==== 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 DNA REPAIR 20-AUG-98 1MUY . COMPND 2 MOLECULE: ADENINE GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.GUAN,J.A.TAINER . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 68.0 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 . 29 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 47.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 2 1 0 1 0 1 1 1 0 3 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 68 0, 0.0 5,-0.1 0, 0.0 206,-0.0 0.000 360.0 360.0 360.0 113.1 -9.5 -3.0 -0.2 2 2 A Q > - 0 0 143 1,-0.1 4,-2.3 3,-0.1 3,-0.4 -0.248 360.0-114.6 -65.5 152.0 -10.6 -6.2 -2.1 3 3 A A H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.835 117.5 56.7 -58.8 -32.1 -13.4 -8.1 -0.5 4 4 A S H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 107.6 48.9 -69.1 -34.4 -11.1 -11.0 0.3 5 5 A Q H > S+ 0 0 80 -3,-0.4 4,-2.9 2,-0.2 5,-0.3 0.907 106.9 57.3 -66.0 -43.0 -8.8 -8.6 2.2 6 6 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.960 111.3 39.6 -53.4 -54.7 -11.9 -7.2 4.1 7 7 A S H X S+ 0 0 16 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.901 114.2 54.4 -70.9 -32.1 -12.9 -10.6 5.5 8 8 A A H X S+ 0 0 45 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.939 110.7 46.7 -59.8 -44.2 -9.3 -11.6 6.1 9 9 A Q H X S+ 0 0 33 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.929 113.9 47.1 -64.5 -42.1 -8.7 -8.5 8.1 10 10 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.936 112.5 49.2 -66.6 -43.0 -11.9 -8.9 10.1 11 11 A L H X S+ 0 0 21 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.913 110.1 51.4 -65.6 -37.6 -11.2 -12.6 10.8 12 12 A D H X S+ 0 0 111 -4,-2.7 4,-1.2 -5,-0.3 -1,-0.2 0.923 111.5 48.0 -62.5 -41.4 -7.7 -11.8 12.0 13 13 A W H >X>S+ 0 0 34 -4,-2.2 4,-2.8 -5,-0.2 5,-0.8 0.942 110.0 50.9 -61.4 -47.8 -9.1 -9.1 14.3 14 14 A Y H 3X5S+ 0 0 17 -4,-2.7 4,-1.4 1,-0.3 -1,-0.2 0.886 105.4 58.1 -59.4 -38.2 -11.7 -11.5 15.7 15 15 A D H 3<5S+ 0 0 112 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.886 118.5 29.3 -59.5 -36.9 -9.0 -14.1 16.4 16 16 A K H <<5S+ 0 0 148 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.651 137.5 21.6-100.8 -20.5 -7.1 -11.7 18.6 17 17 A Y H <5S+ 0 0 171 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.514 96.4 103.1-123.0 -18.5 -9.8 -9.5 20.1 18 18 A G << - 0 0 27 -4,-1.4 2,-0.4 -5,-0.8 165,-0.0 -0.227 52.1-155.4 -65.4 160.8 -12.9 -11.4 19.7 19 19 A R - 0 0 136 1,-0.0 3,-0.1 0, 0.0 -3,-0.0 -0.991 14.4-178.1-134.0 138.4 -14.5 -13.2 22.6 20 20 A K + 0 0 60 -2,-0.4 -2,-0.0 1,-0.1 -1,-0.0 -0.190 56.8 102.5-129.2 36.2 -16.8 -16.2 22.1 21 21 A T + 0 0 92 5,-0.1 -1,-0.1 3,-0.0 5,-0.1 0.087 43.0 122.0-106.9 21.9 -17.7 -16.7 25.8 22 22 A L S >> S- 0 0 25 1,-0.1 3,-2.4 -3,-0.1 4,-0.8 -0.547 78.8-109.6 -73.8 155.8 -21.2 -15.1 25.7 23 23 A P G >4 S+ 0 0 26 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.831 119.2 53.0 -63.1 -28.7 -23.8 -17.7 26.8 24 24 A W G 34 S+ 0 0 9 1,-0.2 5,-0.2 8,-0.1 12,-0.1 0.321 105.0 57.4 -85.9 8.4 -25.2 -18.0 23.3 25 25 A Q G X4 S+ 0 0 11 -3,-2.4 3,-0.5 3,-0.1 2,-0.5 0.532 88.9 85.3-106.8 -12.5 -21.7 -18.8 21.9 26 26 A I T << S- 0 0 74 -4,-0.8 3,-0.1 -3,-0.7 -5,-0.1 -0.810 113.6 -9.8 -87.5 125.6 -21.2 -21.8 24.2 27 27 A D T 3 S- 0 0 135 -2,-0.5 -1,-0.3 1,-0.1 5,-0.1 0.960 96.0-149.9 55.0 54.9 -22.6 -25.0 22.8 28 28 A K < + 0 0 55 -3,-0.5 -1,-0.1 100,-0.1 -3,-0.1 -0.351 25.4 170.7 -66.7 142.6 -24.3 -23.1 20.1 29 29 A T > - 0 0 56 -5,-0.2 4,-2.4 -3,-0.1 5,-0.3 -0.940 48.0-106.4-139.7 159.8 -27.5 -24.3 18.6 30 30 A P H > S+ 0 0 14 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.900 120.8 52.6 -51.0 -43.5 -30.1 -22.7 16.2 31 31 A Y H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.942 110.3 45.9 -60.0 -48.6 -32.5 -22.3 19.2 32 32 A K H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 114.7 46.9 -63.6 -41.2 -29.9 -20.5 21.4 33 33 A V H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.941 112.7 49.5 -69.2 -45.9 -28.8 -18.2 18.6 34 34 A W H X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.952 112.1 48.3 -53.4 -52.5 -32.4 -17.4 17.6 35 35 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.933 114.5 45.6 -55.2 -47.4 -33.4 -16.6 21.2 36 36 A S H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.921 111.0 52.8 -67.2 -39.4 -30.3 -14.4 21.7 37 37 A E H X S+ 0 0 20 -4,-3.0 4,-0.8 1,-0.2 -1,-0.2 0.902 110.2 48.1 -62.8 -41.9 -30.8 -12.6 18.3 38 38 A V H >< S+ 0 0 4 -4,-2.4 3,-0.6 -5,-0.2 4,-0.5 0.933 114.2 46.1 -63.5 -46.3 -34.4 -11.7 19.2 39 39 A M H >< S+ 0 0 0 -4,-2.3 3,-0.7 -5,-0.2 4,-0.4 0.914 114.3 48.4 -62.0 -40.5 -33.5 -10.4 22.6 40 40 A L H 3< S+ 0 0 47 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.641 88.8 83.3 -75.9 -12.8 -30.5 -8.4 21.3 41 41 A Q T << S+ 0 0 84 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.889 113.9 10.5 -73.3 -25.4 -32.4 -6.7 18.5 42 42 A Q S < S+ 0 0 98 -3,-0.7 2,-0.3 -4,-0.5 -1,-0.2 0.203 123.5 69.3-127.9 18.3 -33.8 -3.9 20.7 43 43 A T S S- 0 0 23 -4,-0.4 2,-0.1 -3,-0.2 37,-0.1 -0.991 80.8-112.0-139.2 141.4 -31.8 -4.5 23.9 44 44 A Q >> - 0 0 138 -2,-0.3 4,-2.0 1,-0.1 3,-0.7 -0.400 30.7-116.3 -74.5 150.7 -28.2 -4.1 24.8 45 45 A V H 3> S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.860 111.0 60.2 -54.7 -43.3 -26.1 -7.1 25.5 46 46 A A H 34 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.887 111.5 41.0 -57.3 -36.6 -25.4 -6.3 29.2 47 47 A T H <> S+ 0 0 54 -3,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.884 112.1 55.1 -77.4 -36.7 -29.2 -6.3 29.8 48 48 A V H >X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 3,-0.6 0.850 88.8 77.5 -63.4 -37.4 -29.9 -9.4 27.7 49 49 A I H 3X S+ 0 0 49 -4,-2.2 4,-2.4 1,-0.3 5,-0.2 0.853 96.6 42.0 -52.8 -51.0 -27.4 -11.8 29.4 50 50 A P H 3> S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.857 115.8 51.2 -65.9 -30.2 -29.4 -12.5 32.6 51 51 A Y H > S- 0 0 68 -3,-0.1 4,-1.8 1,-0.1 3,-0.5 -0.936 84.9-111.1-134.2 162.4 -35.7 -26.6 24.3 62 62 A V H 3> S+ 0 0 5 -2,-0.3 4,-2.7 40,-0.3 35,-0.2 0.823 117.2 58.9 -64.4 -29.9 -37.9 -24.8 21.8 63 63 A T H 3> S+ 0 0 47 39,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.889 102.2 52.1 -68.9 -35.6 -40.7 -27.3 22.6 64 64 A D H <> S+ 0 0 64 -3,-0.5 4,-1.0 2,-0.2 -2,-0.2 0.918 112.0 47.5 -60.6 -42.3 -40.6 -26.3 26.3 65 65 A L H >< S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.940 111.8 50.2 -64.2 -46.1 -41.0 -22.7 25.2 66 66 A A H 3< S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.2 47.8 -60.2 -39.3 -43.8 -23.6 22.8 67 67 A N H 3< S+ 0 0 126 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.635 91.4 99.0 -81.8 -12.4 -45.8 -25.5 25.4 68 68 A A S << S- 0 0 5 -4,-1.0 2,-0.1 -3,-0.8 5,-0.0 -0.429 87.1 -99.9 -72.7 148.3 -45.5 -22.8 28.1 69 69 A P >> - 0 0 85 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.435 28.9-124.1 -63.6 139.2 -48.5 -20.4 28.6 70 70 A L H 3> S+ 0 0 60 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.880 109.5 61.8 -53.4 -41.4 -47.9 -17.1 26.8 71 71 A D H 3> S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.880 102.0 51.3 -58.0 -33.1 -48.4 -15.2 30.1 72 72 A E H <> S+ 0 0 70 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.887 109.6 50.1 -70.0 -36.7 -45.4 -17.0 31.6 73 73 A V H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.952 112.4 46.7 -62.5 -48.3 -43.3 -16.0 28.6 74 74 A L H X S+ 0 0 23 -4,-2.9 4,-0.9 2,-0.2 -2,-0.2 0.908 110.6 53.2 -63.8 -41.3 -44.4 -12.4 28.9 75 75 A H H >< S+ 0 0 137 -4,-2.4 3,-0.8 -5,-0.3 -1,-0.2 0.936 111.0 45.8 -61.2 -43.1 -43.8 -12.4 32.6 76 76 A L H 3< S+ 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.794 109.9 55.9 -66.9 -27.7 -40.2 -13.7 32.0 77 77 A W H >< S+ 0 0 0 -4,-1.8 3,-2.8 -5,-0.2 4,-0.4 0.636 78.6 129.0 -72.5 -18.9 -39.7 -11.1 29.3 78 78 A T T << S+ 0 0 75 -4,-0.9 -3,-0.1 -3,-0.8 -4,-0.0 -0.136 71.4 24.8 -51.8 119.1 -40.6 -8.3 31.8 79 79 A G T 3 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.139 99.5 87.5 112.4 -21.0 -38.0 -5.7 31.6 80 80 A L S < S- 0 0 7 -3,-2.8 -2,-0.1 1,-0.1 -38,-0.1 0.665 78.1-154.9 -80.6 -20.3 -36.7 -6.4 28.0 81 81 A G + 0 0 25 -4,-0.4 4,-0.1 1,-0.0 -1,-0.1 0.016 63.7 77.8 65.8 177.9 -39.3 -4.0 26.4 82 82 A Y > - 0 0 147 1,-0.1 3,-1.8 2,-0.1 4,-0.3 0.952 57.8-174.9 49.7 62.5 -40.7 -4.3 22.8 83 83 A Y T >> + 0 0 86 1,-0.3 4,-2.5 2,-0.2 3,-0.6 0.642 68.6 81.4 -75.5 -13.3 -43.0 -7.2 23.8 84 84 A A H 3> S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.867 90.6 58.9 -55.9 -30.6 -44.1 -7.9 20.2 85 85 A R H <> S+ 0 0 10 -3,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.875 105.0 47.3 -59.1 -40.5 -40.8 -9.7 20.1 86 86 A A H <> S+ 0 0 0 -3,-0.6 4,-2.3 -4,-0.3 -2,-0.2 0.869 112.0 49.6 -70.2 -40.6 -42.0 -12.0 22.9 87 87 A R H X S+ 0 0 118 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.937 114.7 44.0 -67.8 -40.6 -45.3 -12.6 21.3 88 88 A N H X S+ 0 0 54 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.878 109.5 58.4 -68.8 -34.2 -43.6 -13.5 18.0 89 89 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.938 109.2 43.8 -56.0 -49.1 -41.0 -15.6 19.9 90 90 A H H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.913 113.2 49.9 -67.6 -42.1 -43.8 -17.8 21.3 91 91 A K H X S+ 0 0 120 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.904 111.5 50.2 -58.1 -43.9 -45.6 -18.1 18.1 92 92 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.934 109.6 50.5 -62.5 -45.7 -42.4 -19.1 16.3 93 93 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -27,-0.2 0.929 110.9 49.5 -57.0 -45.4 -41.7 -21.7 19.0 94 94 A Q H X S+ 0 0 82 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.891 109.3 51.6 -61.3 -38.0 -45.2 -23.0 18.5 95 95 A Q H X>S+ 0 0 50 -4,-2.2 4,-2.9 2,-0.2 5,-0.5 0.891 110.1 49.6 -69.3 -36.3 -44.7 -23.1 14.7 96 96 A V H X5S+ 0 0 0 -4,-2.6 6,-2.2 1,-0.2 4,-1.7 0.932 113.6 45.5 -64.3 -43.7 -41.4 -25.1 15.3 97 97 A A H <5S+ 0 0 31 -4,-2.7 4,-0.3 4,-0.2 -2,-0.2 0.887 121.7 38.8 -61.5 -39.1 -43.2 -27.6 17.6 98 98 A T H <5S+ 0 0 114 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.872 129.7 23.5 -83.3 -44.7 -46.1 -27.9 15.2 99 99 A L H <5S+ 0 0 116 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.738 128.7 37.8 -96.1 -26.0 -44.5 -27.9 11.8 100 100 A H S >< S- 0 0 61 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.884 79.2-122.8-113.6 145.6 -32.7 -24.4 6.3 108 108 A F H > S+ 0 0 47 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.872 103.9 50.4 -56.4 -51.2 -33.1 -20.7 5.4 109 109 A E H > S+ 0 0 140 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.915 112.9 47.3 -60.8 -40.1 -36.7 -20.6 4.0 110 110 A E H 4 S+ 0 0 82 -3,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.901 115.1 45.7 -67.7 -37.1 -38.1 -22.4 7.0 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.944 112.2 50.6 -66.3 -50.3 -36.2 -20.2 9.5 112 112 A A H 3< S+ 0 0 31 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.750 102.1 63.4 -62.9 -22.2 -37.1 -17.0 7.6 113 113 A A T 3< S+ 0 0 66 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.645 80.7 105.3 -78.6 -11.6 -40.8 -18.0 7.6 114 114 A L S X S- 0 0 5 -3,-1.9 3,-1.7 -4,-0.3 -22,-0.1 -0.418 85.0 -98.8 -69.7 144.0 -41.0 -17.9 11.4 115 115 A P T 3 S+ 0 0 34 0, 0.0 -23,-0.2 0, 0.0 -1,-0.1 -0.314 109.3 18.5 -53.0 135.7 -42.8 -15.0 13.1 116 116 A G T 3 S+ 0 0 35 1,-0.2 2,-0.6 -3,-0.1 -27,-0.1 0.421 101.6 107.9 83.9 -2.5 -40.4 -12.3 14.2 117 117 A V < - 0 0 12 -3,-1.7 -1,-0.2 -5,-0.2 2,-0.1 -0.899 44.3-179.6-116.3 116.3 -37.6 -13.6 12.0 118 118 A G > - 0 0 39 -2,-0.6 4,-2.9 -3,-0.1 5,-0.2 -0.330 47.9 -80.1 -98.8-167.2 -36.4 -11.6 9.0 119 119 A R H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.909 128.5 45.2 -60.1 -44.7 -33.8 -12.3 6.3 120 120 A S H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.943 113.8 48.1 -67.5 -47.2 -30.9 -11.0 8.5 121 121 A T H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.906 111.5 51.5 -61.4 -39.7 -32.0 -12.9 11.6 122 122 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.934 112.4 44.8 -61.3 -46.9 -32.4 -16.1 9.6 123 123 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.4 0.864 113.4 52.6 -67.7 -31.2 -28.9 -15.8 8.1 124 124 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 5,-0.4 0.941 109.0 49.0 -66.0 -45.5 -27.6 -14.9 11.6 125 125 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 5,-0.3 0.955 118.9 37.0 -59.2 -48.6 -29.2 -18.0 13.1 126 126 A L H X S+ 0 0 0 -4,-2.2 6,-2.2 2,-0.2 4,-1.6 0.827 118.3 47.8 -79.9 -33.7 -27.9 -20.4 10.5 127 127 A S H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.938 117.9 40.4 -69.0 -46.2 -24.5 -18.9 10.0 128 128 A L H < S+ 0 0 6 -4,-2.3 -2,-0.2 -5,-0.4 -3,-0.2 0.883 124.4 36.1 -74.5 -32.8 -23.6 -18.5 13.7 129 129 A S H < S+ 0 0 18 -4,-1.9 -1,-0.2 -5,-0.4 -3,-0.2 0.777 136.1 15.6 -94.4 -25.7 -25.0 -21.9 14.8 130 130 A L H < S- 0 0 73 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.425 95.9-114.5-127.2 -1.5 -24.2 -24.1 11.9 131 131 A G < + 0 0 23 -4,-1.5 -4,-0.3 -5,-0.3 46,-0.2 0.740 54.6 165.8 74.6 21.3 -21.6 -22.2 9.8 132 132 A K - 0 0 74 -6,-2.2 2,-2.1 1,-0.1 -1,-0.2 -0.443 46.7-110.5 -75.5 149.5 -24.0 -21.9 6.9 133 133 A H + 0 0 126 -2,-0.1 -1,-0.1 -7,-0.0 42,-0.1 -0.216 67.3 132.6 -84.5 55.4 -22.8 -19.3 4.3 134 134 A F - 0 0 59 -2,-2.1 2,-0.1 -11,-0.3 47,-0.1 -0.834 47.6-134.3-107.2 139.9 -25.3 -16.5 4.8 135 135 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.471 19.0-147.2 -82.7 164.6 -24.6 -12.8 5.1 136 136 A I - 0 0 3 -2,-0.1 -16,-0.1 -13,-0.1 -15,-0.1 -0.806 15.3-170.9-129.7 167.3 -26.2 -10.6 7.7 137 137 A L + 0 0 7 -2,-0.3 -17,-0.2 4,-0.0 -16,-0.1 -0.346 24.9 148.3-161.0 67.8 -27.2 -7.0 7.9 138 138 A D > - 0 0 40 -18,-0.1 4,-2.7 -17,-0.0 5,-0.2 -0.281 68.5 -82.0 -90.0-172.8 -28.3 -5.8 11.3 139 139 A G H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.855 130.2 52.7 -62.8 -34.4 -27.8 -2.2 12.5 140 140 A N H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.945 112.6 43.3 -64.6 -50.0 -24.2 -2.9 13.5 141 141 A V H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.905 110.7 55.7 -61.8 -43.6 -23.3 -4.3 10.1 142 142 A K H X S+ 0 0 53 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.897 108.7 48.7 -57.6 -42.9 -25.1 -1.6 8.3 143 143 A R H X S+ 0 0 38 -4,-1.9 4,-2.1 2,-0.2 5,-0.3 0.937 112.8 46.3 -69.7 -43.9 -23.1 1.1 10.1 144 144 A V H X S+ 0 0 6 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.949 118.1 41.6 -60.4 -50.1 -19.7 -0.7 9.4 145 145 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 6,-0.2 0.901 113.4 52.2 -67.8 -36.7 -20.5 -1.3 5.7 146 146 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.4 4,-0.4 0.895 114.6 43.2 -68.8 -35.2 -22.0 2.1 5.1 147 147 A R H ><5S+ 0 0 5 -4,-2.1 63,-2.0 -5,-0.2 3,-0.9 0.931 115.6 46.7 -72.0 -49.0 -19.0 3.9 6.6 148 148 A C H 3<5S+ 0 0 4 -4,-2.7 61,-2.3 -5,-0.3 -2,-0.2 0.905 124.3 32.7 -57.6 -40.2 -16.4 1.7 4.9 149 149 A Y T 3<5S- 0 0 65 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.240 107.2-118.7-102.9 9.7 -18.1 2.0 1.5 150 150 A A T < 5 + 0 0 26 -3,-0.9 2,-1.1 -4,-0.4 -3,-0.2 0.914 40.8 178.1 54.4 49.5 -19.5 5.6 1.8 151 151 A V < + 0 0 16 -5,-2.3 70,-0.5 -6,-0.2 -1,-0.2 -0.776 1.2 179.4 -87.8 99.7 -23.2 4.5 1.5 152 152 A S + 0 0 82 -2,-1.1 70,-0.2 68,-0.2 -1,-0.2 0.624 44.4 94.2 -72.9 -25.3 -24.8 8.0 1.9 153 153 A G S S- 0 0 26 68,-0.1 68,-2.4 1,-0.1 70,-0.1 -0.194 85.2 -97.3 -78.3 166.3 -28.4 7.0 1.5 154 154 A W > - 0 0 92 66,-0.2 3,-2.9 1,-0.1 6,-0.3 -0.734 25.1-140.2 -82.7 122.2 -31.0 6.1 4.2 155 155 A P T 3 S+ 0 0 15 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.609 97.4 77.6 -62.5 -7.1 -31.2 2.3 4.6 156 156 A G T 3 S+ 0 0 46 4,-0.1 2,-0.4 5,-0.1 3,-0.0 0.544 79.2 85.9 -72.2 -9.8 -34.9 2.8 5.0 157 157 A K S X> S- 0 0 106 -3,-2.9 4,-2.3 1,-0.1 3,-0.7 -0.826 85.0-132.5 -93.3 136.4 -34.9 3.2 1.2 158 158 A K H 3> S+ 0 0 103 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.854 104.1 50.4 -57.7 -40.9 -35.1 -0.1 -0.7 159 159 A E H 3> S+ 0 0 142 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.856 111.4 48.7 -67.3 -30.9 -32.3 0.6 -3.1 160 160 A V H <> S+ 0 0 10 -3,-0.7 4,-2.6 -6,-0.3 -2,-0.2 0.899 111.8 48.7 -74.5 -41.9 -30.0 1.6 -0.3 161 161 A E H X S+ 0 0 46 -4,-2.3 4,-2.6 -7,-0.3 5,-0.2 0.932 111.1 51.7 -59.5 -40.3 -30.9 -1.6 1.7 162 162 A N H X S+ 0 0 74 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.925 108.2 51.0 -65.2 -39.5 -30.3 -3.5 -1.5 163 163 A K H X S+ 0 0 123 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.918 110.6 48.9 -63.6 -42.0 -26.9 -1.9 -1.9 164 164 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.897 109.9 50.9 -63.4 -41.6 -25.9 -2.8 1.7 165 165 A W H X S+ 0 0 26 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.896 109.8 51.7 -62.9 -37.6 -27.0 -6.4 1.2 166 166 A S H X S+ 0 0 51 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.935 111.1 46.6 -65.9 -43.8 -24.9 -6.6 -1.9 167 167 A L H X S+ 0 0 17 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.927 112.4 50.6 -61.0 -44.8 -21.9 -5.3 -0.1 168 168 A S H X S+ 0 0 3 -4,-2.9 4,-2.0 1,-0.2 3,-0.2 0.959 110.7 48.6 -60.2 -46.3 -22.5 -7.7 2.8 169 169 A E H < S+ 0 0 136 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.920 109.6 54.5 -56.3 -41.3 -22.7 -10.6 0.4 170 170 A Q H < S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.855 115.4 35.6 -63.3 -38.3 -19.5 -9.5 -1.3 171 171 A V H < S+ 0 0 4 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.662 93.0 100.4 -93.3 -13.4 -17.4 -9.4 1.9 172 172 A T < - 0 0 20 -4,-2.0 5,-0.1 -5,-0.2 2,-0.1 -0.616 60.7-153.9 -79.4 121.4 -19.0 -12.4 3.7 173 173 A P - 0 0 26 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.296 17.6-142.8 -81.4 172.2 -16.8 -15.5 3.3 174 174 A A S > S+ 0 0 44 1,-0.1 3,-2.0 2,-0.1 2,-0.3 0.776 90.5 69.9 -90.9 -53.6 -18.0 -19.2 3.5 175 175 A V T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 5,-0.0 -0.507 120.6 3.6 -65.6 125.1 -14.9 -20.3 5.3 176 176 A G T >> S+ 0 0 7 -2,-0.3 4,-2.7 -45,-0.1 3,-0.5 0.648 84.3 145.9 73.3 18.8 -15.1 -18.9 8.8 177 177 A V H <> + 0 0 0 -3,-2.0 4,-2.8 1,-0.2 5,-0.3 0.826 68.6 56.1 -57.2 -35.1 -18.5 -17.3 8.2 178 178 A E H 3> S+ 0 0 51 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.913 113.0 41.1 -67.4 -37.8 -19.5 -17.9 11.9 179 179 A R H <> S+ 0 0 95 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.903 115.1 51.2 -71.8 -42.9 -16.5 -15.9 13.1 180 180 A F H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.912 110.9 47.2 -60.4 -45.8 -16.9 -13.2 10.4 181 181 A N H X S+ 0 0 1 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.883 114.1 46.5 -70.6 -34.4 -20.5 -12.6 11.1 182 182 A Q H X S+ 0 0 14 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.2 0.924 112.2 52.5 -66.5 -41.8 -20.0 -12.4 14.9 183 183 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.881 105.8 53.0 -61.1 -40.6 -17.0 -10.2 14.4 184 184 A M H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.920 111.7 46.2 -62.1 -43.3 -19.0 -7.7 12.2 185 185 A M H X S+ 0 0 11 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.916 113.0 49.7 -65.9 -40.4 -21.6 -7.4 14.9 186 186 A D H X S+ 0 0 32 -4,-2.7 4,-2.7 2,-0.2 5,-0.5 0.921 111.4 49.5 -63.4 -40.5 -19.0 -6.9 17.5 187 187 A L H X>S+ 0 0 0 -4,-3.0 5,-3.3 1,-0.2 4,-2.2 0.934 112.7 46.1 -59.5 -49.0 -17.2 -4.3 15.4 188 188 A G H <5S+ 0 0 0 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.818 118.5 43.6 -62.9 -31.0 -20.5 -2.4 14.9 189 189 A A H <5S+ 0 0 51 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.869 129.9 18.0 -86.0 -36.8 -21.4 -2.6 18.5 190 190 A M H <5S+ 0 0 110 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.669 135.1 19.9-109.5 -25.3 -18.1 -1.8 20.2 191 191 A I T <5S+ 0 0 16 -4,-2.2 7,-2.4 -5,-0.5 2,-2.3 0.768 118.9 49.4-117.1 -61.1 -15.8 -0.1 17.7 192 192 A C S + 0 0 105 -7,-2.4 3,-2.4 1,-0.2 4,-0.2 -0.495 44.4 166.0 -87.6 65.9 -12.9 4.1 17.5 199 199 A C G > + 0 0 40 -2,-1.4 3,-2.0 1,-0.3 6,-0.3 0.836 68.2 62.8 -62.6 -31.3 -11.3 3.9 14.0 200 200 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.700 107.0 47.0 -64.1 -18.6 -7.7 3.5 15.4 201 201 A L G < S+ 0 0 103 -3,-2.4 -1,-0.3 -10,-0.1 -2,-0.2 0.280 94.2 103.8-100.4 7.6 -8.9 0.2 16.9 202 202 A C X - 0 0 15 -3,-2.0 3,-1.5 -4,-0.2 4,-0.2 -0.785 64.4-147.9-101.1 131.7 -10.7 -0.9 13.8 203 203 A P T 3 S+ 0 0 23 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.607 100.1 54.3 -72.0 -8.0 -9.3 -3.6 11.4 204 204 A L T >> S+ 0 0 2 1,-0.2 3,-2.3 2,-0.1 4,-1.8 0.345 74.0 105.4 -97.3 2.4 -10.8 -1.8 8.4 205 205 A Q T <4 S+ 0 0 91 -3,-1.5 -1,-0.2 1,-0.3 -5,-0.1 0.737 72.5 60.6 -64.5 -24.7 -9.3 1.6 9.1 206 206 A N T 34 S+ 0 0 105 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.604 120.0 23.7 -80.1 -12.5 -6.8 1.2 6.3 207 207 A G T <4 S+ 0 0 29 -3,-2.3 2,-0.3 -206,-0.0 -2,-0.2 0.454 89.9 117.0-126.6 -5.6 -9.5 0.9 3.6 208 208 A C X - 0 0 15 -4,-1.8 4,-1.9 1,-0.1 -60,-0.2 -0.465 51.0-153.7 -72.6 125.1 -12.5 2.6 5.1 209 209 A I H > S+ 0 0 70 -61,-2.3 4,-2.0 -62,-0.3 -61,-0.2 0.942 95.6 52.8 -67.0 -44.5 -13.7 5.7 3.2 210 210 A A H >>S+ 0 0 2 -63,-2.0 5,-2.2 1,-0.2 4,-0.8 0.926 110.2 48.1 -56.1 -44.8 -15.3 7.3 6.3 211 211 A A H >45S+ 0 0 31 1,-0.2 3,-0.7 3,-0.2 -1,-0.2 0.912 109.1 53.6 -62.3 -38.9 -12.1 6.9 8.2 212 212 A A H 3<5S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.884 121.3 30.4 -61.9 -38.0 -10.0 8.4 5.4 213 213 A N H 3<5S- 0 0 107 -4,-2.0 -1,-0.2 -3,-0.1 -2,-0.2 0.281 102.6-123.1-106.1 8.7 -12.2 11.5 5.2 214 214 A N T <<5S+ 0 0 127 -4,-0.8 -3,-0.2 -3,-0.7 3,-0.2 0.909 74.2 130.4 45.1 49.7 -13.2 11.7 9.0 215 215 A S > < + 0 0 16 -5,-2.2 3,-2.4 -6,-0.2 4,-0.3 -0.019 7.7 127.3-121.9 28.4 -16.7 11.5 7.6 216 216 A W G > + 0 0 59 -6,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.805 66.1 71.2 -56.5 -26.2 -18.4 8.8 9.6 217 217 A A G 3 S+ 0 0 67 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.740 91.9 58.0 -67.2 -16.2 -21.2 11.2 10.5 218 218 A L G < S+ 0 0 105 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.658 89.1 108.2 -84.9 -12.3 -22.4 10.9 6.9 219 219 A Y S < S+ 0 0 22 -3,-1.5 2,-0.2 -4,-0.3 -67,-0.1 -0.972 72.5 20.6-132.4 133.8 -23.0 7.2 6.9 220 220 A P S S- 0 0 18 0, 0.0 -66,-0.2 0, 0.0 -68,-0.2 0.702 97.8-114.5 -69.1 166.9 -25.4 5.6 7.0 221 221 A G - 0 0 11 -68,-2.4 2,-0.2 -70,-0.5 -68,-0.1 -0.284 30.5-129.5 -59.1 144.6 -27.8 8.3 5.7 222 222 A K - 0 0 132 -70,-0.2 -68,-0.1 -68,-0.1 -1,-0.1 -0.588 41.0 -69.5 -96.9 169.0 -30.4 9.3 8.2 223 223 A K - 0 0 115 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.384 57.5-121.9 -57.0 117.1 -34.1 9.5 7.6 224 224 A P 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.542 360.0 360.0 -74.1 131.0 -34.8 12.4 5.2 225 225 A K 0 0 231 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.221 360.0 360.0 149.6 360.0 -37.1 15.2 6.3