==== 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 HYDROLASE/DNA 18-SEP-09 3JX7 . COMPND 2 MOLECULE: ALKYLPURINE DNA GLYCOSYLASE ALKD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR E.H.RUBINSON,B.F.EICHMAN . 232 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 1 2 2 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 A P 0 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.9 9.4 -30.4 16.4 2 1 A M - 0 0 77 1,-0.1 63,-0.1 2,-0.1 5,-0.0 -0.261 360.0 -99.2 -57.9 139.9 9.9 -26.6 16.7 3 2 A H > - 0 0 32 1,-0.1 4,-2.5 61,-0.1 3,-0.5 -0.412 30.4-124.1 -59.8 136.4 12.9 -25.3 14.8 4 3 A P H > S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.797 110.6 55.2 -57.0 -30.2 15.8 -24.8 17.3 5 4 A F H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.905 110.4 45.0 -69.2 -41.7 16.2 -21.1 16.3 6 5 A V H > S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.897 112.3 52.0 -66.4 -42.3 12.5 -20.5 17.2 7 6 A K H X S+ 0 0 91 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.918 110.4 48.8 -59.1 -44.5 12.9 -22.5 20.4 8 7 A A H X S+ 0 0 12 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.897 112.0 48.4 -62.1 -41.5 15.9 -20.4 21.4 9 8 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.925 110.9 51.2 -65.7 -43.8 14.0 -17.2 20.6 10 9 A Q H X S+ 0 0 43 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.932 112.3 45.8 -59.3 -46.1 11.0 -18.4 22.6 11 10 A E H X S+ 0 0 115 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.923 115.5 46.2 -61.9 -45.0 13.2 -19.2 25.7 12 11 A H H X S+ 0 0 46 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.909 114.2 46.3 -69.8 -44.7 15.1 -16.0 25.5 13 12 A F H >< S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.936 112.2 51.7 -60.6 -46.0 12.1 -13.7 25.0 14 13 A T H >< S+ 0 0 55 -4,-2.4 3,-1.5 -5,-0.3 -2,-0.2 0.876 102.8 59.1 -62.9 -35.7 10.2 -15.5 27.8 15 14 A A H 3< S+ 0 0 79 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.697 110.9 43.1 -64.3 -19.7 13.1 -15.1 30.2 16 15 A H T << S+ 0 0 82 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.090 84.4 140.4-114.1 23.2 12.8 -11.3 29.8 17 16 A Q < - 0 0 100 -3,-1.5 20,-0.2 21,-0.1 -3,-0.1 -0.262 37.7-156.3 -69.0 156.1 9.0 -11.0 29.9 18 17 A N > - 0 0 48 18,-2.5 4,-2.1 1,-0.1 3,-0.4 -0.853 9.7-175.1-136.7 92.8 7.4 -8.1 31.7 19 18 A P H > S+ 0 0 77 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.813 84.9 60.2 -63.0 -28.8 3.9 -8.9 32.9 20 19 A E H 4 S+ 0 0 146 1,-0.2 3,-0.2 2,-0.2 17,-0.1 0.908 112.5 36.4 -64.4 -44.4 3.4 -5.3 34.1 21 20 A K H > S+ 0 0 86 -3,-0.4 4,-2.2 1,-0.2 16,-0.2 0.771 106.6 69.9 -76.8 -28.4 4.0 -3.9 30.7 22 21 A A H X S+ 0 0 14 -4,-2.1 4,-2.5 14,-0.3 5,-0.2 0.859 92.7 59.0 -58.8 -36.7 2.1 -6.8 29.0 23 22 A E H X S+ 0 0 80 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.972 111.0 36.4 -59.3 -59.2 -1.2 -5.6 30.4 24 23 A P H > S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.868 116.0 56.4 -63.4 -35.4 -1.2 -2.1 28.8 25 24 A M H X S+ 0 0 37 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.907 109.7 44.8 -63.0 -40.7 0.4 -3.5 25.6 26 25 A A H ><>S+ 0 0 11 -4,-2.5 5,-2.7 1,-0.2 3,-0.6 0.911 111.1 53.5 -68.2 -41.1 -2.4 -6.0 25.2 27 26 A R H ><5S+ 0 0 160 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.860 101.5 60.2 -60.6 -35.9 -5.1 -3.4 25.9 28 27 A Y H 3<5S+ 0 0 163 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 105.3 47.9 -62.1 -34.6 -3.6 -1.2 23.2 29 28 A M T X<5S- 0 0 16 -4,-0.9 3,-1.7 -3,-0.6 -1,-0.3 0.004 124.3-106.2 -94.0 26.8 -4.3 -3.9 20.7 30 29 A K T < 5 - 0 0 153 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.794 62.9 -71.9 54.0 34.2 -7.8 -4.3 22.0 31 30 A N T 3 - 0 0 92 -2,-0.6 4,-2.8 1,-0.1 5,-0.2 -0.254 31.3 -92.3 -83.1 173.0 8.9 -3.4 23.6 40 39 A T H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.855 116.3 51.2 -62.4 -45.8 10.7 -2.9 20.3 41 40 A P H > S+ 0 0 107 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.948 118.8 38.0 -58.6 -47.4 14.2 -1.8 21.2 42 41 A E H > S+ 0 0 85 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.906 113.1 57.3 -68.2 -39.5 14.7 -4.7 23.7 43 42 A R H X S+ 0 0 14 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.896 108.1 47.3 -59.1 -40.2 12.8 -7.2 21.4 44 43 A R H X S+ 0 0 127 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.887 111.4 51.0 -69.4 -36.4 15.2 -6.5 18.6 45 44 A Q H X S+ 0 0 88 -4,-1.6 4,-2.6 -5,-0.3 -2,-0.2 0.910 108.0 52.2 -64.9 -42.1 18.2 -6.9 20.9 46 45 A L H X S+ 0 0 6 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.897 110.6 48.0 -63.3 -38.5 17.0 -10.2 22.1 47 46 A L H X S+ 0 0 5 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.928 109.9 53.1 -63.2 -44.6 16.6 -11.4 18.5 48 47 A K H X S+ 0 0 100 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.905 104.8 56.0 -54.1 -43.4 20.2 -10.1 17.9 49 48 A D H X S+ 0 0 45 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.899 109.2 45.6 -55.6 -46.0 21.4 -12.1 20.8 50 49 A I H X S+ 0 0 8 -4,-1.5 4,-2.8 2,-0.2 5,-0.5 0.880 111.3 51.3 -71.1 -38.1 20.0 -15.3 19.3 51 50 A I H X S+ 0 0 37 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.911 109.1 52.7 -62.9 -40.1 21.4 -14.6 15.8 52 51 A Q H < S+ 0 0 119 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.881 116.9 37.6 -61.8 -39.3 24.8 -14.0 17.4 53 52 A I H < S+ 0 0 124 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.925 133.5 20.7 -78.5 -47.0 24.8 -17.3 19.2 54 53 A H H < S- 0 0 87 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.666 99.4-128.2 -98.3 -18.9 23.1 -19.6 16.6 55 54 A T < - 0 0 98 -4,-2.2 -3,-0.1 -5,-0.5 3,-0.1 0.201 43.1 -64.2 71.2 154.0 23.6 -17.6 13.4 56 55 A L - 0 0 55 1,-0.1 3,-0.1 -5,-0.1 -5,-0.0 -0.558 66.0-107.0 -68.2 129.5 20.6 -16.9 11.1 57 56 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.116 42.4 -83.3 -57.1 153.4 19.2 -20.1 9.7 58 57 A D > - 0 0 96 1,-0.1 3,-2.5 -3,-0.1 4,-0.2 -0.236 42.1-111.0 -52.3 146.0 19.7 -21.2 6.1 59 58 A Q G > S+ 0 0 99 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.746 113.7 74.6 -54.1 -26.5 17.2 -19.7 3.7 60 59 A K G 3 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.765 99.9 45.4 -59.0 -22.4 15.7 -23.1 3.2 61 60 A D G <> S+ 0 0 23 -3,-2.5 4,-2.6 1,-0.1 -1,-0.3 0.394 84.0 102.5-100.3 -0.3 14.1 -22.6 6.7 62 61 A F H <> S+ 0 0 4 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.937 85.8 37.9 -53.8 -59.6 12.9 -19.0 6.2 63 62 A Q H > S+ 0 0 68 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.859 115.3 55.9 -63.7 -34.5 9.2 -19.6 5.6 64 63 A I H > S+ 0 0 80 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 108.4 46.9 -62.3 -46.9 9.2 -22.4 8.2 65 64 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.921 111.7 51.0 -64.4 -42.8 10.6 -20.1 11.0 66 65 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.935 112.1 46.7 -60.6 -46.6 8.1 -17.3 10.1 67 66 A R H X S+ 0 0 98 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.893 110.7 51.3 -65.8 -37.9 5.2 -19.7 10.3 68 67 A E H < S+ 0 0 53 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.913 113.3 45.3 -65.6 -40.7 6.2 -21.2 13.6 69 68 A L H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.873 109.2 56.4 -67.5 -37.8 6.6 -17.8 15.1 70 69 A W H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.840 104.9 54.1 -61.2 -31.9 3.3 -16.7 13.6 71 70 A D T 3< S+ 0 0 111 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.565 85.9 99.3 -83.4 -9.8 1.7 -19.7 15.4 72 71 A L S < S- 0 0 16 -3,-1.0 6,-0.1 -4,-0.4 5,-0.1 -0.520 76.0-128.2 -77.9 149.7 3.0 -18.7 18.9 73 72 A P S S+ 0 0 64 0, 0.0 -39,-0.7 0, 0.0 2,-0.2 0.870 80.2 83.4 -70.6 -40.6 0.5 -16.9 21.1 74 73 A E B >> S-a 34 0A 41 1,-0.1 3,-1.9 -41,-0.1 4,-0.6 -0.448 75.4-134.3 -77.2 139.0 2.4 -13.8 22.2 75 74 A R H >> S+ 0 0 4 -41,-2.7 4,-2.0 1,-0.3 3,-0.9 0.789 98.6 71.1 -63.9 -30.3 2.4 -10.9 19.8 76 75 A E H 3> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.773 91.3 61.5 -57.1 -26.2 6.1 -10.3 20.2 77 76 A F H <> S+ 0 0 0 -3,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.859 104.2 46.3 -72.4 -32.2 6.7 -13.4 18.2 78 77 A Q H < S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.890 103.1 55.8 -63.6 -34.8 11.6 -11.6 7.3 86 85 A Q H >< S+ 0 0 104 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.862 102.4 57.3 -62.0 -35.9 13.5 -8.3 6.7 87 86 A K H 3< S+ 0 0 116 -4,-1.2 3,-0.2 1,-0.2 -1,-0.2 0.773 110.8 42.1 -64.3 -27.3 16.7 -10.3 7.3 88 87 A Y T X< S+ 0 0 5 -4,-1.0 3,-2.8 -3,-0.7 4,-0.4 0.237 80.4 122.0-100.7 11.5 15.7 -12.6 4.4 89 88 A K G X + 0 0 47 -3,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.781 65.3 60.1 -44.0 -41.9 14.5 -9.7 2.2 90 89 A K G 3 S+ 0 0 205 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.545 102.2 54.5 -72.7 -4.2 16.8 -10.5 -0.7 91 90 A H G < S+ 0 0 87 -3,-2.8 2,-0.3 2,-0.1 -1,-0.3 0.490 87.1 99.9-102.1 -6.7 15.3 -13.9 -1.1 92 91 A I < + 0 0 24 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.0 -0.648 44.7 151.0 -89.3 132.5 11.7 -12.7 -1.4 93 92 A N > - 0 0 60 -2,-0.3 3,-2.1 34,-0.0 31,-0.1 -0.741 61.8 -66.4-144.0-168.9 10.1 -12.4 -4.9 94 93 A E G > S+ 0 0 67 1,-0.3 3,-1.6 -2,-0.2 -2,-0.0 0.742 121.4 69.1 -60.9 -23.5 6.8 -12.5 -6.7 95 94 A T G 3 S+ 0 0 97 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.681 91.3 63.2 -69.9 -13.7 6.5 -16.2 -5.8 96 95 A H G <> S+ 0 0 18 -3,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.349 70.6 100.5 -90.1 4.0 6.0 -15.3 -2.2 97 96 A I H <> S+ 0 0 0 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.956 83.9 45.7 -58.3 -49.0 2.8 -13.3 -2.7 98 97 A P H > S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.898 111.3 54.0 -61.1 -36.9 0.5 -16.1 -1.5 99 98 A F H > S+ 0 0 33 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.916 111.5 45.2 -57.5 -45.1 2.8 -16.7 1.5 100 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.873 109.0 56.1 -70.2 -37.4 2.4 -13.0 2.4 101 100 A E H X S+ 0 0 31 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.905 106.1 51.3 -55.6 -44.5 -1.3 -13.1 1.8 102 101 A E H < S+ 0 0 87 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.894 108.3 51.1 -67.2 -36.5 -1.6 -15.9 4.3 103 102 A L H >< S+ 0 0 0 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.893 107.9 54.4 -63.6 -38.2 0.4 -13.9 6.9 104 103 A I H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.900 111.6 42.9 -60.7 -41.2 -2.0 -10.9 6.3 105 104 A V T 3< S+ 0 0 45 -4,-1.8 2,-0.4 -5,-0.1 -1,-0.2 0.306 104.6 72.3 -96.0 8.8 -5.1 -13.0 7.0 106 105 A T S < S+ 0 0 39 -3,-0.8 3,-0.2 -4,-0.4 0, 0.0 -0.975 112.2 0.8-123.0 142.6 -3.8 -14.9 10.1 107 106 A K S S- 0 0 69 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.907 98.1-168.2 47.3 45.9 -3.2 -13.2 13.5 108 107 A S + 0 0 27 -3,-0.2 2,-0.3 4,-0.1 -1,-0.2 -0.459 26.5 126.3 -78.2 131.2 -4.5 -10.1 11.7 109 108 A W > - 0 0 33 -2,-0.3 4,-2.3 -3,-0.2 5,-0.3 -0.947 69.0 -90.5-164.4 174.5 -4.4 -6.6 13.1 110 109 A W H > S+ 0 0 71 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.823 118.3 59.3 -64.7 -31.0 -3.1 -3.2 12.0 111 110 A D H > S+ 0 0 32 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.953 113.9 33.9 -64.4 -47.8 0.4 -3.7 13.4 112 111 A S H > S+ 0 0 2 -5,-0.2 4,-0.9 2,-0.2 3,-0.4 0.935 118.9 50.9 -73.4 -43.8 1.2 -6.9 11.4 113 112 A V H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 3,-1.0 0.921 109.4 50.1 -63.0 -42.7 -0.6 -5.9 8.3 114 113 A D H 3< S+ 0 0 31 -4,-2.2 -1,-0.3 -5,-0.3 5,-0.2 0.773 109.9 53.1 -65.7 -26.7 1.0 -2.4 8.1 115 114 A S H 3< S+ 0 0 57 -4,-0.9 5,-0.4 -3,-0.4 -1,-0.3 0.624 115.2 39.7 -82.4 -15.7 4.4 -4.1 8.5 116 115 A I H S+ 0 0 0 -3,-1.0 5,-1.7 -4,-0.9 4,-0.5 0.804 112.0 52.4 -95.3 -38.2 3.8 -6.5 5.6 117 116 A V T <>S+ 0 0 1 -4,-2.4 5,-2.1 3,-0.2 4,-0.2 0.976 106.7 35.5 -78.5 -63.7 2.1 -4.4 3.0 118 117 A P T 45S+ 0 0 8 0, 0.0 39,-0.3 0, 0.0 -1,-0.2 0.735 128.5 36.8 -66.4 -21.4 3.8 -1.1 2.0 119 118 A T T >5S+ 0 0 34 -5,-0.2 4,-2.5 3,-0.2 5,-0.2 0.900 127.2 22.0 -92.9 -74.8 7.2 -2.8 2.4 120 119 A F H X5S+ 0 0 5 -4,-0.5 4,-1.7 -5,-0.4 -3,-0.2 0.948 134.4 34.6 -66.5 -52.0 7.3 -6.4 1.3 121 120 A L H >< + 0 0 29 -4,-1.9 3,-2.0 -5,-0.2 4,-0.3 -0.535 63.6 159.0-133.0 65.8 6.1 -6.8 -11.0 129 128 A P G > S+ 0 0 74 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.753 71.1 70.9 -63.7 -22.4 3.3 -4.3 -11.7 130 129 A E G 3 S+ 0 0 123 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.649 93.1 57.6 -69.0 -14.4 1.8 -6.8 -14.2 131 130 A L G X S+ 0 0 45 -3,-2.0 3,-1.4 1,-0.2 4,-0.4 0.556 79.9 88.1 -92.5 -9.5 0.8 -9.0 -11.2 132 131 A I G X> S+ 0 0 18 -3,-1.3 4,-2.8 -4,-0.3 3,-1.9 0.928 86.7 51.9 -54.0 -47.0 -1.2 -6.4 -9.4 133 132 A S G 34 S+ 0 0 95 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.582 99.3 64.6 -73.5 -7.0 -4.4 -7.4 -11.3 134 133 A A G <4 S+ 0 0 63 -3,-1.4 -1,-0.3 3,-0.1 -2,-0.2 0.552 122.9 14.2 -82.8 -7.9 -3.9 -11.0 -10.3 135 134 A Y T <> S+ 0 0 43 -3,-1.9 4,-2.4 -4,-0.4 3,-0.3 0.658 110.8 68.0-132.4 -49.4 -4.4 -10.0 -6.7 136 135 A I H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.895 101.1 50.2 -54.9 -46.8 -5.9 -6.6 -6.0 137 136 A P H > S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.918 112.5 47.9 -60.8 -39.8 -9.4 -7.3 -7.5 138 137 A K H > S+ 0 0 108 -3,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.891 110.5 52.3 -62.8 -41.3 -9.7 -10.5 -5.4 139 138 A W H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 5,-0.2 0.923 111.4 45.6 -61.4 -44.3 -8.5 -8.6 -2.3 140 139 A I H < S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 114.1 49.1 -66.5 -38.3 -11.1 -5.9 -2.7 141 140 A A H < S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.642 94.9 99.1 -75.3 -15.4 -13.8 -8.5 -3.4 142 141 A S S < S- 0 0 26 -4,-1.1 -3,-0.0 -3,-0.4 6,-0.0 -0.163 81.7-122.8 -73.7 166.5 -13.0 -10.6 -0.4 143 142 A D S S+ 0 0 172 4,-0.0 2,-0.6 5,-0.0 -1,-0.1 0.451 82.6 106.4 -80.6 2.8 -14.7 -10.5 2.9 144 143 A N > - 0 0 45 -5,-0.2 4,-2.0 1,-0.2 3,-0.4 -0.734 54.6-164.5-102.9 114.5 -11.4 -9.6 4.5 145 144 A I H > S+ 0 0 41 -2,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.805 92.3 56.9 -64.9 -26.4 -10.8 -6.0 5.8 146 145 A W H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.862 106.8 46.6 -76.1 -34.8 -7.0 -6.7 6.0 147 146 A L H > S+ 0 0 9 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.872 113.4 51.2 -68.2 -36.3 -6.8 -7.7 2.3 148 147 A Q H X S+ 0 0 30 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.947 110.1 47.9 -65.0 -44.2 -8.8 -4.6 1.5 149 148 A R H X S+ 0 0 11 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.883 109.0 55.6 -62.3 -36.9 -6.4 -2.5 3.5 150 149 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.895 104.3 52.9 -60.7 -42.6 -3.6 -4.2 1.7 151 150 A A H < S+ 0 0 0 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.893 113.9 43.7 -60.3 -38.2 -5.0 -3.2 -1.6 152 151 A I H < S+ 0 0 1 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.907 120.2 38.0 -71.8 -44.4 -5.1 0.4 -0.4 153 152 A L H >< S+ 0 0 1 -4,-2.6 3,-2.1 1,-0.2 4,-0.3 0.529 84.7 90.5 -94.8 -7.2 -1.7 0.6 1.2 154 153 A F T 3< S+ 0 0 0 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.822 95.2 45.5 -62.3 -26.0 0.6 -1.4 -1.0 155 154 A Q T > S+ 0 0 2 -3,-0.4 3,-2.2 -4,-0.3 4,-0.4 0.306 79.9 115.3 -92.0 8.0 1.4 1.8 -3.0 156 155 A L T < S+ 0 0 9 -3,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.819 82.7 33.9 -49.0 -44.0 1.9 3.9 0.2 157 156 A K T 3 S+ 0 0 125 -3,-0.3 -1,-0.3 -4,-0.3 4,-0.1 0.246 87.3 104.9 -98.1 12.1 5.6 4.6 -0.3 158 157 A Y X + 0 0 16 -3,-2.2 3,-2.8 1,-0.2 -1,-0.2 0.767 46.7 169.7 -69.0 -26.4 5.5 4.8 -4.1 159 158 A K G > S+ 0 0 132 -3,-0.4 3,-2.0 -4,-0.4 -1,-0.2 -0.285 75.3 6.6 51.7-121.9 5.8 8.6 -4.3 160 159 A Q G 3 S+ 0 0 181 1,-0.3 -1,-0.3 36,-0.0 -2,-0.1 0.642 129.8 62.9 -67.0 -12.2 6.4 9.5 -8.0 161 160 A K G < S+ 0 0 150 -3,-2.8 -1,-0.3 -4,-0.1 -2,-0.2 0.438 75.2 129.7 -90.6 0.8 5.9 5.9 -8.9 162 161 A M < - 0 0 16 -3,-2.0 2,-1.1 -4,-0.1 3,-0.1 -0.279 59.7-136.3 -53.5 132.0 2.3 5.9 -7.8 163 162 A D > - 0 0 77 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.827 23.8-172.4 -88.0 97.6 -0.3 4.6 -10.3 164 163 A E H > S+ 0 0 61 -2,-1.1 4,-2.7 1,-0.2 5,-0.3 0.904 79.5 52.1 -61.7 -46.8 -2.8 7.4 -9.8 165 164 A E H > S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 114.2 44.8 -56.5 -43.8 -5.6 5.8 -11.9 166 165 A L H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.930 111.3 52.3 -65.8 -47.7 -5.2 2.5 -9.9 167 166 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.939 113.2 43.8 -53.6 -50.8 -5.1 4.3 -6.5 168 167 A F H X S+ 0 0 35 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.848 111.8 53.5 -70.1 -30.7 -8.3 6.2 -7.2 169 168 A W H X S+ 0 0 120 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.937 110.3 47.5 -65.1 -45.1 -10.0 3.1 -8.6 170 169 A I H X S+ 0 0 0 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.932 113.4 48.0 -61.4 -45.9 -9.2 1.1 -5.5 171 170 A I H >X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.9 0.930 108.1 55.5 -61.3 -45.5 -10.4 4.0 -3.3 172 171 A G H 3< S+ 0 0 27 -4,-2.7 3,-0.3 1,-0.3 4,-0.2 0.867 105.8 52.1 -52.7 -39.9 -13.6 4.3 -5.3 173 172 A Q H 3< S+ 0 0 105 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.776 120.5 32.8 -68.4 -25.4 -14.3 0.6 -4.7 174 173 A L H X< S+ 0 0 9 -4,-1.0 3,-1.7 -3,-0.9 -2,-0.2 0.393 84.7 102.9-114.8 1.7 -13.9 0.9 -1.0 175 174 A H T 3< S+ 0 0 48 -4,-1.3 36,-0.3 -3,-0.3 -1,-0.1 0.685 80.7 54.4 -65.9 -19.7 -15.1 4.5 -0.2 176 175 A S T 3 S+ 0 0 81 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.496 78.5 123.8 -92.2 -3.7 -18.5 3.3 1.1 177 176 A S < - 0 0 29 -3,-1.7 34,-0.1 1,-0.2 -3,-0.0 -0.309 50.9-156.5 -59.6 136.5 -17.0 0.9 3.7 178 177 A K + 0 0 187 4,-0.1 2,-0.4 5,-0.0 -1,-0.2 0.410 59.4 115.7 -89.0 -0.6 -18.1 1.6 7.3 179 178 A E >> - 0 0 60 1,-0.1 4,-2.7 2,-0.0 3,-0.9 -0.573 62.2-146.0 -77.0 124.5 -15.0 -0.1 8.6 180 179 A F H 3> S+ 0 0 97 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.903 98.6 54.7 -52.2 -47.2 -12.6 2.2 10.5 181 180 A F H 3> S+ 0 0 26 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.761 112.6 44.2 -67.1 -21.1 -9.5 0.4 9.3 182 181 A I H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.913 114.2 47.7 -81.0 -50.0 -10.6 0.9 5.6 183 182 A Q H X S+ 0 0 35 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.912 115.4 46.2 -56.3 -44.5 -11.7 4.6 6.1 184 183 A K H X S+ 0 0 63 -4,-3.1 4,-2.7 -5,-0.2 -1,-0.2 0.882 109.1 53.5 -69.2 -37.9 -8.4 5.4 7.9 185 184 A A H X S+ 0 0 0 -4,-0.9 4,-2.7 -5,-0.3 5,-0.2 0.895 108.3 51.3 -63.8 -38.1 -6.2 3.6 5.3 186 185 A I H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.932 111.6 47.8 -61.6 -45.0 -7.8 5.6 2.6 187 186 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.920 112.7 48.8 -59.5 -45.0 -7.1 8.8 4.5 188 187 A W H X S+ 0 0 64 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.939 110.7 47.7 -65.1 -48.4 -3.5 7.8 5.2 189 188 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.891 114.9 46.9 -65.4 -37.9 -2.7 6.8 1.6 190 189 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.920 112.4 49.5 -66.0 -42.8 -4.2 10.1 0.3 191 190 A R H < S+ 0 0 34 -4,-2.6 4,-0.5 -5,-0.2 -2,-0.2 0.922 114.7 45.8 -61.6 -43.3 -2.4 12.2 2.9 192 191 A E H >< S+ 0 0 49 -4,-2.8 3,-1.5 1,-0.2 4,-0.4 0.936 113.0 47.7 -66.8 -47.1 0.9 10.5 2.1 193 192 A Y H >X S+ 0 0 12 -4,-2.5 4,-2.7 1,-0.3 3,-1.8 0.825 100.0 67.8 -66.5 -27.6 0.5 10.8 -1.7 194 193 A A T 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.722 88.4 67.5 -64.2 -18.8 -0.5 14.5 -1.3 195 194 A K T <4 S+ 0 0 136 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.751 112.0 32.6 -68.9 -23.4 3.1 15.0 -0.2 196 195 A T T <4 S+ 0 0 53 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.1 0.825 140.2 12.8 -96.2 -46.2 4.1 14.1 -3.8 197 196 A N X + 0 0 42 -4,-2.7 4,-1.5 1,-0.1 3,-0.2 -0.685 63.4 168.7-137.4 81.8 1.1 15.5 -5.7 198 197 A P H > S+ 0 0 39 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.871 76.4 58.0 -63.8 -39.6 -1.1 17.8 -3.6 199 198 A D H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 106.7 47.8 -58.0 -43.5 -3.2 19.1 -6.5 200 199 A V H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 113.9 46.2 -68.7 -38.2 -4.3 15.7 -7.6 201 200 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.925 112.3 50.6 -70.7 -42.8 -5.3 14.7 -4.1 202 201 A W H X S+ 0 0 51 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.945 111.8 47.5 -57.6 -48.6 -7.1 17.9 -3.4 203 202 A E H X S+ 0 0 103 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.921 112.0 51.6 -60.7 -40.8 -9.1 17.6 -6.6 204 203 A Y H >X S+ 0 0 16 -4,-2.0 3,-1.1 1,-0.2 4,-0.9 0.953 110.7 45.9 -62.4 -49.7 -10.0 14.0 -5.8 205 204 A V H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.786 112.8 50.5 -66.9 -26.8 -11.3 14.8 -2.3 206 205 A Q H 3< S+ 0 0 84 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.605 120.0 35.2 -83.1 -11.0 -13.3 17.7 -3.5 207 206 A N H << S+ 0 0 106 -3,-1.1 2,-0.3 -4,-0.9 -2,-0.2 0.341 109.0 59.2-128.9 5.2 -15.0 15.8 -6.3 208 207 A N S < S- 0 0 74 -4,-0.9 2,-0.1 -3,-0.1 -1,-0.1 -0.995 84.1-102.3-139.7 142.8 -15.5 12.2 -5.1 209 208 A E + 0 0 151 -2,-0.3 2,-0.3 -3,-0.1 -34,-0.1 -0.399 45.4 165.0 -67.2 135.7 -17.4 10.7 -2.1 210 209 A L - 0 0 30 -2,-0.1 -34,-0.1 -5,-0.1 -35,-0.1 -0.983 44.1 -94.8-142.4 153.3 -15.4 9.7 0.9 211 210 A A > - 0 0 10 -36,-0.3 4,-2.2 -2,-0.3 3,-0.3 -0.400 43.9-112.4 -58.6 145.3 -16.2 8.8 4.5 212 211 A P H > S+ 0 0 99 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.889 118.3 52.3 -48.8 -44.9 -15.7 11.9 6.7 213 212 A L H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 108.3 51.0 -59.6 -43.3 -12.7 10.3 8.4 214 213 A S H > S+ 0 0 1 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.917 113.6 43.6 -62.2 -45.2 -11.1 9.6 5.1 215 214 A K H X S+ 0 0 75 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.944 113.4 50.6 -65.6 -47.1 -11.5 13.1 3.8 216 215 A R H < S+ 0 0 144 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.912 114.5 44.2 -57.4 -47.6 -10.4 14.8 7.1 217 216 A E H >< S+ 0 0 31 -4,-2.5 3,-0.9 -5,-0.2 4,-0.3 0.884 109.5 56.9 -67.8 -37.8 -7.3 12.6 7.3 218 217 A A H 3< S+ 0 0 1 -4,-2.1 4,-0.4 -5,-0.2 3,-0.3 0.861 115.0 35.9 -59.9 -39.2 -6.4 13.1 3.6 219 218 A I T 3X S+ 0 0 27 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.230 78.0 119.0-104.4 15.1 -6.3 16.9 3.9 220 219 A K T <4 S+ 0 0 106 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.1 0.846 95.1 15.9 -47.9 -41.2 -4.8 17.1 7.4 221 220 A H T >4 S+ 0 0 103 -3,-0.3 3,-2.1 -4,-0.3 4,-0.4 0.842 122.1 57.6 -99.3 -47.4 -1.8 19.0 5.9 222 221 A I T 3> S+ 0 0 10 -4,-0.4 4,-1.4 1,-0.3 3,-0.5 0.637 85.9 79.1 -70.3 -10.6 -2.8 20.2 2.5 223 222 A K H 3X S+ 0 0 69 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.802 91.3 57.4 -61.6 -23.0 -5.8 22.1 3.8 224 223 A Q H <4 S+ 0 0 143 -3,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.835 103.8 52.0 -72.9 -31.8 -3.1 24.7 4.7 225 224 A N H 4 S+ 0 0 107 -3,-0.5 -2,-0.2 -4,-0.4 -1,-0.2 0.809 124.5 24.1 -69.7 -33.5 -2.0 24.8 1.0 226 225 A Y H < S- 0 0 71 -4,-1.4 -2,-0.2 1,-0.1 -3,-0.2 0.660 103.6-125.1-114.0 -21.6 -5.5 25.5 -0.3 227 226 A G < - 0 0 32 -4,-2.3 2,-0.6 -5,-0.3 -1,-0.1 -0.003 19.7 -91.7 93.1 158.9 -7.4 27.1 2.5 228 227 A I - 0 0 127 -4,-0.1 3,-0.1 -2,-0.0 -1,-0.1 -0.937 44.6-133.7-112.5 105.5 -10.7 26.3 4.2 229 228 A N - 0 0 125 -2,-0.6 2,-0.1 1,-0.1 -2,-0.0 -0.271 23.2-103.7 -60.8 141.7 -13.5 28.2 2.5 230 229 A N - 0 0 155 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.420 30.5-161.5 -59.3 139.4 -16.1 30.0 4.6 231 230 A E 0 0 170 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.734 360.0 360.0 -99.6 -26.3 -19.3 27.9 4.6 232 231 A K 0 0 251 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.965 360.0 360.0 74.9 360.0 -22.0 30.5 5.6