==== 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 3JXY . COMPND 2 MOLECULE: ALKYLPURINE DNA GLYCOSYLASE ALKD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR E.H.RUBINSON,B.F.EICHMAN . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 68.8 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 . 115 49.8 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 2 0 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 47 0, 0.0 6,-0.1 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0 78.1 -8.4 24.0 18.6 2 1 A M + 0 0 170 4,-0.1 5,-0.1 5,-0.0 0, 0.0 0.987 360.0 79.4 -62.7 -57.2 -9.6 27.1 16.8 3 2 A H S > S- 0 0 33 1,-0.1 4,-2.6 61,-0.1 3,-0.4 -0.219 83.0-134.9 -61.6 132.1 -12.5 25.2 15.2 4 3 A P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.804 104.7 54.9 -58.1 -31.4 -15.4 24.7 17.6 5 4 A F H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.918 111.0 44.8 -67.4 -42.1 -15.8 21.0 16.6 6 5 A V H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.908 112.5 51.4 -68.3 -41.2 -12.1 20.4 17.4 7 6 A K H X S+ 0 0 76 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.915 110.2 49.9 -62.0 -41.0 -12.4 22.3 20.7 8 7 A A H X S+ 0 0 13 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.904 111.7 48.1 -64.7 -40.1 -15.4 20.3 21.7 9 8 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.925 111.0 50.9 -65.4 -43.9 -13.6 17.0 20.9 10 9 A Q H X S+ 0 0 41 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.935 113.1 45.4 -58.9 -47.0 -10.5 18.2 22.9 11 10 A E H X S+ 0 0 125 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.926 114.9 46.9 -63.0 -44.9 -12.6 19.0 25.9 12 11 A H H < S+ 0 0 45 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.904 114.9 45.6 -68.7 -42.7 -14.7 15.8 25.8 13 12 A F H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.932 112.0 51.8 -62.0 -48.3 -11.6 13.5 25.3 14 13 A T H >< S+ 0 0 53 -4,-2.4 3,-1.6 -5,-0.3 -2,-0.2 0.870 102.2 59.9 -60.4 -36.2 -9.7 15.3 28.0 15 14 A A T 3< S+ 0 0 78 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.661 110.8 42.6 -66.0 -15.4 -12.6 14.9 30.5 16 15 A H T < S+ 0 0 83 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.079 84.4 140.8-118.4 23.0 -12.3 11.1 30.0 17 16 A Q < - 0 0 98 -3,-1.6 20,-0.2 21,-0.1 19,-0.1 -0.252 37.4-156.3 -66.9 154.0 -8.5 10.8 30.1 18 17 A N > - 0 0 50 18,-2.5 4,-2.3 1,-0.1 3,-0.3 -0.833 10.0-175.8-136.0 92.7 -6.8 7.9 31.9 19 18 A P H > S+ 0 0 82 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.801 84.8 59.7 -63.2 -29.2 -3.3 8.6 33.1 20 19 A E H 4 S+ 0 0 147 1,-0.2 3,-0.3 2,-0.2 17,-0.1 0.925 113.1 36.6 -64.4 -45.3 -2.8 5.0 34.3 21 20 A K H > S+ 0 0 91 -3,-0.3 4,-2.1 1,-0.2 16,-0.2 0.795 106.3 69.5 -74.6 -30.1 -3.5 3.6 30.8 22 21 A A H X S+ 0 0 15 -4,-2.3 4,-2.5 14,-0.3 5,-0.2 0.841 92.5 60.1 -59.3 -33.0 -1.7 6.5 29.1 23 22 A E H X S+ 0 0 57 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.966 110.4 36.1 -63.2 -57.1 1.7 5.2 30.4 24 23 A P H > S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.858 116.2 56.4 -64.7 -33.7 1.7 1.8 28.8 25 24 A M H X S+ 0 0 38 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.917 109.5 45.2 -64.6 -40.7 -0.0 3.2 25.7 26 25 A A H <>S+ 0 0 10 -4,-2.5 5,-2.7 1,-0.2 3,-0.5 0.893 110.8 53.8 -67.8 -38.5 2.8 5.7 25.2 27 26 A R H ><5S+ 0 0 158 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.844 100.8 60.8 -63.8 -34.7 5.4 3.0 25.9 28 27 A Y H 3<5S+ 0 0 161 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.834 105.5 47.8 -63.1 -33.4 3.9 0.8 23.2 29 28 A M T ><5S- 0 0 16 -4,-1.0 3,-1.6 -3,-0.5 -1,-0.3 0.028 124.0-106.1 -95.0 26.0 4.6 3.6 20.6 30 29 A K T < 5 - 0 0 150 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.798 63.7 -72.6 57.0 32.2 8.2 3.9 22.0 31 30 A N T 3 - 0 0 96 -2,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.280 30.4 -93.4 -82.4 169.6 -8.6 3.2 23.9 40 39 A T H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.849 115.7 52.3 -57.7 -47.3 -10.4 2.8 20.5 41 40 A P H > S+ 0 0 106 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.952 118.4 37.4 -57.1 -48.9 -14.0 1.7 21.5 42 41 A E H > S+ 0 0 89 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 113.5 57.4 -67.3 -40.0 -14.4 4.6 24.0 43 42 A R H X S+ 0 0 15 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.904 107.8 47.9 -58.4 -40.5 -12.5 7.0 21.7 44 43 A R H X S+ 0 0 136 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.876 111.4 50.2 -68.6 -36.6 -15.0 6.3 18.9 45 44 A Q H X S+ 0 0 88 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.906 108.2 52.7 -65.9 -41.0 -18.0 6.8 21.2 46 45 A L H X S+ 0 0 6 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.911 110.5 47.7 -62.9 -41.1 -16.6 10.1 22.4 47 46 A L H X S+ 0 0 5 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.931 110.4 52.6 -60.9 -45.8 -16.3 11.3 18.8 48 47 A K H X S+ 0 0 112 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.880 104.5 56.2 -58.0 -39.9 -19.8 10.1 18.1 49 48 A D H X S+ 0 0 39 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.913 109.4 46.1 -56.3 -45.3 -21.1 12.1 21.1 50 49 A I H X S+ 0 0 7 -4,-1.6 4,-2.8 2,-0.2 5,-0.5 0.888 111.2 51.0 -71.2 -38.6 -19.6 15.3 19.6 51 50 A I H X S+ 0 0 37 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.911 109.7 51.7 -61.3 -41.5 -21.0 14.5 16.1 52 51 A Q H < S+ 0 0 126 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.899 117.0 38.4 -63.3 -40.8 -24.5 14.0 17.7 53 52 A I H < S+ 0 0 120 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.912 134.0 19.5 -75.7 -44.7 -24.4 17.3 19.6 54 53 A H H < S- 0 0 87 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.655 99.7-127.6-103.4 -18.2 -22.7 19.5 17.0 55 54 A T < - 0 0 96 -4,-2.3 -3,-0.1 -5,-0.5 3,-0.1 0.184 42.2 -64.8 72.5 155.8 -23.2 17.7 13.7 56 55 A L - 0 0 54 1,-0.1 3,-0.1 -5,-0.1 -5,-0.0 -0.571 65.8-106.6 -70.9 130.2 -20.3 16.9 11.4 57 56 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.125 42.4 -84.0 -57.6 155.0 -18.8 20.1 10.0 58 57 A D > - 0 0 97 1,-0.1 3,-2.4 -3,-0.1 4,-0.2 -0.244 41.9-111.2 -53.0 146.8 -19.4 21.2 6.4 59 58 A Q G > S+ 0 0 103 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.735 113.6 74.9 -57.1 -25.0 -17.0 19.6 4.0 60 59 A K G 3 S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.771 100.4 44.9 -57.1 -24.3 -15.4 23.1 3.5 61 60 A D G <> S+ 0 0 32 -3,-2.4 4,-2.6 1,-0.1 -1,-0.3 0.378 84.1 102.7 -99.9 0.8 -13.8 22.5 6.9 62 61 A F H <> S+ 0 0 6 -3,-1.7 4,-2.1 1,-0.2 5,-0.2 0.940 85.0 38.9 -54.4 -59.2 -12.7 18.9 6.4 63 62 A Q H > S+ 0 0 69 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.866 115.1 55.5 -62.5 -36.3 -8.9 19.5 5.8 64 63 A I H > S+ 0 0 80 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 108.0 47.3 -61.4 -46.6 -8.9 22.3 8.4 65 64 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.893 111.4 51.3 -64.4 -40.5 -10.2 20.0 11.1 66 65 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.935 111.3 46.8 -61.9 -47.0 -7.8 17.2 10.2 67 66 A R H X S+ 0 0 111 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.893 110.5 52.0 -65.7 -38.9 -4.8 19.5 10.4 68 67 A E H < S+ 0 0 46 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.900 112.3 45.7 -65.2 -39.0 -5.9 21.0 13.7 69 68 A L H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.867 109.5 55.9 -68.4 -35.6 -6.3 17.5 15.3 70 69 A W H 3< S+ 0 0 5 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.838 104.7 54.7 -63.9 -31.2 -2.9 16.5 13.8 71 70 A D T 3< S+ 0 0 124 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.580 85.9 98.8 -81.1 -11.6 -1.3 19.5 15.6 72 71 A L S < S- 0 0 15 -3,-0.9 6,-0.1 -4,-0.5 5,-0.1 -0.510 76.6-127.7 -77.9 149.9 -2.6 18.5 19.0 73 72 A P S S+ 0 0 65 0, 0.0 -39,-0.6 0, 0.0 2,-0.2 0.867 80.3 82.7 -69.7 -40.1 -0.1 16.6 21.2 74 73 A E B >> S-a 34 0A 42 1,-0.1 3,-1.9 -41,-0.1 4,-0.6 -0.463 75.4-133.7 -79.0 138.9 -2.0 13.5 22.3 75 74 A R H >> S+ 0 0 5 -41,-2.6 4,-2.0 1,-0.3 3,-0.8 0.776 99.0 71.5 -62.4 -29.2 -2.0 10.6 19.9 76 75 A E H 3> S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.786 91.4 60.2 -57.0 -27.7 -5.8 10.0 20.3 77 76 A F H <> S+ 0 0 0 -3,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.852 104.6 46.9 -73.9 -30.9 -6.4 13.2 18.3 78 77 A Q H < S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.901 102.5 56.6 -56.5 -40.7 -11.4 11.5 7.4 86 85 A Q H >< S+ 0 0 102 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.852 101.2 57.3 -59.7 -34.3 -13.3 8.2 6.8 87 86 A K H 3< S+ 0 0 114 -4,-1.0 -1,-0.3 -3,-0.5 3,-0.2 0.722 109.5 44.5 -70.1 -20.1 -16.6 10.2 7.3 88 87 A Y T X< S+ 0 0 5 -3,-1.1 3,-2.6 -4,-0.9 4,-0.4 0.212 80.3 121.5-103.0 12.6 -15.6 12.5 4.5 89 88 A K G X + 0 0 47 -3,-1.3 3,-1.5 1,-0.3 -1,-0.1 0.788 65.5 58.0 -45.4 -43.6 -14.4 9.6 2.3 90 89 A K G 3 S+ 0 0 206 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.547 105.0 53.6 -73.5 -3.0 -16.8 10.3 -0.6 91 90 A H G < S+ 0 0 92 -3,-2.6 2,-0.4 2,-0.1 -1,-0.3 0.451 87.4 97.9-105.3 -4.9 -15.3 13.8 -0.9 92 91 A I < + 0 0 24 -3,-1.5 2,-0.2 -4,-0.4 -7,-0.0 -0.698 46.9 151.0 -91.5 134.4 -11.6 12.6 -1.2 93 92 A N > - 0 0 57 -2,-0.4 3,-2.1 0, 0.0 4,-0.1 -0.749 60.8 -64.4-145.9-168.6 -10.1 12.3 -4.6 94 93 A E G > S+ 0 0 68 1,-0.3 3,-1.6 -2,-0.2 -2,-0.0 0.758 121.3 67.6 -60.5 -25.8 -6.8 12.4 -6.5 95 94 A T G 3 S+ 0 0 96 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.659 92.3 64.1 -68.9 -12.7 -6.4 16.1 -5.7 96 95 A H G <> S+ 0 0 17 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.398 70.2 99.6 -90.1 2.0 -5.9 15.1 -2.1 97 96 A I H <> S+ 0 0 0 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.943 84.1 46.2 -56.9 -49.5 -2.7 13.2 -2.6 98 97 A P H > S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.905 111.7 53.1 -59.3 -39.4 -0.3 16.0 -1.5 99 98 A F H > S+ 0 0 31 -4,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.907 111.6 45.8 -58.5 -42.5 -2.6 16.5 1.6 100 99 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.883 108.8 55.9 -71.2 -37.4 -2.3 12.8 2.4 101 100 A E H X S+ 0 0 26 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.899 105.6 52.2 -55.8 -46.1 1.5 12.9 1.8 102 101 A E H < S+ 0 0 87 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.872 107.8 51.3 -61.9 -37.4 1.8 15.7 4.4 103 102 A L H >< S+ 0 0 1 -4,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.886 107.9 53.8 -64.5 -38.3 -0.2 13.6 6.9 104 103 A I H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.895 111.7 43.4 -63.0 -40.4 2.2 10.7 6.3 105 104 A V T 3< S+ 0 0 42 -4,-1.8 2,-0.4 -5,-0.1 -1,-0.2 0.312 104.4 72.1 -96.0 9.6 5.3 12.7 7.0 106 105 A T S < S+ 0 0 46 -3,-0.8 3,-0.2 -4,-0.4 0, 0.0 -0.973 111.8 0.9-123.4 142.8 4.1 14.6 10.1 107 106 A K S S- 0 0 69 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.914 98.1-168.3 48.3 45.9 3.5 13.0 13.5 108 107 A S + 0 0 26 -3,-0.2 2,-0.3 4,-0.1 -1,-0.2 -0.458 26.5 127.0 -78.3 130.9 4.8 9.9 11.7 109 108 A W > - 0 0 35 -2,-0.3 4,-2.2 -3,-0.2 5,-0.3 -0.947 68.9 -89.8-162.1 177.0 4.7 6.3 13.1 110 109 A W H > S+ 0 0 68 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.821 118.7 58.8 -65.3 -30.1 3.4 2.9 12.0 111 110 A D H > S+ 0 0 32 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.952 113.2 34.7 -65.9 -49.3 -0.1 3.5 13.4 112 111 A S H > S+ 0 0 2 -5,-0.2 4,-1.0 2,-0.2 3,-0.4 0.932 118.7 50.9 -70.8 -44.9 -1.0 6.6 11.5 113 112 A V H >X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.8 0.912 109.4 50.1 -62.9 -42.5 0.9 5.6 8.3 114 113 A D H 3< S+ 0 0 31 -4,-2.2 -1,-0.2 -5,-0.3 5,-0.2 0.780 109.9 52.4 -64.6 -28.1 -0.8 2.2 8.1 115 114 A S H 3< S+ 0 0 60 -4,-0.9 5,-0.3 -3,-0.4 -1,-0.2 0.640 115.6 40.0 -83.6 -14.9 -4.2 3.9 8.6 116 115 A I H S+ 0 0 0 -4,-1.0 5,-1.6 -3,-0.8 4,-0.6 0.816 111.3 52.5 -95.1 -38.5 -3.6 6.3 5.7 117 116 A V T <>S+ 0 0 1 -4,-2.3 5,-2.1 3,-0.2 4,-0.2 0.968 105.7 36.9 -78.5 -61.7 -1.9 4.2 3.0 118 117 A P T 45S+ 0 0 9 0, 0.0 39,-0.3 0, 0.0 -1,-0.2 0.735 128.6 34.2 -68.9 -18.8 -3.7 1.0 2.0 119 118 A T T >5S+ 0 0 45 -5,-0.2 4,-2.5 3,-0.2 5,-0.2 0.886 127.1 25.2 -96.7 -72.5 -7.1 2.6 2.4 120 119 A F H X5S+ 0 0 6 -4,-0.6 4,-1.6 -5,-0.3 -3,-0.2 0.954 134.6 33.1 -64.6 -52.4 -7.1 6.3 1.4 121 120 A L H >< + 0 0 28 -4,-2.0 3,-2.0 -5,-0.2 4,-0.3 -0.543 63.7 159.0-131.5 66.6 -6.2 6.6 -11.0 129 128 A P G > S+ 0 0 73 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.762 70.9 70.9 -62.2 -23.5 -3.3 4.1 -11.7 130 129 A E G 3 S+ 0 0 126 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.643 92.5 57.8 -69.8 -14.1 -1.8 6.6 -14.1 131 130 A L G X S+ 0 0 46 -3,-2.0 3,-1.6 1,-0.2 4,-0.5 0.574 80.4 87.9 -90.8 -10.6 -0.8 8.9 -11.2 132 131 A I G X> S+ 0 0 18 -3,-1.3 4,-2.9 -4,-0.3 3,-1.8 0.919 86.1 52.3 -53.7 -46.1 1.2 6.2 -9.5 133 132 A S G 34 S+ 0 0 96 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.563 99.1 65.1 -72.8 -6.2 4.4 7.2 -11.4 134 133 A A G <4 S+ 0 0 63 -3,-1.6 -1,-0.3 3,-0.1 -2,-0.2 0.583 122.0 14.8 -83.2 -11.3 3.9 10.8 -10.4 135 134 A Y T <> S+ 0 0 41 -3,-1.8 4,-2.3 -4,-0.5 3,-0.2 0.687 110.3 68.4-128.7 -44.5 4.5 9.9 -6.7 136 135 A I H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.892 99.4 51.4 -59.9 -45.0 6.0 6.4 -6.2 137 136 A P H > S+ 0 0 62 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.917 112.7 47.3 -58.6 -41.0 9.5 7.1 -7.6 138 137 A K H > S+ 0 0 105 -3,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.905 110.0 52.9 -63.3 -42.9 9.8 10.3 -5.4 139 138 A W H < S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.911 111.1 46.0 -60.7 -43.2 8.7 8.4 -2.3 140 139 A I H < S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.884 114.1 48.4 -67.1 -37.7 11.3 5.6 -2.8 141 140 A A H < S+ 0 0 82 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.630 94.5 99.0 -78.8 -13.5 14.0 8.2 -3.5 142 141 A S S < S- 0 0 29 -4,-1.2 -3,-0.0 -3,-0.4 6,-0.0 -0.164 81.0-122.6 -72.2 167.5 13.2 10.3 -0.4 143 142 A D S S+ 0 0 167 4,-0.0 2,-0.6 5,-0.0 -1,-0.1 0.495 83.5 103.8 -80.9 -2.5 14.9 10.2 2.9 144 143 A N > - 0 0 46 -5,-0.2 4,-1.9 1,-0.2 3,-0.4 -0.711 55.5-163.5 -97.9 114.4 11.6 9.4 4.5 145 144 A I H > S+ 0 0 40 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.768 91.4 58.2 -66.4 -23.7 11.0 5.8 5.6 146 145 A W H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.862 105.9 47.5 -76.3 -34.9 7.2 6.4 5.9 147 146 A L H > S+ 0 0 19 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.880 112.5 51.1 -67.2 -37.6 7.0 7.5 2.3 148 147 A Q H X S+ 0 0 29 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.931 110.1 48.6 -63.5 -43.9 9.0 4.4 1.4 149 148 A R H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.870 108.0 55.9 -62.8 -35.9 6.6 2.3 3.5 150 149 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.900 103.9 53.2 -61.1 -42.2 3.7 4.0 1.6 151 150 A A H < S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.876 114.2 43.0 -61.1 -37.2 5.1 3.0 -1.7 152 151 A I H < S+ 0 0 1 -4,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.908 120.3 38.8 -72.9 -44.3 5.2 -0.7 -0.5 153 152 A L H >< S+ 0 0 1 -4,-2.6 3,-2.0 1,-0.2 4,-0.3 0.536 85.1 89.9 -93.2 -7.5 1.8 -0.8 1.2 154 153 A F T 3< S+ 0 0 0 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.825 95.4 44.7 -64.4 -25.2 -0.5 1.2 -1.0 155 154 A Q T > S+ 0 0 2 -3,-0.5 3,-2.2 -4,-0.3 4,-0.4 0.309 79.5 116.2 -93.4 7.7 -1.4 -2.0 -3.0 156 155 A L T < S+ 0 0 12 -3,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.822 83.0 33.3 -47.3 -43.9 -1.8 -4.1 0.2 157 156 A K T 3 S+ 0 0 117 -3,-0.3 -1,-0.3 -39,-0.3 4,-0.1 0.253 86.7 104.9-100.7 12.1 -5.5 -4.8 -0.4 158 157 A Y X + 0 0 16 -3,-2.2 3,-2.7 1,-0.2 -1,-0.2 0.762 47.5 171.3 -67.8 -25.4 -5.6 -4.9 -4.2 159 158 A K G > S+ 0 0 131 -3,-0.4 3,-2.1 -4,-0.4 -1,-0.2 -0.285 75.0 6.4 50.1-122.4 -5.8 -8.7 -4.4 160 159 A Q G 3 S+ 0 0 180 1,-0.3 -1,-0.3 36,-0.0 -2,-0.1 0.640 129.8 62.9 -65.7 -12.5 -6.5 -9.6 -8.0 161 160 A K G < S+ 0 0 144 -3,-2.7 -1,-0.3 -4,-0.1 -2,-0.2 0.402 75.8 129.6 -91.6 2.4 -6.0 -5.9 -9.0 162 161 A M < - 0 0 16 -3,-2.1 2,-1.0 -4,-0.1 3,-0.1 -0.312 60.1-136.0 -55.0 132.7 -2.4 -6.1 -7.8 163 162 A D > - 0 0 76 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.826 23.1-172.0 -88.6 98.7 0.2 -4.8 -10.3 164 163 A E H > S+ 0 0 60 -2,-1.0 4,-2.7 1,-0.2 5,-0.3 0.909 79.9 50.8 -62.8 -46.2 2.8 -7.5 -9.9 165 164 A E H > S+ 0 0 168 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 114.5 45.4 -57.6 -44.6 5.5 -5.9 -12.0 166 165 A L H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.931 111.7 51.9 -64.0 -46.9 5.1 -2.7 -10.0 167 166 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.935 113.2 43.8 -55.0 -49.2 5.0 -4.5 -6.6 168 167 A F H X S+ 0 0 37 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.830 111.8 53.7 -71.7 -30.1 8.2 -6.4 -7.4 169 168 A W H X S+ 0 0 119 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.944 110.3 47.1 -66.1 -45.9 10.0 -3.3 -8.8 170 169 A I H X S+ 0 0 0 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.939 113.2 48.2 -59.5 -48.0 9.2 -1.4 -5.6 171 170 A I H >X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-0.7 0.926 109.0 54.3 -60.5 -43.9 10.4 -4.2 -3.4 172 171 A G H 3< S+ 0 0 30 -4,-2.4 3,-0.4 1,-0.2 4,-0.3 0.881 106.1 52.2 -55.0 -41.2 13.6 -4.5 -5.5 173 172 A Q H 3< S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.803 121.2 32.6 -64.9 -27.8 14.3 -0.9 -4.9 174 173 A L H X< S+ 0 0 9 -4,-1.2 3,-1.8 -3,-0.7 -2,-0.2 0.402 85.3 101.8-112.9 1.5 14.0 -1.3 -1.2 175 174 A H T 3< S+ 0 0 47 -4,-1.2 36,-0.3 -3,-0.4 -1,-0.1 0.703 80.6 55.3 -67.1 -20.2 15.2 -4.8 -0.5 176 175 A S T 3 S+ 0 0 90 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.495 78.7 123.2 -89.7 -3.6 18.6 -3.7 0.8 177 176 A S < - 0 0 29 -3,-1.8 34,-0.1 1,-0.1 -3,-0.0 -0.321 50.7-157.4 -62.0 137.9 17.1 -1.3 3.5 178 177 A K + 0 0 198 4,-0.1 2,-0.4 5,-0.0 -1,-0.1 0.423 59.2 115.6 -90.0 -3.6 18.3 -2.0 7.0 179 178 A E >> - 0 0 61 1,-0.1 4,-2.6 2,-0.0 3,-1.0 -0.564 62.0-146.4 -75.1 122.4 15.2 -0.3 8.4 180 179 A F H 3> S+ 0 0 98 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.901 98.3 55.9 -50.2 -47.5 12.8 -2.6 10.3 181 180 A F H 3> S+ 0 0 26 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.762 112.3 43.5 -65.7 -21.8 9.7 -0.7 9.1 182 181 A I H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.904 114.3 47.8 -83.1 -49.1 10.7 -1.2 5.5 183 182 A Q H X S+ 0 0 40 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.907 115.5 46.1 -56.8 -43.8 11.8 -4.9 5.9 184 183 A K H X S+ 0 0 63 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.888 109.2 53.4 -70.6 -39.2 8.5 -5.7 7.7 185 184 A A H X S+ 0 0 0 -4,-0.9 4,-2.7 -5,-0.3 5,-0.2 0.906 108.8 50.8 -61.4 -40.5 6.3 -3.8 5.2 186 185 A I H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.935 111.5 47.8 -60.9 -46.2 7.9 -5.9 2.4 187 186 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.917 113.1 49.1 -58.3 -44.9 7.2 -9.1 4.4 188 187 A W H X S+ 0 0 67 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.938 110.3 47.4 -63.5 -50.7 3.6 -8.0 5.1 189 188 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.888 115.2 46.8 -64.7 -35.6 2.7 -7.0 1.5 190 189 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.918 112.0 50.1 -69.2 -43.3 4.1 -10.3 0.1 191 190 A R H < S+ 0 0 34 -4,-2.6 4,-0.4 -5,-0.2 -2,-0.2 0.909 114.6 45.5 -58.8 -42.2 2.4 -12.4 2.8 192 191 A E H >< S+ 0 0 49 -4,-2.7 3,-1.6 1,-0.2 4,-0.3 0.942 112.8 47.7 -70.0 -46.8 -0.9 -10.7 2.0 193 192 A Y H >X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.3 3,-2.0 0.831 99.8 68.8 -65.6 -27.7 -0.6 -11.0 -1.8 194 193 A A T 3< S+ 0 0 3 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.728 87.7 67.2 -62.0 -20.1 0.4 -14.6 -1.4 195 194 A K T <4 S+ 0 0 135 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.735 111.6 33.3 -69.5 -21.8 -3.3 -15.1 -0.3 196 195 A T T <4 S+ 0 0 52 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.1 0.831 139.8 11.7 -98.4 -45.7 -4.2 -14.2 -3.8 197 196 A N X + 0 0 45 -4,-2.5 4,-1.5 1,-0.1 3,-0.2 -0.691 63.7 169.2-138.2 80.9 -1.3 -15.7 -5.8 198 197 A P H > S+ 0 0 38 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.863 76.1 58.4 -64.6 -36.7 0.9 -18.0 -3.7 199 198 A D H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 106.6 48.0 -60.7 -41.6 2.9 -19.4 -6.6 200 199 A V H > S+ 0 0 39 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 114.0 45.8 -68.6 -40.1 4.1 -15.9 -7.7 201 200 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.926 112.6 51.1 -68.2 -43.4 5.1 -14.9 -4.2 202 201 A W H X S+ 0 0 49 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.943 111.5 46.8 -57.6 -48.9 6.9 -18.2 -3.6 203 202 A E H X S+ 0 0 103 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.919 112.0 52.3 -60.9 -40.9 8.9 -18.0 -6.8 204 203 A Y H >X S+ 0 0 17 -4,-2.0 4,-1.0 1,-0.2 3,-0.9 0.947 110.6 44.7 -61.7 -49.4 9.8 -14.4 -6.0 205 204 A V H 3< S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.775 113.2 51.6 -69.9 -24.4 11.1 -15.0 -2.5 206 205 A Q H 3< S+ 0 0 81 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.640 120.4 33.5 -82.3 -13.4 13.1 -18.1 -3.7 207 206 A N H << S+ 0 0 105 -4,-0.9 2,-0.3 -3,-0.9 -2,-0.2 0.339 109.4 60.9-128.6 6.0 14.8 -16.2 -6.6 208 207 A N S < S- 0 0 74 -4,-1.0 2,-0.1 -5,-0.1 -1,-0.1 -0.993 84.3-101.0-137.9 144.1 15.3 -12.6 -5.4 209 208 A E + 0 0 155 -2,-0.3 2,-0.3 -3,-0.0 -34,-0.1 -0.390 46.5 164.2 -65.7 133.9 17.3 -11.1 -2.5 210 209 A L - 0 0 30 -2,-0.1 -34,-0.1 -5,-0.1 -35,-0.1 -0.982 44.1 -95.8-143.0 153.2 15.4 -10.1 0.6 211 210 A A > - 0 0 9 -2,-0.3 4,-2.3 -36,-0.3 3,-0.3 -0.426 43.6-112.6 -61.1 145.5 16.2 -9.3 4.2 212 211 A P H > S+ 0 0 97 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.883 118.2 51.9 -49.2 -44.2 15.8 -12.4 6.4 213 212 A L H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.910 108.6 50.8 -61.0 -42.5 12.8 -10.7 8.2 214 213 A S H > S+ 0 0 1 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.925 112.5 46.0 -62.3 -45.3 11.1 -9.9 4.9 215 214 A K H X S+ 0 0 75 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.937 113.4 46.8 -65.8 -47.4 11.4 -13.5 3.6 216 215 A R H < S+ 0 0 145 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.888 114.4 48.0 -65.8 -35.3 10.3 -15.2 6.8 217 216 A E H >< S+ 0 0 34 -4,-2.2 3,-0.8 -5,-0.3 4,-0.3 0.897 108.8 55.7 -68.7 -38.4 7.3 -12.9 7.1 218 217 A A H 3< S+ 0 0 1 -4,-2.1 4,-0.4 -5,-0.2 3,-0.3 0.869 117.0 33.3 -59.1 -39.9 6.4 -13.4 3.5 219 218 A I T 3X S+ 0 0 26 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.250 77.8 117.3-106.0 13.6 6.2 -17.2 3.7 220 219 A K T <4 S+ 0 0 96 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.816 95.1 20.6 -56.5 -30.2 4.9 -17.6 7.3 221 220 A H T >4 S+ 0 0 107 -3,-0.3 3,-1.9 -4,-0.3 4,-0.4 0.832 121.8 54.2-100.0 -47.4 1.7 -19.2 5.9 222 221 A I T >> S+ 0 0 12 -4,-0.4 4,-1.4 1,-0.3 3,-0.7 0.651 87.8 79.3 -71.5 -11.1 2.6 -20.5 2.4 223 222 A K H 3X S+ 0 0 72 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.784 89.6 59.2 -61.8 -22.7 5.6 -22.4 3.6 224 223 A Q H <4 S+ 0 0 142 -3,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.824 102.9 52.3 -71.2 -31.5 2.9 -25.0 4.6 225 224 A N H <4 S+ 0 0 111 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.842 123.4 24.6 -69.6 -36.6 1.9 -25.2 1.0 226 225 A Y H < S- 0 0 73 -4,-1.4 -2,-0.2 1,-0.1 -3,-0.2 0.689 103.3-127.8-108.0 -23.6 5.3 -25.9 -0.4 227 226 A G < - 0 0 32 -4,-2.2 2,-0.6 -5,-0.2 -1,-0.1 -0.075 20.1 -88.3 92.3 163.3 7.3 -27.5 2.4 228 227 A I - 0 0 127 -4,-0.1 3,-0.1 -2,-0.0 -1,-0.1 -0.922 42.8-135.7-116.1 102.7 10.6 -26.7 4.0 229 228 A N - 0 0 138 -2,-0.6 2,-0.1 1,-0.1 -2,-0.0 -0.257 25.7-103.9 -57.7 137.6 13.4 -28.6 2.2 230 229 A N 0 0 165 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.403 360.0 360.0 -58.1 137.5 16.1 -30.3 4.4 231 230 A E 0 0 156 -3,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 0.528 360.0 360.0 -86.9 360.0 19.2 -28.2 4.3