==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 12-JUL-12 4B24 . COMPND 2 MOLECULE: PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR B.DALHUS,L.NILSEN,H.KORVALD,J.HUFFMAN,R.J.FORSTROM,C.T.MCMUR . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 67.0 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 . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 46.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 0 1 1 2 1 1 3 2 0 0 1 1 0 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 3 A K > 0 0 118 0, 0.0 4,-1.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -75.3 0.7 32.9 23.3 2 4 A D H > + 0 0 133 1,-0.3 4,-0.8 2,-0.2 27,-0.1 0.615 360.0 55.8 -70.8 -7.5 2.0 33.5 26.8 3 5 A S H > S+ 0 0 59 2,-0.2 4,-2.1 3,-0.1 -1,-0.3 0.750 100.3 54.9 -88.7 -33.4 -1.5 34.9 27.0 4 6 A D H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.866 106.7 53.1 -66.0 -36.5 -2.9 31.6 25.8 5 7 A Y H X S+ 0 0 15 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.874 105.0 52.9 -67.3 -38.0 -1.1 30.1 28.7 6 8 A K H X S+ 0 0 121 -4,-0.8 4,-2.5 2,-0.2 5,-0.2 0.972 114.6 41.9 -60.3 -53.1 -2.7 32.5 31.2 7 9 A R H X S+ 0 0 154 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.884 114.8 52.3 -59.2 -41.3 -6.1 31.5 29.9 8 10 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.939 110.8 46.6 -61.2 -49.1 -5.1 27.9 29.8 9 11 A E H X S+ 0 0 40 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.894 111.4 50.9 -61.8 -43.6 -3.9 27.9 33.4 10 12 A K H < S+ 0 0 130 -4,-2.5 3,-0.4 -5,-0.2 4,-0.3 0.905 110.2 51.2 -62.7 -40.0 -7.0 29.7 34.6 11 13 A H H >< S+ 0 0 56 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.936 108.2 49.4 -63.2 -45.7 -9.2 27.2 32.9 12 14 A L H 3< S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.675 109.0 55.6 -67.0 -15.6 -7.4 24.1 34.4 13 15 A S T 3< S+ 0 0 51 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.472 103.3 56.1 -92.7 -4.0 -7.9 25.9 37.7 14 16 A S S < S+ 0 0 97 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.2 0.299 95.0 73.3-108.2 5.6 -11.6 26.1 37.1 15 17 A I S S- 0 0 47 -3,-0.4 2,-0.1 1,-0.4 -3,-0.1 0.372 106.5 -34.6 -89.0-131.6 -12.2 22.3 36.6 16 18 A D >> - 0 0 57 1,-0.1 4,-1.4 -4,-0.1 3,-0.5 -0.412 68.5 -98.1 -87.5 170.6 -12.1 20.0 39.6 17 19 A N H 3> S+ 0 0 127 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.855 115.2 60.1 -56.5 -47.0 -9.7 20.5 42.5 18 20 A K H 3> S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 106.6 49.2 -54.3 -38.2 -6.9 18.1 41.6 19 21 A W H <> S+ 0 0 2 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.931 111.0 49.8 -65.6 -44.6 -6.3 20.1 38.4 20 22 A S H X S+ 0 0 39 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.890 111.9 48.8 -58.7 -42.0 -6.3 23.4 40.4 21 23 A S H X S+ 0 0 40 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.856 108.9 52.1 -67.7 -37.8 -3.8 21.9 42.9 22 24 A L H X S+ 0 0 10 -4,-2.0 4,-2.7 -5,-0.2 5,-0.4 0.916 107.6 52.0 -66.0 -43.7 -1.4 20.6 40.1 23 25 A V H X S+ 0 0 14 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.937 110.1 48.9 -58.0 -48.2 -1.2 24.0 38.4 24 26 A K H < S+ 0 0 182 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.895 114.7 43.8 -59.5 -45.2 -0.3 25.7 41.7 25 27 A K H < S+ 0 0 144 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.932 119.5 40.6 -67.4 -48.8 2.4 23.2 42.6 26 28 A V H < S- 0 0 34 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.850 99.8-158.6 -69.4 -35.8 4.0 23.0 39.1 27 29 A G < + 0 0 19 -4,-2.7 -1,-0.2 -5,-0.4 -2,-0.1 -0.389 43.8 5.0 87.8-168.8 3.7 26.7 38.5 28 30 A P S S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 -22,-0.0 -0.133 79.1-107.4 -52.2 138.5 3.6 28.5 35.1 29 31 A C - 0 0 12 1,-0.1 -24,-0.1 -24,-0.1 -20,-0.0 -0.540 32.7-176.7 -70.2 127.1 3.7 26.5 31.9 30 32 A T + 0 0 98 -2,-0.3 -1,-0.1 -3,-0.1 2,-0.0 0.209 26.2 146.2-111.6 14.2 7.1 26.8 30.3 31 33 A L - 0 0 14 1,-0.1 -2,-0.0 164,-0.0 164,-0.0 -0.297 28.7-167.3 -53.8 125.4 6.3 24.7 27.2 32 34 A T - 0 0 94 2,-0.0 -1,-0.1 -2,-0.0 -2,-0.0 -0.797 4.4-172.5-124.2 90.8 8.3 26.2 24.3 33 35 A P - 0 0 15 0, 0.0 116,-0.3 0, 0.0 115,-0.1 -0.214 18.9-137.2 -74.5 170.8 7.2 25.0 20.8 34 36 A H > + 0 0 72 114,-2.2 3,-1.6 1,-0.1 116,-0.1 -0.563 31.7 161.8-131.8 71.9 9.1 25.8 17.6 35 37 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 115,-0.1 0.683 71.6 73.5 -63.4 -16.4 6.7 26.7 14.8 36 38 A E T 3 S+ 0 0 120 -3,-0.1 114,-0.1 113,-0.1 113,-0.1 0.818 76.6 97.6 -67.3 -27.8 9.6 28.4 12.9 37 39 A H S < S- 0 0 31 -3,-1.6 -3,-0.0 112,-0.1 0, 0.0 -0.350 83.8-115.6 -62.0 136.4 10.9 24.9 12.2 38 40 A A >> - 0 0 35 1,-0.1 4,-2.1 -2,-0.0 3,-1.2 -0.394 28.9-104.5 -72.3 152.7 9.9 23.6 8.7 39 41 A P H 3> S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.878 119.4 52.4 -41.8 -55.6 7.7 20.6 8.5 40 42 A Y H 3> S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.817 112.1 48.5 -56.6 -30.7 10.4 18.1 7.5 41 43 A E H <> S+ 0 0 15 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.920 111.4 45.8 -76.0 -47.4 12.5 19.2 10.5 42 44 A G H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.887 114.4 51.2 -62.8 -35.8 9.7 19.0 13.1 43 45 A I H X S+ 0 0 3 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.916 109.7 47.8 -67.8 -43.7 8.8 15.6 11.7 44 46 A I H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.2 -1,-0.2 0.891 111.6 51.6 -64.1 -39.5 12.3 14.2 11.8 45 47 A R H X S+ 0 0 69 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.915 111.6 46.8 -63.5 -41.9 12.7 15.5 15.4 46 48 A A H X S+ 0 0 7 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.938 112.5 49.8 -65.8 -45.5 9.5 13.8 16.4 47 49 A I H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.952 108.4 53.3 -56.5 -50.8 10.6 10.6 14.6 48 50 A T H 3< S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.864 104.1 56.9 -52.5 -40.0 13.9 10.6 16.4 49 51 A S H >< S+ 0 0 20 -4,-1.7 3,-2.6 -5,-0.2 -1,-0.3 0.568 74.9 127.8 -72.1 -9.4 12.2 10.9 19.8 50 52 A Q T << S- 0 0 38 -3,-1.9 3,-0.1 -4,-0.5 -3,-0.0 -0.302 90.2 -7.9 -54.5 116.9 10.2 7.7 19.3 51 53 A K T 3 S+ 0 0 196 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.542 118.1 106.5 72.4 9.1 10.8 5.5 22.3 52 54 A L S < S- 0 0 60 -3,-2.6 -1,-0.2 1,-0.0 0, 0.0 -0.942 70.5-115.2-127.1 143.9 13.5 7.9 23.6 53 55 A S > - 0 0 77 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.176 36.5-106.7 -64.4 162.1 13.7 10.4 26.4 54 56 A D H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.877 120.7 53.0 -58.5 -38.8 14.2 14.1 25.6 55 57 A A H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 111.7 42.7 -63.4 -50.2 17.8 13.9 26.8 56 58 A A H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.944 114.6 51.4 -60.7 -49.6 18.7 10.9 24.6 57 59 A T H X S+ 0 0 14 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.907 110.0 50.9 -54.3 -44.7 16.8 12.4 21.6 58 60 A N H X S+ 0 0 85 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.823 106.0 52.0 -66.9 -32.6 18.7 15.7 22.1 59 61 A S H X S+ 0 0 54 -4,-1.7 4,-1.8 -3,-0.3 -1,-0.2 0.873 111.4 49.9 -71.4 -33.4 22.2 14.2 22.2 60 62 A I H X S+ 0 0 13 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.908 112.5 45.0 -68.7 -44.9 21.4 12.4 18.9 61 63 A I H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.880 108.7 58.4 -67.3 -37.0 20.1 15.6 17.3 62 64 A N H X S+ 0 0 90 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.930 110.2 42.9 -56.8 -46.4 23.1 17.5 18.6 63 65 A K H X S+ 0 0 108 -4,-1.8 4,-2.7 28,-0.2 5,-0.3 0.956 111.2 54.7 -63.5 -50.6 25.4 15.1 16.8 64 66 A F H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.873 112.6 44.0 -49.6 -43.2 23.3 15.1 13.6 65 67 A C H < S+ 0 0 15 -4,-2.7 8,-0.3 1,-0.2 -1,-0.2 0.837 113.4 50.3 -73.0 -35.0 23.6 18.9 13.6 66 68 A T H < S+ 0 0 105 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.837 121.2 32.3 -72.6 -35.6 27.3 19.0 14.3 67 69 A Q H < S+ 0 0 112 -4,-2.7 2,-0.9 1,-0.2 -2,-0.2 0.945 118.8 46.6 -86.3 -59.1 28.2 16.4 11.6 68 70 A C S < S+ 0 0 10 -4,-1.7 2,-0.3 -5,-0.3 8,-0.3 -0.091 115.3 42.7 -80.7 38.5 25.7 17.0 8.8 69 71 A S - 0 0 18 -2,-0.9 3,-0.1 -3,-0.3 5,-0.1 -0.982 63.8-138.3-168.6 169.3 26.1 20.8 8.8 70 72 A D S S+ 0 0 153 -2,-0.3 2,-1.3 1,-0.1 -1,-0.1 0.841 100.9 38.1-101.6 -65.6 28.6 23.7 9.0 71 73 A N S S- 0 0 93 1,-0.1 -1,-0.1 3,-0.1 3,-0.1 -0.228 115.9-102.5 -83.6 48.0 27.1 26.3 11.3 72 74 A D S S+ 0 0 121 -2,-1.3 2,-0.2 -6,-0.2 -6,-0.2 0.792 78.2 148.1 32.9 41.7 25.7 23.6 13.6 73 75 A E - 0 0 105 -8,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.538 62.8 -80.5 -95.6 163.9 22.3 24.4 11.9 74 76 A F - 0 0 9 -2,-0.2 -1,-0.1 1,-0.1 -9,-0.1 -0.549 61.3-102.6 -68.8 123.5 19.6 21.8 11.3 75 77 A P - 0 0 0 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.042 35.6-123.1 -45.7 141.8 20.7 19.8 8.2 76 78 A T > - 0 0 58 -8,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.405 26.8-102.5 -83.8 165.8 18.8 20.7 5.0 77 79 A P H > S+ 0 0 24 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.924 123.8 48.3 -54.0 -46.4 16.9 18.2 3.0 78 80 A K H > S+ 0 0 131 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 109.6 51.2 -61.9 -43.7 19.8 18.0 0.4 79 81 A Q H 4 S+ 0 0 53 1,-0.2 -1,-0.2 2,-0.2 -10,-0.0 0.847 110.5 52.1 -62.3 -32.7 22.4 17.6 3.1 80 82 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.891 108.5 47.5 -72.0 -40.1 20.3 14.8 4.5 81 83 A M H 3< S+ 0 0 50 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.830 105.2 61.4 -69.4 -29.8 20.0 12.9 1.2 82 84 A E T 3< S+ 0 0 131 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.3 0.434 94.4 79.7 -75.5 0.9 23.8 13.4 0.7 83 85 A T S < S- 0 0 19 -3,-1.2 2,-0.2 -5,-0.1 -15,-0.0 -0.885 79.7-130.8-109.2 139.8 24.3 11.3 3.9 84 86 A D > - 0 0 73 -2,-0.4 4,-2.6 1,-0.1 3,-0.4 -0.562 21.4-114.6 -90.0 158.2 24.1 7.5 3.9 85 87 A V H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.801 115.5 59.8 -57.3 -32.7 22.0 5.5 6.4 86 88 A E H > S+ 0 0 118 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.935 109.8 42.1 -62.1 -46.0 25.2 4.0 7.8 87 89 A T H > S+ 0 0 34 -3,-0.4 4,-0.8 2,-0.2 3,-0.4 0.918 113.4 51.7 -66.9 -45.0 26.5 7.5 8.7 88 90 A L H >X>S+ 0 0 0 -4,-2.6 5,-1.2 1,-0.2 3,-1.1 0.900 107.0 55.6 -58.4 -38.8 23.0 8.6 10.0 89 91 A H H ><5S+ 0 0 80 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.835 98.4 60.7 -63.8 -32.3 23.0 5.5 12.1 90 92 A E H 3<5S+ 0 0 152 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.729 95.4 63.6 -67.8 -20.2 26.3 6.5 13.7 91 93 A C H <<5S- 0 0 7 -3,-1.1 -1,-0.2 -4,-0.8 -28,-0.2 0.726 128.6 -94.1 -75.3 -20.6 24.6 9.6 15.0 92 94 A G T <<5S+ 0 0 37 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.2 0.352 83.1 133.9 122.4 -3.4 22.2 7.5 17.1 93 95 A F < - 0 0 2 -5,-1.2 -1,-0.4 -33,-0.1 -2,-0.1 -0.609 61.9-113.7 -75.6 138.4 19.3 7.2 14.7 94 96 A S > - 0 0 48 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.324 27.4-108.7 -67.4 158.7 18.1 3.6 14.6 95 97 A K H > S+ 0 0 155 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.893 121.9 48.0 -55.7 -41.8 18.6 1.9 11.2 96 98 A L H >> S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.967 113.1 46.7 -63.3 -53.0 14.9 2.0 10.6 97 99 A K H 3> S+ 0 0 20 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.882 106.3 59.5 -56.1 -41.1 14.6 5.7 11.6 98 100 A S H 3X S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.879 108.2 46.2 -55.6 -38.9 17.7 6.5 9.4 99 101 A Q H S+ 0 0 21 -4,-2.7 5,-3.3 1,-0.2 6,-0.7 0.875 108.0 50.9 -64.0 -37.8 9.9 14.0 0.2 108 110 A A H ><5S+ 0 0 26 -4,-2.1 3,-1.1 3,-0.2 -1,-0.2 0.895 109.8 52.0 -66.9 -38.1 10.6 17.6 1.3 109 111 A L H 3<5S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.892 112.5 43.6 -63.2 -42.4 12.9 18.0 -1.7 110 112 A N T 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.179 113.4-115.5 -91.1 17.9 10.2 16.8 -4.1 111 113 A K T < 5S+ 0 0 182 -3,-1.1 -3,-0.2 1,-0.1 4,-0.1 0.845 74.9 134.5 51.7 39.3 7.5 18.8 -2.4 112 114 A Q < + 0 0 147 -5,-3.3 -4,-0.2 -6,-0.1 -1,-0.1 0.456 51.5 79.6 -93.1 -5.3 5.7 15.6 -1.4 113 115 A I S S- 0 0 22 -6,-0.7 3,-0.1 -5,-0.1 -73,-0.1 -0.822 96.5 -99.5-103.0 142.3 5.1 17.0 2.1 114 116 A P - 0 0 33 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.369 44.8-112.4 -60.5 137.1 2.3 19.4 2.8 115 117 A S > - 0 0 66 -4,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.225 25.5-109.8 -65.3 162.3 3.7 23.0 3.0 116 118 A K H > S+ 0 0 59 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.958 118.5 51.5 -60.2 -52.3 3.6 24.7 6.4 117 119 A S H > S+ 0 0 60 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.889 112.6 47.7 -54.0 -39.0 0.9 27.2 5.4 118 120 A E H >> S+ 0 0 88 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.885 110.3 50.8 -70.3 -36.5 -1.2 24.3 4.3 119 121 A I H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.896 103.1 61.0 -65.6 -36.9 -0.5 22.3 7.5 120 122 A E H 3< S+ 0 0 118 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.729 105.0 49.1 -61.6 -20.9 -1.5 25.4 9.4 121 123 A K H << S+ 0 0 136 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.3 0.546 91.0 97.7 -95.2 -10.6 -5.0 25.1 7.8 122 124 A M S << S- 0 0 31 -3,-1.3 2,-0.0 -4,-0.6 -3,-0.0 -0.614 71.3-131.4 -84.1 136.2 -5.5 21.4 8.5 123 125 A S > - 0 0 45 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.338 37.0-100.1 -72.5 168.5 -7.5 20.4 11.6 124 126 A E H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 125.4 54.1 -59.7 -38.3 -5.8 17.7 13.7 125 127 A E H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 110.9 44.5 -62.1 -44.2 -7.9 15.0 12.0 126 128 A E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.914 112.9 52.0 -66.4 -41.4 -6.9 16.2 8.5 127 129 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.4 0.899 109.5 50.4 -60.3 -42.7 -3.3 16.4 9.7 128 130 A M H X S+ 0 0 39 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.911 111.6 46.9 -61.2 -46.2 -3.5 12.8 11.1 129 131 A E H < S+ 0 0 137 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.861 117.2 45.1 -64.2 -38.0 -4.9 11.5 7.8 130 132 A S H >< S+ 0 0 21 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.967 117.4 36.7 -73.7 -57.4 -2.2 13.4 5.8 131 133 A L H >< S+ 0 0 1 -4,-2.6 3,-2.4 1,-0.2 -3,-0.2 0.761 101.1 74.9 -71.5 -22.8 1.0 12.7 7.6 132 134 A S T 3< S+ 0 0 39 -4,-1.5 -1,-0.2 -5,-0.4 5,-0.2 0.620 83.1 72.0 -64.0 -9.8 0.0 9.1 8.6 133 135 A K T < S+ 0 0 164 -3,-1.2 2,-0.4 -4,-0.1 -1,-0.3 0.677 80.5 91.3 -76.7 -17.9 0.8 8.4 4.9 134 136 A I S X S- 0 0 28 -3,-2.4 3,-2.0 3,-0.2 2,-0.2 -0.651 89.0-111.9 -82.6 129.9 4.5 8.8 5.8 135 137 A K T 3 S+ 0 0 124 -2,-0.4 -31,-0.1 1,-0.3 3,-0.1 -0.420 103.8 18.7 -62.9 123.4 6.4 5.7 6.8 136 138 A G T 3 S+ 0 0 18 -2,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.490 103.9 104.4 93.8 4.8 7.4 5.9 10.4 137 139 A V < + 0 0 2 -3,-2.0 2,-0.2 -5,-0.2 -3,-0.2 -0.950 39.8 136.9-125.7 112.8 4.8 8.6 11.2 138 140 A K > - 0 0 107 -2,-0.5 4,-2.8 -3,-0.1 5,-0.3 -0.650 65.8 -53.5-135.4-166.5 1.7 7.7 13.0 139 141 A R H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.844 129.2 43.9 -40.3 -58.4 -0.6 9.0 15.8 140 142 A W H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.952 116.1 47.3 -57.7 -51.7 2.0 9.4 18.6 141 143 A T H > S+ 0 0 6 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.861 112.4 50.0 -60.3 -36.9 4.5 11.0 16.3 142 144 A I H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.826 108.3 51.8 -74.6 -29.5 2.0 13.4 14.8 143 145 A E H X S+ 0 0 9 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.916 109.8 50.3 -70.1 -41.2 0.7 14.5 18.2 144 146 A M H X S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.866 111.5 48.1 -63.3 -37.5 4.3 15.3 19.3 145 147 A Y H X>S+ 0 0 4 -4,-1.6 5,-2.1 2,-0.2 4,-1.8 0.901 111.2 50.6 -68.4 -41.8 4.8 17.3 16.1 146 148 A S H <>S+ 0 0 0 -4,-2.1 6,-2.7 3,-0.2 5,-0.8 0.833 118.7 38.9 -63.2 -35.6 1.6 19.2 16.7 147 149 A I H <5S+ 0 0 1 -4,-2.0 4,-0.2 4,-0.2 -2,-0.2 0.959 125.1 30.8 -81.0 -58.5 2.6 20.0 20.2 148 150 A F H <5S+ 0 0 83 -4,-2.6 -114,-2.2 -5,-0.2 -3,-0.2 0.719 134.0 23.0 -80.3 -23.2 6.3 20.7 20.0 149 151 A T T <5S+ 0 0 7 -4,-1.8 -3,-0.2 -5,-0.4 -112,-0.1 0.812 129.2 35.7-103.2 -66.7 6.6 22.2 16.5 150 152 A L T + 0 0 0 0, 0.0 3,-2.2 0, 0.0 6,-0.2 -0.433 23.5 166.6 -80.9 69.2 -1.7 12.6 23.5 158 160 A A T 3 + 0 0 0 -2,-2.4 24,-0.2 1,-0.3 25,-0.1 0.696 69.0 61.3 -56.7 -21.2 -3.8 10.0 25.4 159 161 A D T 3 S+ 0 0 36 -3,-0.2 2,-0.4 23,-0.1 -1,-0.3 0.445 73.5 116.0 -88.5 -0.8 -1.7 7.2 23.9 160 162 A D <> - 0 0 17 -3,-2.2 4,-2.3 1,-0.1 5,-0.2 -0.574 60.9-145.4 -73.4 122.7 1.6 8.4 25.4 161 163 A S H > S+ 0 0 62 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.885 97.4 46.7 -54.6 -47.4 2.8 5.7 27.9 162 164 A T H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 110.9 51.9 -63.7 -42.8 4.3 8.2 30.4 163 165 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.906 107.7 53.1 -61.8 -40.2 1.2 10.4 30.3 164 166 A K H X S+ 0 0 32 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.853 108.5 50.0 -62.6 -36.0 -0.9 7.3 31.0 165 167 A N H X S+ 0 0 74 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.910 114.0 44.7 -68.0 -42.5 1.2 6.5 34.1 166 168 A E H X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.839 111.7 53.2 -70.4 -32.1 0.9 10.0 35.3 167 169 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 6,-0.2 0.876 101.5 62.1 -69.1 -36.5 -2.8 9.9 34.6 168 170 A K H <>S+ 0 0 72 -4,-1.9 5,-3.2 1,-0.2 -2,-0.2 0.901 114.0 31.2 -56.3 -46.6 -3.1 6.7 36.6 169 171 A E H ><5S+ 0 0 132 -4,-1.3 3,-0.7 3,-0.2 -1,-0.2 0.844 115.3 58.6 -84.0 -31.8 -2.0 8.4 39.9 170 172 A F H 3<5S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.920 118.2 32.6 -61.7 -42.9 -3.4 11.8 39.1 171 173 A F T 3<5S- 0 0 31 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.318 110.8-123.0 -93.7 6.6 -6.9 10.4 38.8 172 174 A G T < 5 + 0 0 65 -3,-0.7 -3,-0.2 -5,-0.1 2,-0.2 0.920 48.1 172.5 52.4 50.3 -6.2 7.7 41.4 173 175 A L < - 0 0 44 -5,-3.2 -1,-0.1 -6,-0.2 3,-0.1 -0.535 39.5-130.0 -89.0 157.6 -7.0 4.8 39.1 174 176 A S S S+ 0 0 121 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.782 87.8 16.1 -77.6 -27.9 -6.4 1.1 40.0 175 177 A S S S- 0 0 77 -7,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.945 101.0 -72.5-141.6 162.5 -4.6 0.2 36.8 176 178 A K - 0 0 87 -2,-0.3 -11,-0.1 1,-0.1 2,-0.1 -0.349 62.9-119.4 -54.2 126.4 -2.8 2.0 33.9 177 179 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.372 18.5-116.2 -73.9 149.5 -5.7 3.5 31.9 178 180 A Q > - 0 0 145 1,-0.1 4,-1.7 -2,-0.1 5,-0.2 -0.311 35.2-101.1 -74.9 167.3 -6.4 2.7 28.3 179 181 A T H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.911 121.4 50.1 -57.3 -47.5 -6.1 5.4 25.6 180 182 A E H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.848 106.7 56.2 -63.5 -32.8 -9.8 6.1 25.4 181 183 A E H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 107.1 47.9 -65.3 -43.0 -10.1 6.4 29.2 182 184 A V H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.869 107.9 60.4 -63.9 -34.5 -7.5 9.1 29.3 183 185 A E H < S+ 0 0 49 -4,-1.8 4,-0.2 -5,-0.2 -2,-0.2 0.955 111.5 34.7 -59.0 -52.9 -9.5 10.7 26.4 184 186 A K H >< S+ 0 0 101 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.836 113.2 58.6 -76.0 -29.8 -12.7 11.1 28.4 185 187 A L H 3< S+ 0 0 46 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.812 112.1 42.2 -67.4 -27.5 -11.1 11.8 31.7 186 188 A T T >< S+ 0 0 0 -4,-1.6 3,-1.8 -3,-0.2 4,-0.3 0.387 83.4 103.3 -99.6 4.3 -9.3 14.8 30.2 187 189 A K G X S+ 0 0 109 -3,-0.8 3,-1.9 1,-0.3 -1,-0.2 0.878 74.0 60.5 -51.8 -43.8 -12.4 16.0 28.2 188 190 A P G 3 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.696 91.2 71.1 -60.8 -17.9 -13.0 18.8 30.7 189 191 A C G X S+ 0 0 0 -3,-1.8 3,-2.3 2,-0.1 -2,-0.2 0.665 81.7 152.3 -73.9 -17.2 -9.6 20.3 29.9 190 192 A K T < + 0 0 95 -3,-1.9 -36,-0.1 1,-0.3 -35,-0.0 -0.228 53.4 26.5 -52.9 146.8 -10.7 21.4 26.4 191 193 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.828 128.4 43.8 -99.6 33.3 -9.8 23.6 24.8 192 194 A Y X> + 0 0 38 -3,-2.3 4,-1.8 -38,-0.1 3,-0.5 -0.168 61.9 137.6-124.4 41.4 -6.3 23.5 26.4 193 195 A R H 3> + 0 0 33 1,-0.2 4,-2.5 2,-0.2 -39,-0.3 0.720 69.1 63.0 -60.8 -21.8 -5.6 19.8 26.5 194 196 A T H 3> S+ 0 0 2 -41,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.944 106.2 44.1 -66.1 -47.3 -2.0 20.4 25.4 195 197 A I H <> S+ 0 0 0 -42,-0.8 4,-2.3 -3,-0.5 -2,-0.2 0.867 111.4 55.0 -64.6 -37.1 -1.3 22.4 28.5 196 198 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.940 109.7 46.2 -61.4 -46.8 -3.2 19.7 30.6 197 199 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -42,-0.3 -2,-0.2 0.905 109.1 55.4 -62.0 -42.1 -0.9 17.1 29.2 198 200 A W H X S+ 0 0 21 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.934 108.7 48.2 -55.9 -47.3 2.2 19.3 29.9 199 201 A Y H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 4,-0.5 0.880 109.7 50.7 -61.9 -40.3 1.1 19.5 33.5 200 202 A L H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.869 107.9 56.4 -64.7 -34.6 0.6 15.8 33.8 201 203 A W H 3< S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.678 100.1 57.4 -69.7 -19.6 4.1 15.5 32.3 202 204 A Q T X< S+ 0 0 22 -3,-0.8 3,-0.8 -4,-0.8 -1,-0.2 0.557 79.7 94.3 -88.2 -7.2 5.6 17.6 35.1 203 205 A I G X S+ 0 0 24 -3,-1.0 3,-1.3 -4,-0.5 -1,-0.2 0.886 78.0 56.0 -53.0 -45.3 4.4 15.3 37.8 204 206 A P G 3 S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.893 95.4 69.6 -56.2 -35.3 7.6 13.3 38.0 205 207 A K G < 0 0 147 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.151 360.0 360.0 -69.1 22.4 9.5 16.6 38.7 206 208 A L < 0 0 129 -3,-1.3 -180,-0.0 -2,-0.3 -181,-0.0 -0.914 360.0 360.0-123.2 360.0 7.8 16.8 42.1