ARVAI,J.A.TAINER . 220 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.8 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 . 6 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 2 1 1 2 0 0 1 1 1 1 1 1 0 0 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 1 A M 0 0 64 0, 0.0 5,-0.1 0, 0.0 206,-0.1 0.000 360.0 360.0 360.0 134.0 30.1 7.9 0.1 2 2 A Q > - 0 0 147 1,-0.1 4,-2.3 3,-0.1 3,-0.5 -0.234 360.0-127.7 -53.5 135.7 30.3 4.6 -1.7 3 3 A A H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.891 108.1 53.5 -52.8 -47.0 27.8 2.1 -0.3 4 4 A S H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.847 111.6 45.9 -60.0 -35.3 30.4 -0.6 0.3 5 5 A Q H > S+ 0 0 85 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.860 109.0 56.9 -75.4 -36.0 32.5 1.8 2.3 6 6 A F H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.967 111.8 39.7 -58.5 -56.9 29.4 3.0 4.2 7 7 A S H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.894 115.4 52.9 -62.5 -39.8 28.5 -0.5 5.5 8 8 A A H X S+ 0 0 37 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.915 111.2 45.6 -62.7 -43.6 32.2 -1.4 6.1 9 9 A Q H X S+ 0 0 27 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.887 113.0 49.6 -68.5 -38.9 32.8 1.7 8.2 10 10 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.899 112.2 48.1 -66.9 -40.7 29.6 1.3 10.3 11 11 A L H X S+ 0 0 24 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.907 110.5 50.3 -67.0 -41.5 30.4 -2.4 11.0 12 12 A D H X S+ 0 0 110 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.884 112.2 49.2 -63.1 -37.5 33.9 -1.7 12.0 13 13 A W H >X>S+ 0 0 42 -4,-1.8 4,-2.2 1,-0.2 3,-1.3 0.937 109.1 51.6 -65.6 -46.9 32.6 1.0 14.4 14 14 A Y H 3X5S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.864 102.0 61.0 -59.5 -37.7 30.0 -1.3 15.8 15 15 A D H 3<5S+ 0 0 109 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.720 115.6 32.7 -63.3 -21.3 32.6 -4.0 16.6 16 16 A K H <<5S+ 0 0 153 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.695 139.8 14.8-107.7 -26.4 34.4 -1.6 18.9 17 17 A Y H <5S+ 0 0 134 -4,-2.2 2,-2.2 -5,-0.1 -3,-0.2 0.376 86.6 122.6-127.2 -3.6 31.7 0.6 20.4 18 18 A G << - 0 0 20 -4,-2.4 2,-1.3 -5,-0.5 -4,-0.1 -0.407 45.1-166.6 -67.1 80.9 28.7 -1.5 19.5 19 19 A R + 0 0 182 -2,-2.2 2,-0.5 1,-0.1 3,-0.2 -0.576 17.0 167.2 -72.8 95.2 27.3 -2.1 22.9 20 20 A A + 0 0 34 -2,-1.3 -1,-0.1 1,-0.2 -2,-0.1 -0.543 35.4 113.1-110.0 64.5 24.8 -4.9 22.3 21 21 A T + 0 0 117 -2,-0.5 -1,-0.2 5,-0.1 5,-0.1 0.326 37.4 121.6-116.0 4.7 24.1 -5.9 25.9 22 22 A L S > S- 0 0 43 -3,-0.2 3,-2.4 1,-0.1 4,-0.5 -0.334 76.9-106.4 -67.5 153.1 20.4 -4.8 26.3 23 23 A P G > S+ 0 0 33 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.850 119.6 50.9 -46.7 -45.5 17.9 -7.6 27.2 24 24 A W G 3 S+ 0 0 12 1,-0.2 5,-0.2 8,-0.1 12,-0.1 0.418 104.2 59.8 -78.3 3.9 16.4 -7.7 23.7 25 25 A Q G < S+ 0 0 19 -3,-2.4 2,-0.4 3,-0.1 3,-0.3 0.456 92.3 78.8-107.4 -4.2 19.8 -8.1 22.2 26 26 A I S < S- 0 0 81 -3,-1.2 3,-0.1 -4,-0.5 -5,-0.1 -0.900 110.1 -4.9-109.3 132.6 20.7 -11.3 24.0 27 27 A D S S- 0 0 133 -2,-0.4 -1,-0.2 1,-0.1 5,-0.1 0.941 93.8-154.8 51.4 50.3 19.3 -14.7 23.0 28 28 A K + 0 0 76 -3,-0.3 -1,-0.1 100,-0.1 -3,-0.1 -0.230 24.0 171.7 -61.2 142.0 17.3 -12.9 20.3 29 29 A T > - 0 0 55 -5,-0.2 4,-2.4 -3,-0.1 5,-0.3 -0.941 47.3-106.6-142.8 157.0 14.1 -14.4 19.0 30 30 A P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.887 119.9 54.5 -55.1 -39.1 11.5 -12.7 16.7 31 31 A Y H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.955 110.2 43.8 -59.8 -52.9 9.1 -12.4 19.6 32 32 A K H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 115.3 48.0 -62.6 -40.0 11.6 -10.6 21.8 33 33 A V H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.932 112.3 49.7 -67.3 -43.1 12.8 -8.2 19.1 34 34 A W H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.946 111.5 48.7 -58.6 -50.1 9.2 -7.4 18.1 35 35 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.931 114.1 45.6 -57.1 -47.9 8.2 -6.7 21.6 36 36 A S H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.884 110.5 53.0 -65.7 -38.9 11.2 -4.4 22.2 37 37 A E H X S+ 0 0 23 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.910 109.7 48.7 -63.6 -41.3 10.7 -2.6 18.9 38 38 A V H >< S+ 0 0 6 -4,-2.3 3,-0.6 -5,-0.2 4,-0.4 0.928 113.7 46.0 -64.9 -43.5 7.1 -1.8 19.7 39 39 A M H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 4,-0.4 0.890 114.3 49.1 -65.7 -36.9 8.1 -0.5 23.1 40 40 A L H 3< S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.594 85.3 90.9 -79.0 -11.5 10.9 1.5 21.7 41 41 A Q T << S+ 0 0 87 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.1 0.863 113.8 0.7 -52.2 -42.3 8.9 3.1 18.9 42 42 A Q S < S+ 0 0 101 -3,-0.6 2,-0.4 -4,-0.4 -1,-0.2 0.176 120.2 78.6-136.1 19.1 7.9 6.1 21.1 43 43 A T S S- 0 0 22 -4,-0.4 37,-0.1 -3,-0.1 38,-0.0 -0.985 78.0-108.1-133.8 142.6 9.7 5.5 24.4 44 44 A Q > - 0 0 152 -2,-0.4 4,-2.0 1,-0.1 3,-0.4 -0.329 29.2-118.7 -67.0 147.4 13.3 6.0 25.6 45 45 A V H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.865 110.6 56.1 -52.5 -46.7 15.5 2.9 26.2 46 46 A A H 4 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.897 111.1 44.6 -56.7 -41.2 16.1 3.6 29.9 47 47 A T H > S+ 0 0 58 -3,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.876 112.1 53.2 -70.8 -37.9 12.3 3.7 30.5 48 48 A V H >X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 3,-0.5 0.832 88.4 77.7 -68.0 -37.3 11.6 0.6 28.4 49 49 A I H 3X S+ 0 0 56 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.870 95.4 45.1 -44.2 -55.0 14.1 -1.8 30.1 50 50 A P H 3> S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.878 115.2 48.8 -61.0 -36.7 12.0 -2.6 33.2 51 51 A Y H S- 0 0 65 -3,-0.1 4,-1.3 1,-0.1 3,-0.5 -0.897 85.2-109.9-133.7 163.4 5.9 -16.7 24.8 62 62 A V H > S+ 0 0 5 -2,-0.3 4,-2.5 40,-0.3 35,-0.2 0.811 116.7 59.1 -62.8 -30.2 3.7 -14.9 22.3 63 63 A T H > S+ 0 0 47 39,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.871 101.8 53.6 -68.1 -34.8 0.9 -17.4 23.1 64 64 A D H > S+ 0 0 64 -3,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.876 111.4 46.0 -66.1 -36.2 0.9 -16.4 26.7 65 65 A L H < S+ 0 0 0 -4,-1.3 3,-0.5 2,-0.2 -2,-0.2 0.912 111.6 52.0 -70.8 -42.0 0.5 -12.8 25.7 66 66 A A H < S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 111.3 46.4 -60.6 -43.2 -2.3 -13.7 23.2 67 67 A N H < S+ 0 0 127 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.644 92.4 98.8 -76.8 -15.8 -4.2 -15.6 25.9 68 68 A A S < S- 0 0 6 -4,-0.8 2,-0.1 -3,-0.5 -3,-0.0 -0.377 86.4 -97.5 -73.6 151.4 -3.9 -12.9 28.5 69 69 A P >> - 0 0 81 0, 0.0 4,-1.5 0, 0.0 3,-0.5 -0.392 26.8-127.5 -65.0 144.8 -6.8 -10.5 29.1 70 70 A L H 3> S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.904 108.8 61.4 -60.5 -40.1 -6.3 -7.1 27.3 71 71 A D H 3> S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.847 103.3 49.9 -55.3 -36.4 -6.9 -5.3 30.6 72 72 A E H <> S+ 0 0 58 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.901 109.8 50.4 -69.8 -40.3 -3.9 -7.0 32.1 73 73 A V H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.923 112.0 47.1 -62.2 -45.3 -1.7 -6.0 29.1 74 74 A L H X S+ 0 0 31 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.876 110.1 53.8 -64.9 -37.3 -2.8 -2.4 29.4 75 75 A H H >< S+ 0 0 133 -4,-1.9 3,-0.6 -5,-0.3 -2,-0.2 0.925 110.4 45.7 -63.8 -43.6 -2.2 -2.4 33.1 76 76 A L H 3< S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.768 109.6 56.5 -70.6 -23.9 1.4 -3.7 32.6 77 77 A W H >< S+ 0 0 0 -4,-1.4 3,-2.5 -5,-0.2 4,-0.3 0.703 77.3 127.4 -79.2 -20.7 1.9 -1.1 29.9 78 78 A T T << S+ 0 0 77 -4,-1.0 -3,-0.1 -3,-0.6 -4,-0.0 -0.103 70.8 27.9 -43.4 119.2 1.0 1.7 32.2 79 79 A G T 3 S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.166 98.0 86.7 112.1 -16.5 3.7 4.3 32.1 80 80 A L S < S- 0 0 8 -3,-2.5 -2,-0.1 1,-0.1 -38,-0.1 0.649 80.0-151.4 -87.8 -17.1 4.9 3.7 28.5 81 81 A G + 0 0 26 -4,-0.3 4,-0.1 -38,-0.0 -39,-0.1 0.078 65.0 74.5 68.6 173.5 2.4 6.0 27.0 82 82 A Y > - 0 0 151 1,-0.1 3,-1.7 2,-0.1 4,-0.3 0.936 57.5-172.5 47.3 62.8 0.9 5.7 23.5 83 83 A Y T >> + 0 0 89 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.584 69.6 82.8 -61.4 -15.4 -1.4 2.8 24.3 84 84 A A H 3> S+ 0 0 67 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.876 89.5 58.3 -57.8 -32.3 -2.5 2.2 20.7 85 85 A R H <> S+ 0 0 13 -3,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.867 104.8 48.4 -62.3 -39.0 0.8 0.2 20.6 86 86 A A H <> S+ 0 0 0 -3,-0.6 4,-2.4 -4,-0.3 -2,-0.2 0.903 110.9 49.6 -69.3 -42.5 -0.4 -2.0 23.4 87 87 A R H X S+ 0 0 121 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.915 115.0 43.9 -63.9 -43.1 -3.7 -2.7 21.8 88 88 A N H X S+ 0 0 54 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.854 109.4 58.6 -69.3 -33.6 -2.1 -3.5 18.5 89 89 A L H X S+ 0 0 3 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.943 108.2 44.9 -59.2 -48.0 0.5 -5.6 20.4 90 90 A H H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.888 112.9 50.3 -64.9 -40.8 -2.2 -7.8 21.8 91 91 A K H X S+ 0 0 124 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 110.7 50.0 -64.0 -41.2 -4.0 -8.1 18.5 92 92 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.894 109.0 51.9 -64.2 -40.7 -0.8 -9.1 16.8 93 93 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -27,-0.2 0.913 111.1 47.6 -62.1 -41.9 -0.1 -11.7 19.5 94 94 A Q H X S+ 0 0 86 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.859 109.5 53.3 -67.8 -34.2 -3.6 -13.1 18.9 95 95 A Q H X>S+ 0 0 47 -4,-2.2 4,-3.2 2,-0.2 5,-0.6 0.907 109.3 49.1 -66.5 -40.1 -3.1 -13.1 15.2 96 96 A V H X5S+ 0 0 0 -4,-2.3 6,-2.0 2,-0.2 4,-1.2 0.894 113.3 46.5 -65.3 -39.1 0.1 -15.1 15.6 97 97 A A H <5S+ 0 0 31 -4,-2.0 4,-0.4 4,-0.2 -2,-0.2 0.909 120.4 39.9 -68.8 -40.6 -1.6 -17.6 17.9 98 98 A T H <5S+ 0 0 113 -4,-2.6 -2,-0.2 -5,-0.2 3,-0.2 0.938 128.5 24.8 -75.4 -51.0 -4.5 -17.9 15.5 99 99 A L H <5S+ 0 0 115 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.758 130.5 36.2 -88.7 -27.4 -2.9 -17.9 12.0 100 100 A H S >< S- 0 0 66 1,-0.1 4,-1.8 0, 0.0 3,-0.2 -0.895 78.4-126.1-111.5 141.1 8.7 -14.4 6.7 108 108 A F H > S+ 0 0 37 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.890 104.3 49.3 -51.9 -53.5 8.4 -10.8 5.8 109 109 A E H > S+ 0 0 126 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.879 112.4 48.3 -57.8 -40.6 4.8 -10.6 4.5 110 110 A E H 4 S+ 0 0 74 -3,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.839 114.7 45.7 -70.5 -33.5 3.4 -12.4 7.5 111 111 A V H >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.940 112.8 49.1 -73.4 -48.0 5.3 -10.2 9.9 112 112 A A H 3< S+ 0 0 32 -4,-3.1 5,-0.2 1,-0.3 -2,-0.2 0.760 102.3 65.0 -62.8 -23.8 4.3 -7.0 8.1 113 113 A A T 3< S+ 0 0 63 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.632 80.8 104.3 -74.6 -12.5 0.7 -8.2 8.1 114 114 A L S X S- 0 0 4 -3,-1.8 3,-1.7 -4,-0.2 -22,-0.1 -0.424 85.3-101.3 -71.1 144.2 0.6 -7.9 11.9 115 115 A P T 3 S+ 0 0 37 0, 0.0 -23,-0.2 0, 0.0 -1,-0.1 -0.386 107.7 19.1 -63.4 138.8 -1.2 -5.0 13.4 116 116 A G T 3 S+ 0 0 35 1,-0.2 2,-0.5 -4,-0.1 -27,-0.1 0.484 102.3 105.8 80.8 1.6 1.2 -2.3 14.6 117 117 A V < - 0 0 12 -3,-1.7 -1,-0.2 -5,-0.2 2,-0.1 -0.966 45.4-179.8-121.0 120.7 4.1 -3.5 12.4 118 118 A G > - 0 0 39 -2,-0.5 4,-2.6 -3,-0.1 5,-0.2 -0.275 48.3 -77.3-103.2-168.0 5.2 -1.7 9.3 119 119 A R H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.887 129.0 43.8 -58.7 -43.3 7.8 -2.3 6.6 120 120 A S H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.934 114.6 47.2 -70.8 -47.2 10.6 -1.0 8.8 121 121 A T H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.893 112.3 50.6 -62.9 -38.7 9.6 -2.8 12.0 122 122 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.924 110.8 49.5 -64.1 -42.1 9.1 -6.0 10.0 123 123 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 5,-0.3 0.884 111.7 49.2 -63.1 -37.7 12.6 -5.6 8.6 124 124 A A H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 5,-0.4 0.921 109.0 51.5 -67.9 -45.2 14.0 -4.9 12.0 125 125 A I H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 5,-0.3 0.947 117.9 37.2 -57.2 -51.1 12.4 -8.0 13.6 126 126 A L H X S+ 0 0 0 -4,-2.2 6,-1.9 2,-0.2 4,-1.6 0.852 118.2 47.7 -73.8 -35.7 13.7 -10.4 10.9 127 127 A S H X S+ 0 0 0 -4,-2.3 4,-1.2 4,-0.3 -2,-0.2 0.940 117.8 40.7 -71.1 -45.5 17.1 -8.8 10.4 128 128 A L H < S+ 0 0 6 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.863 124.2 35.4 -72.2 -37.2 18.0 -8.6 14.1 129 129 A S H < S+ 0 0 19 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.808 137.1 14.8 -88.9 -30.0 16.6 -11.9 15.2 130 130 A L H < S- 0 0 69 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.455 95.6-116.3-123.4 -4.8 17.4 -14.1 12.2 131 131 A G < + 0 0 23 -4,-1.2 -4,-0.3 -5,-0.4 46,-0.2 0.758 53.3 167.1 74.4 22.5 19.9 -12.2 10.1 132 132 A K - 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