==== 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 12-JUL-12 4B22 . COMPND 2 MOLECULE: MAG2, 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 . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 65.4 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 45.9 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 2 0 2 1 1 4 1 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 4 A D > 0 0 142 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.0 2.0 33.7 26.9 2 5 A S H > + 0 0 77 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.866 360.0 55.7 -69.6 -35.5 -1.5 35.0 27.0 3 6 A D H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 107.4 48.9 -61.3 -45.0 -2.8 31.6 25.8 4 7 A Y H > S+ 0 0 37 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.886 108.2 52.8 -63.8 -40.5 -1.0 29.9 28.7 5 8 A K H X S+ 0 0 123 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.963 113.2 44.5 -59.6 -49.5 -2.5 32.3 31.3 6 9 A R H X S+ 0 0 123 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.878 114.4 49.8 -60.5 -39.9 -5.9 31.6 29.9 7 10 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.922 110.3 49.9 -65.6 -44.7 -5.2 27.8 29.8 8 11 A E H X S+ 0 0 28 -4,-3.3 4,-1.5 1,-0.2 -2,-0.2 0.900 110.7 49.8 -61.9 -41.2 -3.9 27.8 33.4 9 12 A K H < S+ 0 0 137 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.886 111.4 49.1 -66.6 -37.6 -7.0 29.6 34.6 10 13 A H H >< S+ 0 0 58 -4,-2.0 3,-2.2 1,-0.2 4,-0.4 0.950 109.8 49.9 -66.1 -47.2 -9.2 27.2 32.8 11 14 A L H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.792 108.4 55.0 -60.6 -27.5 -7.4 24.1 34.2 12 15 A S T 3< S+ 0 0 43 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.412 101.5 60.0 -85.3 1.4 -7.7 25.7 37.6 13 16 A S T < S+ 0 0 93 -3,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.423 92.0 76.0-106.5 -2.7 -11.5 25.9 37.1 14 17 A I S < S- 0 0 42 -3,-0.7 5,-0.1 -4,-0.4 -3,-0.0 0.152 104.3 -35.5 -84.6-151.1 -12.1 22.2 36.7 15 18 A D S > S- 0 0 61 1,-0.1 4,-1.2 3,-0.0 3,-0.5 -0.062 71.2 -94.2 -64.2 174.8 -12.1 19.8 39.7 16 19 A N H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.817 116.4 62.2 -61.2 -39.1 -9.8 20.4 42.6 17 20 A K H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.861 103.8 48.9 -62.1 -34.5 -6.9 18.1 41.5 18 21 A W H > S+ 0 0 2 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.920 111.0 50.7 -68.6 -42.6 -6.2 20.2 38.4 19 22 A S H X S+ 0 0 43 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.938 113.0 46.2 -57.7 -48.8 -6.2 23.4 40.5 20 23 A S H X S+ 0 0 42 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.903 112.1 49.8 -61.7 -45.0 -3.7 21.8 42.9 21 24 A L H X S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.916 110.4 49.6 -62.6 -44.6 -1.4 20.4 40.2 22 25 A V H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.903 111.8 49.7 -61.3 -41.4 -1.2 23.7 38.4 23 26 A K H < S+ 0 0 179 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.934 113.6 44.8 -64.0 -46.6 -0.4 25.6 41.6 24 27 A K H < S+ 0 0 147 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 119.5 40.5 -64.6 -44.4 2.3 23.1 42.6 25 28 A V H < S- 0 0 33 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.854 99.1-156.7 -74.2 -36.3 3.9 23.0 39.1 26 29 A G < + 0 0 20 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.1 -0.477 44.7 2.9 91.6-165.5 3.6 26.7 38.4 27 30 A P S S- 0 0 95 0, 0.0 2,-0.4 0, 0.0 -22,-0.1 -0.183 78.7-106.3 -57.0 142.8 3.5 28.5 35.0 28 31 A C - 0 0 10 1,-0.1 -24,-0.1 -24,-0.1 -20,-0.1 -0.589 32.6-175.7 -73.8 126.9 3.6 26.4 31.8 29 32 A T + 0 0 100 -2,-0.4 -1,-0.1 -3,-0.1 -3,-0.0 0.172 26.7 147.2-109.3 15.4 7.0 26.8 30.2 30 33 A L - 0 0 17 1,-0.1 -2,-0.0 164,-0.0 164,-0.0 -0.288 28.7-165.8 -54.6 130.1 6.2 24.7 27.1 31 34 A T - 0 0 96 2,-0.0 -1,-0.1 116,-0.0 -2,-0.0 -0.813 4.7-172.7-126.2 92.7 8.2 26.1 24.2 32 35 A P - 0 0 34 0, 0.0 116,-0.3 0, 0.0 115,-0.1 -0.299 17.8-140.2 -76.7 168.7 7.1 25.0 20.7 33 36 A H > + 0 0 74 114,-2.0 3,-1.9 1,-0.1 116,-0.1 -0.573 30.3 162.7-131.4 70.9 9.1 25.8 17.6 34 37 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 114,-0.1 0.635 70.4 75.3 -64.2 -11.6 6.7 26.6 14.7 35 38 A E T 3 S+ 0 0 116 -3,-0.1 2,-0.2 113,-0.1 114,-0.1 0.709 76.2 97.6 -72.3 -18.8 9.6 28.3 12.8 36 39 A H S < S- 0 0 31 -3,-1.9 -3,-0.0 112,-0.1 0, 0.0 -0.474 83.8-115.0 -70.5 138.6 10.9 24.8 12.0 37 40 A A >> - 0 0 34 -2,-0.2 4,-2.4 1,-0.1 3,-0.7 -0.347 30.1-105.7 -69.3 156.9 9.9 23.5 8.6 38 41 A P H 3> S+ 0 0 16 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.889 119.8 54.2 -51.2 -45.5 7.6 20.4 8.5 39 42 A Y H 3> S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.858 111.0 46.8 -61.4 -33.5 10.4 18.0 7.5 40 43 A E H <> S+ 0 0 19 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.934 113.6 46.1 -73.3 -47.0 12.5 19.2 10.5 41 44 A G H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.906 114.4 49.6 -61.2 -40.1 9.6 18.9 13.0 42 45 A I H X S+ 0 0 2 -4,-3.0 4,-2.4 -5,-0.3 -2,-0.2 0.934 111.6 47.3 -65.2 -45.6 8.7 15.5 11.6 43 46 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.897 111.2 51.6 -63.1 -40.5 12.3 14.2 11.8 44 47 A R H X S+ 0 0 81 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.912 111.3 48.2 -63.2 -39.8 12.6 15.6 15.4 45 48 A A H X S+ 0 0 7 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.892 111.0 50.1 -67.2 -40.0 9.4 13.8 16.3 46 49 A I H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.939 107.6 54.2 -63.7 -45.8 10.5 10.5 14.7 47 50 A T H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.880 102.7 58.0 -55.4 -40.3 13.9 10.6 16.5 48 51 A S H >< S+ 0 0 21 -4,-1.6 3,-2.5 -5,-0.2 -1,-0.3 0.613 75.2 123.7 -69.1 -12.2 12.1 11.0 19.9 49 52 A Q T << S- 0 0 42 -3,-1.6 3,-0.1 -4,-0.5 -3,-0.0 -0.296 91.5 -7.3 -55.0 123.7 10.2 7.7 19.4 50 53 A K T 3 S+ 0 0 194 1,-0.2 2,-0.4 -2,-0.0 -1,-0.3 0.526 118.1 107.7 67.1 7.0 10.9 5.4 22.4 51 54 A L < - 0 0 62 -3,-2.5 -1,-0.2 1,-0.0 0, 0.0 -0.912 69.6-117.6-123.4 147.5 13.6 7.9 23.6 52 55 A S > - 0 0 75 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.210 36.7-106.7 -68.8 164.5 13.9 10.3 26.5 53 56 A D H > S+ 0 0 127 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.909 120.9 50.3 -60.4 -40.9 14.2 14.0 25.8 54 57 A A H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 110.8 46.7 -64.4 -46.5 17.9 13.9 26.8 55 58 A A H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.942 113.7 49.7 -60.9 -46.1 18.7 10.9 24.6 56 59 A T H X S+ 0 0 14 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.916 109.6 52.0 -58.5 -44.9 16.9 12.5 21.7 57 60 A N H X S+ 0 0 88 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.881 105.7 53.2 -61.0 -40.7 18.8 15.8 22.2 58 61 A S H X S+ 0 0 50 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.849 111.7 47.4 -64.6 -32.8 22.2 14.1 22.1 59 62 A I H X S+ 0 0 14 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.942 112.9 46.0 -72.7 -49.6 21.3 12.5 18.8 60 63 A I H X S+ 0 0 5 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.880 110.3 56.7 -61.3 -36.9 20.0 15.6 17.2 61 64 A N H X S+ 0 0 88 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.935 109.6 43.3 -60.3 -47.8 23.1 17.5 18.5 62 65 A K H X S+ 0 0 110 -4,-1.7 4,-3.0 28,-0.2 5,-0.4 0.932 113.4 54.1 -61.8 -44.7 25.5 15.0 16.8 63 66 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.922 112.9 40.9 -54.7 -50.8 23.3 15.2 13.7 64 67 A C H < S+ 0 0 15 -4,-3.0 4,-0.3 1,-0.2 7,-0.3 0.858 116.6 50.5 -68.5 -35.8 23.4 19.0 13.5 65 68 A T H < S+ 0 0 89 -4,-2.4 -2,-0.2 -5,-0.3 6,-0.2 0.907 121.7 29.3 -69.5 -44.1 27.1 19.1 14.4 66 69 A Q H < S+ 0 0 132 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.882 123.6 43.2 -85.6 -43.0 28.3 16.5 11.8 67 70 A C S < S+ 0 0 14 -4,-2.2 2,-0.4 -5,-0.4 -1,-0.2 0.200 107.6 66.5 -92.5 17.3 25.8 16.9 8.9 68 71 A S > - 0 0 5 -4,-0.3 3,-0.5 -3,-0.2 5,-0.0 -0.998 60.0-155.6-141.3 136.0 25.7 20.7 8.9 69 72 A D T 3 S+ 0 0 159 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.541 103.3 37.4 -84.3 -8.2 28.4 23.3 8.1 70 73 A N T 3 S- 0 0 87 2,-0.2 -1,-0.2 -6,-0.2 3,-0.1 0.107 111.2-113.9-127.4 18.4 26.7 25.9 10.2 71 74 A D S < S+ 0 0 105 -3,-0.5 2,-0.1 -7,-0.3 -6,-0.1 0.636 78.9 125.6 56.6 16.2 25.6 23.7 13.0 72 75 A E S S- 0 0 123 1,-0.2 -1,-0.2 -8,-0.1 -2,-0.2 -0.444 78.2 -64.3 -94.0 173.4 22.0 24.4 12.0 73 76 A F - 0 0 22 -2,-0.1 -1,-0.2 1,-0.1 -9,-0.1 -0.379 65.6-102.5 -61.3 129.6 19.4 21.7 11.2 74 77 A P - 0 0 0 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.211 36.3-122.0 -53.1 139.8 20.6 19.8 8.1 75 78 A T > - 0 0 59 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.329 27.3-103.6 -77.5 165.8 18.7 20.8 4.9 76 79 A P H > S+ 0 0 25 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.913 123.8 52.3 -57.7 -39.8 16.8 18.1 2.9 77 80 A K H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.921 108.4 49.1 -61.8 -45.7 19.6 18.1 0.4 78 81 A Q H 4 S+ 0 0 37 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.907 110.3 50.9 -61.3 -42.3 22.3 17.6 3.0 79 82 A I H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.889 109.4 51.6 -63.2 -37.4 20.3 14.7 4.5 80 83 A M H 3< S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.872 103.5 57.2 -66.3 -37.2 20.0 13.2 1.1 81 84 A E T 3< S+ 0 0 138 -4,-2.0 2,-0.5 -5,-0.1 -1,-0.3 0.471 96.4 81.4 -73.3 -1.0 23.7 13.4 0.5 82 85 A T S < S- 0 0 21 -3,-1.2 2,-0.1 -4,-0.2 -15,-0.0 -0.918 79.1-134.0-109.2 128.3 24.2 11.3 3.7 83 86 A D >> - 0 0 76 -2,-0.5 4,-2.0 1,-0.1 3,-1.1 -0.464 24.9-111.4 -80.0 153.3 23.8 7.5 3.5 84 87 A V H 3> S+ 0 0 54 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.779 116.6 63.9 -51.3 -30.3 21.8 5.7 6.1 85 88 A E H 3> S+ 0 0 135 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.916 106.5 41.8 -61.8 -44.2 25.1 4.2 7.4 86 89 A T H <> S+ 0 0 34 -3,-1.1 4,-0.7 2,-0.2 3,-0.4 0.886 111.6 54.7 -71.4 -40.2 26.3 7.6 8.4 87 90 A L H >X>S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 5,-1.1 0.920 104.5 55.5 -59.3 -42.1 23.0 8.7 9.8 88 91 A H H ><5S+ 0 0 78 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.825 98.2 62.2 -60.2 -32.3 23.0 5.5 12.0 89 92 A E H 3<5S+ 0 0 138 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.765 94.8 63.0 -65.8 -23.7 26.3 6.6 13.5 90 93 A C H <<5S- 0 0 7 -3,-1.4 -1,-0.3 -4,-0.7 -28,-0.2 0.731 129.3 -91.8 -72.6 -23.0 24.6 9.7 14.8 91 94 A G T <<5S+ 0 0 39 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.2 0.363 84.0 133.6 125.1 -2.1 22.4 7.7 17.0 92 95 A F < - 0 0 2 -5,-1.1 -1,-0.5 -33,-0.1 -2,-0.1 -0.610 62.2-114.1 -76.7 139.8 19.4 7.2 14.7 93 96 A S > - 0 0 49 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.318 28.8-107.8 -67.0 161.4 18.3 3.6 14.7 94 97 A K H > S+ 0 0 159 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.919 122.3 48.8 -58.2 -43.0 18.7 1.9 11.3 95 98 A L H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.946 112.7 46.9 -61.8 -48.3 15.0 1.9 10.8 96 99 A K H > S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.867 107.0 58.2 -62.3 -35.9 14.8 5.6 11.7 97 100 A S H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.920 108.4 46.2 -59.6 -43.1 17.8 6.4 9.4 98 101 A Q H X S+ 0 0 94 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.930 114.0 47.9 -64.9 -45.7 15.9 5.0 6.5 99 102 A E H X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.890 110.1 51.2 -63.8 -40.4 12.7 6.8 7.4 100 103 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.865 107.7 53.4 -66.0 -35.8 14.5 10.2 7.9 101 104 A H H X S+ 0 0 26 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.923 110.0 48.1 -64.9 -41.5 16.1 9.8 4.5 102 105 A I H X S+ 0 0 52 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.892 109.4 52.1 -65.7 -40.5 12.7 9.2 2.9 103 106 A V H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.899 109.6 50.7 -62.5 -39.1 11.3 12.3 4.7 104 107 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.920 110.5 48.4 -63.9 -43.9 14.2 14.3 3.3 105 108 A E H X S+ 0 0 80 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.931 111.1 51.3 -59.9 -48.0 13.5 13.1 -0.2 106 109 A A H <>S+ 0 0 20 -4,-2.8 5,-3.5 2,-0.2 6,-0.7 0.888 109.9 48.8 -56.8 -44.3 9.8 13.9 0.2 107 110 A A H ><5S+ 0 0 27 -4,-2.3 3,-1.7 3,-0.2 -1,-0.2 0.948 111.5 49.8 -62.3 -48.5 10.6 17.4 1.4 108 111 A L H 3<5S+ 0 0 79 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.870 114.2 45.3 -57.8 -38.5 13.0 17.9 -1.6 109 112 A N T 3<5S- 0 0 105 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.225 113.6-115.6 -92.5 15.1 10.3 16.7 -4.0 110 113 A K T < 5S+ 0 0 182 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.858 75.7 132.0 55.2 39.8 7.5 18.7 -2.4 111 114 A Q < + 0 0 144 -5,-3.5 -4,-0.2 -6,-0.2 -1,-0.1 0.537 49.9 79.8 -96.4 -9.5 5.7 15.6 -1.4 112 115 A I S S- 0 0 22 -6,-0.7 3,-0.1 -5,-0.1 -73,-0.1 -0.766 96.8 -98.9 -97.1 142.4 5.1 16.8 2.2 113 116 A P - 0 0 35 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.329 46.1-109.2 -58.2 143.4 2.2 19.3 2.8 114 117 A S > - 0 0 62 1,-0.1 4,-2.6 -4,-0.1 5,-0.2 -0.281 24.7-110.9 -69.1 161.8 3.6 22.8 3.0 115 118 A K H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.895 119.8 57.0 -60.4 -38.4 3.6 24.5 6.4 116 119 A S H > S+ 0 0 56 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.909 110.5 42.0 -59.0 -44.1 0.9 26.9 5.1 117 120 A E H >4 S+ 0 0 91 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.874 110.2 57.2 -71.7 -36.9 -1.4 23.9 4.3 118 121 A I H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.871 102.9 55.7 -61.0 -35.7 -0.5 22.1 7.5 119 122 A E H 3< S+ 0 0 124 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.740 105.8 51.3 -70.0 -22.1 -1.7 25.2 9.4 120 123 A K T << S+ 0 0 144 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 0.448 93.8 96.7 -92.9 -2.0 -5.1 25.1 7.7 121 124 A M S < S- 0 0 38 -3,-1.0 2,-0.1 -4,-0.4 -3,-0.0 -0.692 71.6-130.6 -93.2 142.0 -5.6 21.4 8.6 122 125 A S > - 0 0 42 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.365 35.7-103.0 -77.2 166.5 -7.5 20.1 11.5 123 126 A E H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.887 125.2 55.0 -60.1 -35.9 -5.8 17.5 13.7 124 127 A E H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 110.4 44.6 -63.5 -39.3 -8.0 14.9 12.0 125 128 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.884 111.4 53.0 -72.8 -37.6 -6.8 16.0 8.6 126 129 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.896 109.0 51.0 -62.0 -41.9 -3.2 16.2 9.8 127 130 A M H X S+ 0 0 36 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.932 111.0 46.7 -61.3 -48.1 -3.5 12.6 11.0 128 131 A E H < S+ 0 0 132 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.855 119.0 42.2 -63.5 -36.0 -4.9 11.4 7.7 129 132 A S H >< S+ 0 0 35 -4,-2.2 3,-1.2 1,-0.1 -2,-0.2 0.960 118.3 38.4 -77.6 -55.8 -2.2 13.2 5.7 130 133 A L H >< S+ 0 0 1 -4,-2.8 3,-2.1 1,-0.3 6,-0.2 0.741 101.1 73.0 -71.6 -22.3 1.0 12.6 7.7 131 134 A S T 3< S+ 0 0 35 -4,-1.6 -1,-0.3 -5,-0.4 4,-0.1 0.613 83.3 73.2 -66.5 -9.7 0.2 9.0 8.6 132 135 A K T < S+ 0 0 156 -3,-1.2 2,-0.4 -4,-0.1 -1,-0.3 0.644 80.0 92.3 -76.1 -14.9 0.9 8.3 5.0 133 136 A I S X S- 0 0 28 -3,-2.1 3,-2.4 3,-0.2 2,-0.2 -0.679 89.4-111.6 -85.5 129.1 4.6 8.8 5.8 134 137 A K T 3 S+ 0 0 119 -2,-0.4 -31,-0.1 1,-0.3 3,-0.1 -0.409 105.2 17.6 -60.1 122.8 6.6 5.7 6.8 135 138 A G T 3 S+ 0 0 16 -2,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.321 104.0 104.0 96.7 -5.8 7.5 6.0 10.5 136 139 A V < + 0 0 2 -3,-2.4 -3,-0.2 -6,-0.2 2,-0.2 -0.923 40.0 136.6-116.2 110.1 4.9 8.6 11.2 137 140 A K > - 0 0 108 -2,-0.6 4,-2.6 -3,-0.1 5,-0.3 -0.611 66.5 -52.3-132.5-164.1 1.7 7.6 13.0 138 141 A R H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.847 129.8 42.9 -40.9 -60.3 -0.6 8.9 15.8 139 142 A W H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 116.0 48.3 -57.2 -47.9 1.9 9.5 18.5 140 143 A T H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 112.0 49.0 -62.9 -39.6 4.5 11.0 16.2 141 144 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.859 109.5 53.1 -70.2 -33.9 1.9 13.4 14.7 142 145 A E H X S+ 0 0 6 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.926 109.9 47.3 -64.9 -45.1 0.7 14.4 18.2 143 146 A M H X S+ 0 0 10 -4,-2.2 4,-3.0 2,-0.2 5,-0.5 0.899 112.5 49.6 -63.0 -41.0 4.3 15.3 19.2 144 147 A Y H X>S+ 0 0 3 -4,-2.1 5,-2.3 1,-0.2 4,-1.7 0.903 110.8 50.9 -63.0 -40.9 4.8 17.3 16.0 145 148 A S H <>S+ 0 0 0 -4,-2.3 6,-2.5 3,-0.2 5,-0.5 0.852 119.2 36.6 -65.2 -36.1 1.5 19.1 16.6 146 149 A I H <5S+ 0 0 1 -4,-2.0 4,-0.4 4,-0.2 -2,-0.2 0.956 125.2 33.1 -81.4 -57.5 2.6 20.0 20.2 147 150 A F H <5S+ 0 0 84 -4,-3.0 -114,-2.0 -5,-0.2 -3,-0.2 0.701 134.1 21.0 -79.1 -21.8 6.3 20.7 20.0 148 151 A T T <5S+ 0 0 8 -4,-1.7 -3,-0.2 -5,-0.5 -112,-0.1 0.785 128.1 39.2-107.8 -62.6 6.5 22.2 16.5 149 152 A L T + 0 0 0 0, 0.0 3,-2.1 0, 0.0 6,-0.2 -0.471 25.3 166.8 -79.4 70.5 -1.6 12.5 23.4 157 160 A A T 3 + 0 0 0 -2,-2.6 24,-0.2 1,-0.3 25,-0.1 0.678 69.1 59.7 -59.9 -20.8 -3.8 10.0 25.2 158 161 A D T 3 S+ 0 0 36 -3,-0.2 2,-0.4 23,-0.1 -1,-0.3 0.450 75.3 118.7 -88.9 -3.2 -1.8 7.2 23.8 159 162 A D <> - 0 0 14 -3,-2.1 4,-2.6 1,-0.1 5,-0.2 -0.517 59.5-146.3 -70.1 121.9 1.5 8.4 25.4 160 163 A S H > S+ 0 0 62 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.904 97.3 45.4 -53.1 -50.7 2.8 5.7 27.8 161 164 A T H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 112.0 50.9 -62.2 -45.7 4.2 8.2 30.3 162 165 A L H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.917 108.8 53.4 -59.3 -40.8 1.1 10.4 30.3 163 166 A K H X S+ 0 0 31 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.904 107.9 49.8 -60.2 -41.8 -0.9 7.2 30.9 164 167 A N H X S+ 0 0 66 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.907 113.3 46.5 -63.8 -40.1 1.2 6.4 33.9 165 168 A E H X S+ 0 0 12 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.885 109.7 53.5 -68.5 -38.9 0.8 10.0 35.2 166 169 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 6,-0.3 0.877 103.7 57.2 -62.8 -38.1 -3.0 9.9 34.5 167 170 A K H <>S+ 0 0 74 -4,-2.1 5,-2.6 -5,-0.2 4,-0.3 0.936 114.8 37.2 -58.8 -45.7 -3.2 6.7 36.6 168 171 A E H ><5S+ 0 0 118 -4,-1.5 3,-0.8 3,-0.2 -2,-0.2 0.950 118.0 49.9 -70.4 -49.5 -1.7 8.5 39.6 169 172 A F H 3<5S+ 0 0 30 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.892 119.0 36.1 -56.6 -47.8 -3.4 11.8 39.0 170 173 A F T 3<5S- 0 0 34 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.407 108.8-121.8 -88.8 2.6 -6.9 10.3 38.6 171 174 A G T < 5 + 0 0 64 -3,-0.8 2,-0.2 -4,-0.3 -3,-0.2 0.945 48.8 172.3 57.3 51.4 -6.3 7.7 41.2 172 175 A L < - 0 0 39 -5,-2.6 -1,-0.2 -6,-0.3 3,-0.1 -0.586 38.8-134.3 -91.2 155.4 -7.0 4.8 38.9 173 176 A S S S+ 0 0 126 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.759 87.7 21.9 -80.2 -25.4 -6.4 1.1 39.9 174 177 A S S S- 0 0 83 -7,-0.0 -1,-0.1 -3,-0.0 -2,-0.0 -0.958 100.0 -79.2-140.1 157.8 -4.7 0.2 36.6 175 178 A K - 0 0 77 -2,-0.3 -11,-0.1 1,-0.1 -12,-0.1 -0.376 61.6-118.3 -55.9 122.2 -2.9 2.1 33.8 176 179 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.256 17.5-116.5 -68.1 150.9 -5.7 3.5 31.7 177 180 A Q > - 0 0 138 1,-0.1 4,-1.8 -14,-0.0 3,-0.3 -0.352 35.0-103.4 -75.9 165.3 -6.4 2.7 28.1 178 181 A T H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.921 122.6 54.9 -57.0 -46.2 -6.1 5.5 25.5 179 182 A E H > S+ 0 0 154 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.853 107.0 51.4 -55.7 -38.5 -9.9 5.8 25.3 180 183 A E H > S+ 0 0 70 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.881 107.5 50.5 -69.7 -40.7 -10.1 6.3 29.1 181 184 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.911 109.3 53.4 -64.0 -38.3 -7.5 9.1 29.1 182 185 A E H < S+ 0 0 72 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.912 111.8 44.9 -62.2 -41.7 -9.4 10.8 26.4 183 186 A K H >< S+ 0 0 148 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.930 112.7 49.6 -68.3 -46.4 -12.6 10.6 28.4 184 187 A L H 3< S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.768 113.3 46.2 -65.1 -28.3 -11.0 11.8 31.7 185 188 A T T >< S+ 0 0 0 -4,-1.8 3,-1.9 -5,-0.2 4,-0.3 0.410 79.5 102.7 -96.6 1.4 -9.3 14.8 30.1 186 189 A K G X S+ 0 0 111 -3,-1.0 3,-2.0 -4,-0.4 -1,-0.2 0.868 74.3 61.2 -51.0 -42.6 -12.3 16.1 28.1 187 190 A P G 3 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.734 91.3 71.3 -59.4 -19.7 -13.0 18.9 30.7 188 191 A C G X S+ 0 0 0 -3,-1.9 3,-2.4 2,-0.1 -2,-0.2 0.622 81.6 150.5 -72.8 -14.0 -9.5 20.2 29.8 189 192 A K T < + 0 0 88 -3,-2.0 -36,-0.1 1,-0.3 -3,-0.0 -0.321 53.9 26.6 -58.7 146.9 -10.7 21.4 26.4 190 193 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.835 128.9 43.9 -95.7 31.5 -9.7 23.6 24.7 191 194 A Y <> + 0 0 21 -3,-2.4 4,-1.9 1,-0.1 3,-0.4 -0.182 62.4 136.3-125.2 42.1 -6.3 23.5 26.3 192 195 A R H > + 0 0 47 1,-0.2 4,-2.4 2,-0.2 -39,-0.3 0.740 69.2 62.5 -63.5 -22.0 -5.6 19.8 26.4 193 196 A T H > S+ 0 0 2 -41,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.951 107.4 43.8 -65.8 -45.7 -2.0 20.3 25.3 194 197 A I H > S+ 0 0 0 -42,-0.8 4,-2.3 -3,-0.4 -2,-0.2 0.876 111.4 54.1 -66.0 -37.0 -1.3 22.3 28.4 195 198 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.921 109.1 48.7 -62.1 -43.6 -3.2 19.7 30.5 196 199 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -42,-0.3 -2,-0.2 0.921 108.9 53.7 -61.2 -44.2 -0.9 17.1 29.0 197 200 A W H X S+ 0 0 20 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.900 108.2 49.5 -58.3 -43.7 2.2 19.2 29.8 198 201 A Y H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 4,-0.5 0.920 109.8 50.2 -63.7 -42.8 1.1 19.5 33.4 199 202 A L H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.910 106.7 57.1 -60.4 -39.4 0.6 15.8 33.8 200 203 A W H 3< S+ 0 0 42 -4,-2.5 4,-0.3 1,-0.3 -1,-0.3 0.660 101.0 58.1 -65.2 -15.9 4.1 15.4 32.2 201 204 A Q T X< S+ 0 0 25 -3,-1.2 3,-0.5 -4,-0.6 -1,-0.3 0.563 77.4 93.4 -91.2 -8.5 5.5 17.5 35.1 202 205 A I G X S+ 0 0 35 -3,-1.5 3,-1.6 -4,-0.5 -1,-0.2 0.877 83.0 52.5 -52.1 -43.1 4.3 15.2 37.9 203 206 A P G 3 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.888 100.0 62.8 -62.3 -36.8 7.5 13.3 38.0 204 207 A K G < 0 0 162 -3,-0.5 -2,-0.2 -4,-0.3 -3,-0.1 0.416 360.0 360.0 -68.6 3.7 9.5 16.5 38.4 205 208 A L < 0 0 121 -3,-1.6 -1,-0.2 -4,-0.2 -180,-0.0 -0.613 360.0 360.0 -91.9 360.0 7.7 17.1 41.7