==== 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 21-SEP-09 3JXZ . COMPND 2 MOLECULE: ALKYLPURINE DNA GLYCOSYLASE ALKD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR E.H.RUBINSON,B.F.EICHMAN . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 74.7 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 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 52.4 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 0 0 0 1 2 2 4 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 1 A M 0 0 168 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.7 -2.8 -10.7 31.0 2 2 A H > - 0 0 34 1,-0.1 4,-2.4 61,-0.1 3,-0.4 -0.389 360.0-134.4 -60.6 127.1 -3.8 -8.0 28.6 3 3 A P H > S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.825 104.3 56.1 -53.3 -37.0 -7.5 -8.6 27.7 4 4 A F H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.934 110.2 44.5 -61.5 -47.2 -6.7 -8.1 24.0 5 5 A V H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.930 113.3 49.3 -62.9 -47.4 -4.1 -10.8 24.0 6 6 A K H X S+ 0 0 61 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.886 111.3 50.2 -64.2 -37.4 -6.1 -13.3 25.9 7 7 A A H X S+ 0 0 5 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.907 111.1 48.9 -62.2 -44.4 -9.1 -12.7 23.6 8 8 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.908 110.5 52.1 -62.5 -42.2 -6.8 -13.3 20.6 9 9 A Q H X S+ 0 0 63 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.912 112.1 44.2 -61.5 -44.4 -5.5 -16.4 22.2 10 10 A E H X S+ 0 0 130 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.916 115.1 48.9 -69.4 -38.8 -8.9 -17.9 22.8 11 11 A H H X S+ 0 0 44 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.960 113.1 45.9 -64.2 -52.7 -10.2 -16.9 19.3 12 12 A F H >< S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.922 112.3 52.0 -52.9 -48.7 -7.1 -18.4 17.5 13 13 A T H >< S+ 0 0 53 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.903 104.2 55.4 -60.3 -43.6 -7.3 -21.6 19.6 14 14 A A H 3< S+ 0 0 80 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.681 111.9 46.2 -60.5 -19.0 -11.0 -22.1 18.8 15 15 A H T << S+ 0 0 97 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.124 82.5 134.0-115.1 21.1 -10.1 -22.0 15.1 16 16 A Q < - 0 0 97 -3,-1.6 20,-0.2 21,-0.1 21,-0.1 -0.230 39.7-156.2 -69.1 161.6 -7.1 -24.2 15.0 17 17 A N >> - 0 0 56 18,-2.8 3,-1.6 1,-0.1 4,-1.5 -0.783 8.2-165.7-148.2 93.6 -6.7 -26.9 12.4 18 18 A P H 3> S+ 0 0 95 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.748 88.5 61.6 -54.6 -30.4 -4.5 -29.9 13.2 19 19 A E H 34 S+ 0 0 105 1,-0.2 17,-0.1 2,-0.2 -2,-0.0 0.798 111.0 37.8 -69.6 -29.9 -4.4 -31.0 9.5 20 20 A K H <> S+ 0 0 70 -3,-1.6 4,-1.7 15,-0.2 16,-0.2 0.679 105.9 70.1 -90.2 -21.4 -2.7 -27.7 8.5 21 21 A A H X S+ 0 0 14 -4,-1.5 4,-2.4 14,-0.3 15,-0.2 0.861 92.0 57.9 -63.5 -38.7 -0.5 -27.6 11.6 22 22 A E H X S+ 0 0 103 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.948 110.4 38.1 -62.9 -53.0 1.7 -30.5 10.6 23 23 A P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.882 116.3 53.3 -67.3 -38.0 3.0 -29.2 7.3 24 24 A M H X S+ 0 0 40 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.925 111.3 46.7 -60.2 -43.2 3.3 -25.6 8.6 25 25 A A H <>S+ 0 0 6 -4,-2.4 5,-2.6 1,-0.2 3,-0.4 0.864 110.6 51.8 -67.8 -35.7 5.4 -26.9 11.5 26 26 A R H ><5S+ 0 0 154 -4,-2.0 3,-2.4 1,-0.2 -1,-0.2 0.865 98.9 64.4 -70.6 -34.9 7.6 -29.0 9.2 27 27 A Y H 3<5S+ 0 0 158 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 105.4 46.7 -54.3 -34.1 8.3 -26.1 7.0 28 28 A M T ><5S- 0 0 14 -4,-0.9 3,-1.7 -3,-0.4 -1,-0.3 0.039 122.8-107.2 -97.9 24.7 10.0 -24.5 10.0 29 29 A K T < 5 - 0 0 149 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.783 64.2 -73.1 57.9 28.2 11.9 -27.7 10.8 30 30 A N T 3 - 0 0 83 -2,-0.6 4,-3.0 4,-0.0 5,-0.2 -0.187 34.9 -85.6 -82.1 177.3 -2.8 -19.7 7.5 39 39 A T H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.854 119.8 47.5 -59.6 -49.6 -2.6 -16.0 6.6 40 40 A P H > S+ 0 0 92 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.949 119.4 41.2 -60.0 -46.5 -6.1 -15.1 5.4 41 41 A E H > S+ 0 0 66 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.939 113.6 53.9 -63.3 -46.1 -7.8 -16.8 8.4 42 42 A R H X S+ 0 0 23 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.885 111.7 44.1 -57.4 -42.8 -5.2 -15.4 10.8 43 43 A R H X S+ 0 0 141 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.875 113.2 51.2 -71.9 -35.9 -5.7 -11.8 9.7 44 44 A Q H X S+ 0 0 92 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.930 110.3 49.3 -63.7 -44.4 -9.5 -12.3 9.7 45 45 A L H X S+ 0 0 11 -4,-3.1 4,-1.7 2,-0.2 -2,-0.2 0.900 112.4 47.8 -62.4 -42.2 -9.4 -13.7 13.3 46 46 A L H X S+ 0 0 3 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.929 110.6 52.7 -59.1 -47.7 -7.2 -10.7 14.3 47 47 A K H X S+ 0 0 67 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.892 105.6 54.6 -54.5 -43.1 -9.7 -8.4 12.5 48 48 A D H X S+ 0 0 45 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.930 109.0 46.9 -57.1 -47.7 -12.5 -10.0 14.5 49 49 A I H X S+ 0 0 8 -4,-1.7 4,-2.8 1,-0.2 5,-0.4 0.849 111.2 52.2 -67.4 -34.0 -10.8 -9.3 17.8 50 50 A I H X S+ 0 0 33 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.881 105.2 55.0 -68.6 -38.7 -10.1 -5.7 16.7 51 51 A Q H < S+ 0 0 124 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.859 116.9 38.3 -60.1 -33.4 -13.8 -5.1 15.8 52 52 A I H < S+ 0 0 126 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.913 132.7 20.8 -86.8 -46.9 -14.7 -6.2 19.3 53 53 A H H < S- 0 0 74 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.580 100.2-134.6 -97.5 -13.3 -12.0 -4.7 21.5 54 54 A T < - 0 0 94 -4,-2.0 -3,-0.1 -5,-0.4 -2,-0.1 0.256 44.0 -55.8 62.6 158.7 -10.8 -2.0 19.1 55 55 A L - 0 0 64 1,-0.1 3,-0.1 -5,-0.1 -5,-0.0 -0.502 66.6-114.7 -70.4 128.8 -7.1 -1.5 18.5 56 56 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.086 40.9 -79.4 -61.4 160.4 -5.3 -0.8 21.8 57 57 A D >> - 0 0 100 1,-0.1 3,-2.6 2,-0.1 4,-0.6 -0.282 39.4-115.8 -61.9 148.0 -3.6 2.5 22.5 58 58 A Q G >4 S+ 0 0 73 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.745 114.9 64.1 -58.2 -24.5 -0.2 3.0 21.0 59 59 A K G 34 S+ 0 0 163 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.524 104.8 46.9 -78.7 -3.0 1.3 3.2 24.5 60 60 A D G X> S+ 0 0 58 -3,-2.6 4,-1.9 2,-0.1 3,-0.6 0.519 82.6 96.4-107.3 -10.9 0.2 -0.4 25.0 61 61 A F H S+ 0 0 67 -4,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.882 108.0 50.9 -68.8 -39.4 4.8 -3.2 23.1 63 63 A I H <> S+ 0 0 85 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.927 111.8 48.3 -61.8 -43.7 3.2 -5.1 26.0 64 64 A I H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.908 112.2 48.3 -65.0 -41.6 0.8 -6.7 23.5 65 65 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.901 112.1 49.3 -66.2 -40.5 3.6 -7.7 21.2 66 66 A R H X S+ 0 0 89 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.853 110.5 50.0 -65.7 -36.8 5.7 -9.1 24.0 67 67 A E H X S+ 0 0 38 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.884 112.2 47.8 -71.2 -36.1 2.8 -11.2 25.4 68 68 A L H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.864 108.0 55.7 -68.5 -37.4 2.1 -12.6 21.9 69 69 A W H 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 104.1 55.3 -65.0 -28.8 5.8 -13.4 21.5 70 70 A D H 3< S+ 0 0 117 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.646 84.6 101.1 -81.6 -16.1 5.7 -15.4 24.7 71 71 A L S << S- 0 0 21 -3,-0.8 6,-0.1 -4,-0.6 5,-0.1 -0.484 76.0-127.9 -74.0 142.1 2.8 -17.7 23.6 72 72 A P S S+ 0 0 68 0, 0.0 -39,-0.6 0, 0.0 2,-0.2 0.840 81.1 81.8 -58.9 -45.5 3.9 -21.2 22.3 73 73 A E B >> S-a 33 0A 44 1,-0.1 3,-1.7 -41,-0.1 4,-0.5 -0.462 75.9-133.4 -78.6 139.1 2.2 -21.3 18.9 74 74 A R H >> S+ 0 0 4 -41,-2.7 4,-1.9 1,-0.3 3,-1.1 0.790 98.4 68.5 -62.1 -34.8 3.9 -19.6 16.0 75 75 A E H 3> S+ 0 0 2 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.769 91.6 63.1 -57.7 -26.1 0.8 -17.9 14.6 76 76 A F H <> S+ 0 0 0 -3,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.876 105.0 44.8 -68.3 -34.8 0.8 -15.7 17.7 77 77 A Q H < S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.901 104.5 55.8 -64.7 -38.0 3.3 -4.2 14.6 85 85 A Q H >< S+ 0 0 92 -4,-2.1 3,-1.3 1,-0.2 -1,-0.3 0.882 103.5 55.2 -58.2 -37.6 2.6 -3.3 11.0 86 86 A K H 3< S+ 0 0 116 -4,-1.3 3,-0.3 -3,-0.3 -1,-0.2 0.795 112.0 42.9 -66.9 -26.7 -0.6 -1.5 12.1 87 87 A Y T X< S+ 0 0 9 -4,-1.2 3,-2.7 -3,-0.6 4,-0.4 0.220 79.4 122.4 -99.6 10.8 1.4 0.6 14.5 88 88 A K G X + 0 0 81 -3,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.799 67.0 58.2 -45.3 -39.6 4.1 1.2 11.9 89 89 A K G 3 S+ 0 0 203 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.710 105.3 50.3 -69.9 -18.1 3.8 5.0 12.1 90 90 A H G < S+ 0 0 90 -3,-2.7 2,-0.5 2,-0.1 -1,-0.3 0.365 88.3 99.1-100.3 1.6 4.5 5.0 15.8 91 91 A I < + 0 0 20 -3,-1.4 2,-0.2 -4,-0.4 -7,-0.0 -0.809 49.3 146.7 -93.2 126.3 7.7 2.9 15.5 92 92 A N > - 0 0 57 -2,-0.5 3,-1.9 34,-0.0 4,-0.1 -0.650 62.6 -62.4-141.6-163.1 10.9 4.9 15.6 93 93 A E G > S+ 0 0 68 1,-0.3 3,-1.4 -2,-0.2 -2,-0.0 0.761 122.2 66.1 -66.9 -24.8 14.5 4.8 16.6 94 94 A T G 3 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.665 97.2 59.1 -68.0 -12.6 13.6 4.6 20.3 95 95 A H G <> S+ 0 0 16 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.389 72.4 98.6 -97.1 1.4 12.2 1.1 19.5 96 96 A I H <> S+ 0 0 1 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.936 84.0 50.0 -55.6 -47.0 15.4 -0.4 18.1 97 97 A P H > S+ 0 0 55 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.903 109.9 51.2 -58.2 -42.2 16.2 -2.2 21.4 98 98 A F H > S+ 0 0 7 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.920 111.5 48.1 -57.6 -44.9 12.6 -3.6 21.5 99 99 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.880 106.9 55.8 -66.5 -38.2 13.1 -4.9 17.9 100 100 A E H X S+ 0 0 29 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.897 106.6 52.0 -56.4 -42.9 16.5 -6.4 18.9 101 101 A E H X S+ 0 0 83 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.912 108.7 48.9 -60.7 -45.6 14.7 -8.3 21.6 102 102 A L H >< S+ 0 0 5 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.881 109.9 54.0 -60.5 -37.7 12.1 -9.7 19.1 103 103 A I H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.7 40.9 -66.0 -36.2 14.9 -10.7 16.8 104 104 A V H 3< S+ 0 0 54 -4,-1.7 2,-0.4 -5,-0.1 3,-0.3 0.417 104.8 75.2 -98.5 3.6 16.8 -12.7 19.4 105 105 A T S << S- 0 0 58 -4,-0.7 3,-0.2 -3,-0.6 -35,-0.0 -0.938 111.9 -2.5-117.9 138.6 13.7 -14.4 21.0 106 106 A K S S- 0 0 65 -2,-0.4 -1,-0.2 1,-0.2 2,-0.2 0.905 97.9-166.3 48.7 46.2 11.8 -17.2 19.4 107 107 A S + 0 0 24 -3,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.401 28.2 127.4 -77.7 135.2 14.2 -16.7 16.5 108 108 A W > - 0 0 32 -2,-0.2 4,-2.1 -3,-0.2 3,-0.4 -0.940 68.5 -91.8-165.7 173.2 13.9 -18.1 13.0 109 109 A W H > S+ 0 0 67 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 0.841 117.6 61.7 -62.8 -32.4 14.0 -16.8 9.5 110 110 A D H 4 S+ 0 0 28 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.906 113.5 31.6 -65.3 -41.9 10.2 -16.2 9.3 111 111 A S H >> S+ 0 0 2 -3,-0.4 4,-0.8 -5,-0.2 3,-0.6 0.934 120.6 49.9 -79.7 -48.4 10.1 -13.7 12.2 112 112 A V H >X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.3 3,-1.0 0.914 110.2 49.3 -59.1 -45.3 13.5 -12.1 11.7 113 113 A D H 3< S+ 0 0 23 -4,-2.3 -1,-0.3 -5,-0.3 5,-0.3 0.756 108.5 56.0 -66.8 -22.1 13.0 -11.4 8.0 114 114 A S H <4 S+ 0 0 59 -3,-0.6 5,-0.3 -4,-0.5 -1,-0.2 0.631 114.8 38.5 -80.8 -14.3 9.6 -9.9 8.8 115 115 A I H S+ 0 0 0 -3,-1.0 5,-1.4 -4,-0.8 4,-0.7 0.810 112.5 53.1 -99.0 -39.9 11.2 -7.4 11.2 116 116 A V T <>S+ 0 0 0 -4,-2.4 5,-1.9 3,-0.2 4,-0.3 0.968 105.3 37.2 -76.6 -62.4 14.5 -6.5 9.5 117 117 A P T 45S+ 0 0 11 0, 0.0 39,-0.2 0, 0.0 -1,-0.2 0.758 127.2 36.5 -67.8 -21.9 14.2 -5.2 5.9 118 118 A T T >5S+ 0 0 58 -5,-0.3 4,-2.1 3,-0.2 5,-0.2 0.914 127.7 24.0 -90.1 -72.7 10.9 -3.4 6.6 119 119 A F H X5S+ 0 0 11 -4,-0.7 4,-2.0 -5,-0.3 -3,-0.2 0.952 132.6 35.8 -64.0 -53.6 11.0 -1.9 10.1 120 120 A L H >< + 0 0 34 -4,-2.0 3,-2.3 -5,-0.2 4,-0.3 -0.562 66.5 168.1-131.1 66.6 18.3 7.9 11.2 128 128 A P G > S+ 0 0 82 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.755 71.7 66.5 -55.2 -30.6 21.5 7.4 9.2 129 129 A E G 3 S+ 0 0 121 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.651 91.6 63.6 -68.7 -14.6 23.7 8.2 12.3 130 130 A L G X> S+ 0 0 34 -3,-2.3 4,-1.0 1,-0.2 3,-0.8 0.663 77.6 84.1 -86.2 -15.4 22.5 5.1 14.1 131 131 A I H X> S+ 0 0 37 -3,-1.2 4,-2.6 -4,-0.3 3,-0.8 0.902 92.6 47.1 -52.2 -45.1 23.9 2.6 11.7 132 132 A S H 34 S+ 0 0 93 -4,-0.4 -1,-0.3 -3,-0.3 5,-0.2 0.721 107.9 57.5 -72.6 -20.5 27.3 2.7 13.4 133 133 A A H <4 S+ 0 0 56 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.676 124.0 18.5 -78.7 -18.5 25.7 2.4 16.8 134 134 A Y H S+ 0 0 54 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.903 114.8 51.6 -57.3 -36.9 29.1 -3.3 14.0 137 137 A K H > S+ 0 0 104 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.916 109.8 47.7 -64.4 -43.9 27.5 -4.4 17.3 138 138 A W H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 5,-0.4 0.919 111.5 50.7 -64.5 -41.7 25.2 -6.9 15.6 139 139 A I H >< S+ 0 0 16 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.910 113.9 44.2 -61.0 -42.3 28.1 -8.3 13.5 140 140 A A H 3< S+ 0 0 70 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.514 93.6 83.3 -81.8 -6.1 30.3 -8.8 16.5 141 141 A S T << S- 0 0 46 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.1 0.720 82.8-141.3 -74.3 -22.0 27.5 -10.3 18.7 142 142 A D < + 0 0 133 -3,-0.7 2,-0.7 -4,-0.4 -1,-0.1 0.702 62.2 129.5 59.8 15.9 27.8 -13.9 17.4 143 143 A N >> - 0 0 51 -5,-0.4 4,-2.2 1,-0.1 3,-0.5 -0.937 55.1-149.8 -91.4 115.0 24.1 -14.0 17.6 144 144 A I H 3> S+ 0 0 34 -2,-0.7 4,-1.9 1,-0.2 -1,-0.1 0.715 91.5 55.4 -64.6 -20.1 23.3 -15.3 14.1 145 145 A W H 3> S+ 0 0 21 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.850 108.8 45.7 -83.8 -34.0 20.0 -13.5 13.9 146 146 A L H <> S+ 0 0 20 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.864 113.2 52.0 -68.5 -36.9 21.5 -10.1 14.7 147 147 A Q H X S+ 0 0 13 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.918 109.0 49.1 -65.4 -40.6 24.2 -10.9 12.2 148 148 A R H X S+ 0 0 13 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.895 107.9 56.4 -63.0 -36.6 21.4 -11.7 9.7 149 149 A A H X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.883 104.2 51.6 -61.7 -38.6 19.8 -8.4 10.6 150 150 A A H < S+ 0 0 0 -4,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.873 113.3 45.5 -68.5 -34.6 23.0 -6.5 9.7 151 151 A I H < S+ 0 0 0 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.888 118.7 39.7 -71.2 -39.8 23.1 -8.2 6.3 152 152 A L H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 4,-0.3 0.501 82.6 93.7 -96.7 -5.4 19.4 -7.8 5.4 153 153 A F T 3< S+ 0 0 1 -4,-1.3 3,-0.3 1,-0.3 -1,-0.2 0.825 95.1 42.9 -61.6 -25.4 18.5 -4.3 6.6 154 154 A Q T > S+ 0 0 2 -3,-0.4 3,-2.2 -4,-0.2 4,-0.3 0.292 81.1 114.4 -97.6 8.4 19.3 -2.9 3.1 155 155 A L T < S+ 0 0 5 -3,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.829 82.4 36.2 -51.4 -43.0 17.6 -5.7 1.3 156 156 A K T 3 S+ 0 0 103 -3,-0.3 -1,-0.3 -4,-0.3 4,-0.1 0.313 88.0 103.0 -94.0 9.4 14.8 -3.6 -0.2 157 157 A Y X + 0 0 22 -3,-2.2 3,-2.8 1,-0.2 -1,-0.2 0.757 47.0 169.8 -67.4 -25.3 16.9 -0.5 -0.8 158 158 A K G > S+ 0 0 118 -3,-0.4 3,-1.9 -4,-0.3 -1,-0.2 -0.300 77.1 8.5 45.4-113.5 17.3 -1.0 -4.5 159 159 A Q G 3 S+ 0 0 167 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.629 127.7 64.3 -72.9 -8.6 18.9 2.2 -5.8 160 160 A K G < S+ 0 0 146 -3,-2.8 -1,-0.3 -4,-0.1 -2,-0.2 0.461 73.4 131.0 -88.6 -2.0 19.4 3.4 -2.3 161 161 A M < - 0 0 15 -3,-1.9 2,-1.2 1,-0.1 3,-0.1 -0.292 56.6-141.8 -57.2 126.9 21.9 0.6 -1.5 162 162 A D > - 0 0 73 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.781 20.8-171.3 -86.1 91.1 25.1 1.7 0.1 163 163 A E H > S+ 0 0 61 -2,-1.2 4,-2.8 1,-0.2 5,-0.3 0.882 79.7 51.8 -55.6 -44.9 27.3 -0.7 -1.8 164 164 A E H > S+ 0 0 166 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 113.6 45.1 -61.2 -42.3 30.5 0.1 0.2 165 165 A L H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 112.6 51.8 -64.8 -43.2 28.6 -0.5 3.4 166 166 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.926 112.1 44.8 -58.2 -47.8 27.0 -3.7 2.0 167 167 A F H X S+ 0 0 39 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.843 111.4 54.1 -71.9 -31.3 30.3 -5.2 0.9 168 168 A W H X S+ 0 0 106 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.928 109.9 46.6 -61.6 -47.2 31.9 -4.2 4.2 169 169 A I H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 3,-0.2 0.934 114.3 47.6 -63.5 -46.5 29.2 -6.1 6.2 170 170 A I H >X S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 4,-0.9 0.927 108.8 54.0 -59.0 -45.7 29.5 -9.1 3.9 171 171 A G H 3< S+ 0 0 27 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.821 105.3 55.1 -58.7 -31.5 33.2 -9.2 4.2 172 172 A Q H 3< S+ 0 0 108 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.778 119.2 31.8 -72.1 -25.4 32.9 -9.2 8.0 173 173 A L H X< S+ 0 0 10 -3,-1.0 3,-2.0 -4,-0.9 -2,-0.2 0.329 84.4 108.0-115.2 6.1 30.7 -12.3 7.9 174 174 A H T 3< S+ 0 0 51 -4,-0.9 36,-0.3 -3,-0.3 -1,-0.1 0.719 81.4 49.8 -62.7 -21.9 32.1 -14.1 4.8 175 175 A S T 3 S+ 0 0 84 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.390 79.6 128.9 -97.2 1.6 33.8 -16.8 6.9 176 176 A S < - 0 0 24 -3,-2.0 34,-0.1 1,-0.2 -3,-0.1 -0.322 48.8-155.2 -60.2 139.1 30.7 -17.6 9.0 177 177 A K + 0 0 192 4,-0.0 2,-0.4 5,-0.0 -1,-0.2 0.416 57.4 117.4 -92.5 0.4 29.9 -21.3 9.1 178 178 A E >> - 0 0 87 1,-0.1 4,-2.3 2,-0.0 3,-1.0 -0.579 62.0-143.8 -79.0 125.6 26.2 -20.6 9.8 179 179 A F H 3> S+ 0 0 106 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.888 100.0 49.9 -47.1 -50.7 23.7 -21.7 7.3 180 180 A F H 3> S+ 0 0 30 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.676 110.4 50.8 -74.7 -15.7 21.4 -18.7 7.7 181 181 A I H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.876 110.3 47.6 -79.6 -46.9 24.3 -16.3 7.4 182 182 A Q H X S+ 0 0 34 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.892 115.4 48.1 -59.7 -38.4 25.5 -17.8 4.1 183 183 A K H X S+ 0 0 57 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.898 109.2 51.4 -65.3 -43.2 21.9 -17.8 3.0 184 184 A A H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.898 110.4 50.2 -64.3 -38.4 21.4 -14.1 4.0 185 185 A I H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.929 112.3 46.4 -64.6 -44.7 24.6 -13.1 2.1 186 186 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.869 113.1 51.0 -64.5 -35.4 23.4 -15.0 -1.0 187 187 A W H X S+ 0 0 56 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.948 109.5 46.4 -70.2 -49.5 19.9 -13.4 -0.7 188 188 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.900 116.0 47.0 -62.6 -38.8 21.0 -9.8 -0.4 189 189 A L H X S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.895 113.2 47.8 -68.4 -43.0 23.4 -10.2 -3.3 190 190 A R H < S+ 0 0 41 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.919 115.9 45.3 -61.6 -44.9 20.8 -12.0 -5.4 191 191 A E H >< S+ 0 0 28 -4,-3.3 3,-1.4 1,-0.2 4,-0.3 0.928 112.1 49.8 -67.0 -44.3 18.2 -9.3 -4.6 192 192 A Y H >X S+ 0 0 14 -4,-3.0 4,-2.6 1,-0.3 3,-1.8 0.813 99.4 68.7 -64.6 -26.1 20.6 -6.4 -5.2 193 193 A A T 3< S+ 0 0 5 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.712 85.3 68.3 -66.0 -21.0 21.5 -8.0 -8.6 194 194 A K T <4 S+ 0 0 136 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.691 113.9 30.5 -67.9 -17.8 18.1 -7.1 -9.8 195 195 A T T <4 S+ 0 0 43 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.1 0.783 141.2 12.3-104.9 -44.4 19.3 -3.5 -9.6 196 196 A N X + 0 0 41 -4,-2.6 4,-1.3 1,-0.1 3,-0.2 -0.614 64.3 165.0-139.3 73.9 23.0 -3.8 -10.3 197 197 A P H > S+ 0 0 42 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.843 72.9 61.2 -62.2 -35.9 23.9 -7.2 -11.6 198 198 A D H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.926 105.3 45.4 -59.3 -48.1 27.4 -6.2 -12.9 199 199 A V H > S+ 0 0 36 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.828 114.2 49.3 -67.2 -31.8 28.7 -5.2 -9.5 200 200 A V H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.925 109.7 51.2 -72.4 -43.1 27.3 -8.4 -7.8 201 201 A W H X S+ 0 0 55 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.937 113.4 45.5 -57.4 -47.0 28.8 -10.6 -10.5 202 202 A E H X S+ 0 0 63 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.922 111.9 51.2 -63.1 -44.8 32.2 -9.0 -10.0 203 203 A Y H X S+ 0 0 22 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.937 111.9 46.7 -60.7 -46.2 32.0 -9.2 -6.2 204 204 A V H < S+ 0 0 2 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.900 114.3 47.3 -62.9 -41.6 31.1 -12.9 -6.3 205 205 A Q H < S+ 0 0 103 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.813 120.3 37.3 -66.8 -30.5 33.8 -13.8 -8.8 206 206 A N H < S+ 0 0 116 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 0.369 107.1 62.9-112.7 4.8 36.5 -11.8 -7.0 207 207 A N S < S- 0 0 68 -4,-1.0 2,-0.3 -3,-0.4 -36,-0.0 -0.962 82.8 -99.5-135.0 151.7 35.9 -12.3 -3.2 208 208 A E + 0 0 122 -2,-0.3 2,-0.3 -37,-0.0 -2,-0.1 -0.489 52.9 146.4 -72.0 129.2 35.8 -15.2 -0.8 209 209 A L - 0 0 13 -2,-0.3 -34,-0.1 -5,-0.1 -35,-0.1 -0.963 54.8 -85.9-152.9 157.1 32.4 -16.5 0.1 210 210 A A > - 0 0 17 -36,-0.3 4,-2.2 -2,-0.3 3,-0.4 -0.424 40.6-118.1 -61.5 143.4 31.0 -19.9 0.9 211 211 A P H > S+ 0 0 115 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.869 117.0 58.9 -49.6 -39.1 30.1 -21.9 -2.2 212 212 A L H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.918 106.0 47.3 -55.1 -47.6 26.5 -21.8 -0.9 213 213 A S H > S+ 0 0 1 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.922 111.1 50.6 -63.5 -43.5 26.5 -18.1 -0.9 214 214 A K H X S+ 0 0 61 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.930 111.1 49.0 -61.5 -44.3 28.0 -17.9 -4.4 215 215 A R H X S+ 0 0 145 -4,-2.7 4,-0.7 1,-0.2 3,-0.2 0.942 113.5 45.7 -60.4 -48.9 25.4 -20.2 -5.7 216 216 A E H >< S+ 0 0 10 -4,-2.4 3,-0.7 1,-0.2 4,-0.3 0.906 110.2 56.0 -59.9 -41.8 22.4 -18.3 -4.1 217 217 A A H 3< S+ 0 0 2 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.862 116.0 32.1 -62.2 -38.0 23.8 -15.0 -5.3 218 218 A I H >X S+ 0 0 27 -4,-1.6 4,-2.4 -3,-0.2 3,-0.6 0.354 79.4 112.6-107.8 8.9 24.0 -15.7 -9.0 219 219 A K T << S+ 0 0 99 -4,-0.7 -1,-0.2 -3,-0.7 4,-0.2 0.783 89.4 33.5 -57.5 -30.3 21.1 -18.1 -9.5 220 220 A H T 34 S+ 0 0 114 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.646 123.7 41.5 -97.5 -17.4 19.1 -15.6 -11.6 221 221 A I T X4 S+ 0 0 13 -3,-0.6 3,-2.9 -4,-0.1 4,-0.3 0.616 85.1 87.8-106.0 -14.1 22.0 -13.8 -13.4 222 222 A K G >< S+ 0 0 125 -4,-2.4 3,-1.5 1,-0.3 -1,-0.1 0.822 80.5 67.9 -58.4 -27.9 24.4 -16.5 -14.4 223 223 A Q G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.572 99.7 52.0 -64.6 -8.3 22.4 -17.0 -17.6 224 224 A N G < 0 0 117 -3,-2.9 -1,-0.3 0, 0.0 -2,-0.2 0.443 360.0 360.0-109.1 -1.5 23.7 -13.5 -18.6 225 225 A Y < 0 0 110 -3,-1.5 -3,-0.0 -4,-0.3 0, 0.0 -0.297 360.0 360.0-129.6 360.0 27.5 -14.1 -18.1