==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-07 2JG6 . COMPND 2 MOLECULE: DNA-3-METHYLADENINE GLYCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR X.YAN,L.G.CARTER,H.LIU,M.DORWARD,S.A.MCMAHON,K.A.JOHNSON, . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.6 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 . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.8 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 1 0 1 1 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 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 . 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 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 78 0, 0.0 4,-2.0 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 121.4 9.1 52.3 6.1 2 2 A N T 4> + 0 0 82 1,-0.2 5,-2.5 2,-0.2 6,-0.3 0.892 360.0 52.2 -58.8 -46.3 6.5 49.6 6.8 3 3 A E T >45S+ 0 0 81 1,-0.2 3,-1.1 3,-0.2 -1,-0.2 0.920 110.1 49.0 -57.9 -46.5 4.6 50.1 3.6 4 4 A C T 345S+ 0 0 0 1,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.885 104.9 58.4 -62.2 -40.0 7.8 49.8 1.6 5 5 A A T ><5S- 0 0 0 -4,-2.0 3,-2.1 1,-0.1 -1,-0.3 -0.050 122.4-101.5 -84.6 32.2 8.8 46.6 3.3 6 6 A F T < 5 - 0 0 113 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.704 65.8 -71.3 60.0 24.6 5.6 44.8 2.3 7 7 A G T 3 - 0 0 61 1,-0.2 4,-2.2 2,-0.1 3,-0.4 -0.377 63.6-146.1 -60.8 122.2 9.8 40.5 11.5 11 11 A P H > S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.712 95.2 63.4 -72.5 -16.4 13.0 42.5 12.0 12 12 A V H > S+ 0 0 74 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.922 109.3 42.1 -63.8 -43.4 15.2 39.9 10.3 13 13 A Y H > S+ 0 0 23 -3,-0.4 4,-2.3 2,-0.2 3,-0.2 0.932 113.1 53.1 -66.2 -43.5 13.2 40.6 7.2 14 14 A L H X S+ 0 0 46 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.865 102.9 58.3 -60.9 -37.0 13.3 44.3 7.9 15 15 A N H X S+ 0 0 90 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.916 107.5 47.2 -55.1 -45.5 17.1 44.1 8.2 16 16 A Y H X>S+ 0 0 14 -4,-1.4 5,-2.8 -3,-0.2 4,-1.8 0.918 114.1 46.9 -61.2 -45.4 17.2 42.7 4.6 17 17 A H H <5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 118.3 42.6 -61.6 -39.8 14.9 45.5 3.4 18 18 A D H <5S+ 0 0 58 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.756 128.3 22.8 -79.3 -30.5 17.0 48.1 5.2 19 19 A H H <5S+ 0 0 128 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.381 133.1 15.6-126.9 -1.0 20.5 46.9 4.4 20 20 A V T ><5S+ 0 0 54 -4,-1.8 3,-2.4 -5,-0.2 -3,-0.2 0.492 90.8 92.1-134.8 -61.4 20.4 44.8 1.2 21 21 A W T 3 - 0 0 94 1,-0.1 4,-2.5 86,-0.1 5,-0.2 -0.639 62.4-144.4 -80.8 124.9 30.4 43.0 -7.3 28 28 A S H > S+ 0 0 19 -2,-0.4 4,-2.2 1,-0.2 -1,-0.1 0.912 98.0 44.9 -53.4 -50.5 30.2 40.0 -9.6 29 29 A K H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 113.0 50.8 -66.3 -37.0 30.4 37.3 -7.0 30 30 A A H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 109.3 51.8 -68.0 -38.8 27.9 39.1 -4.7 31 31 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.928 109.0 50.4 -59.8 -45.0 25.5 39.4 -7.6 32 32 A F H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.922 110.4 49.5 -59.1 -45.4 25.8 35.7 -8.3 33 33 A K H X S+ 0 0 38 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.930 112.4 47.1 -60.8 -46.7 25.1 34.8 -4.7 34 34 A L H X S+ 0 0 19 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.919 114.0 47.5 -62.9 -44.6 22.0 37.0 -4.5 35 35 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.928 112.4 49.9 -59.8 -47.1 20.7 35.6 -7.8 36 36 A A H X S+ 0 0 0 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.924 112.8 45.8 -59.7 -47.2 21.3 32.0 -6.7 37 37 A L H >< S+ 0 0 8 -4,-2.7 3,-1.3 1,-0.2 4,-0.4 0.889 108.3 57.1 -65.8 -38.2 19.5 32.6 -3.4 38 38 A E H >< S+ 0 0 10 -4,-2.5 3,-1.5 1,-0.3 4,-0.4 0.881 100.1 59.2 -56.8 -38.0 16.6 34.4 -5.2 39 39 A S H 3< S+ 0 0 3 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.710 100.4 56.9 -64.9 -18.4 16.2 31.2 -7.3 40 40 A Q T << S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.586 86.9 82.7 -87.5 -10.1 15.6 29.3 -4.0 41 41 A H X + 0 0 53 -3,-1.5 3,-2.0 -4,-0.4 -1,-0.2 0.815 57.0 124.0 -60.6 -39.6 12.7 31.6 -3.1 42 42 A A T 3 S- 0 0 56 -4,-0.4 3,-0.1 -3,-0.3 -3,-0.0 0.078 86.2 -4.4 -41.9 119.5 9.9 29.9 -5.1 43 43 A G T 3 S+ 0 0 86 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.633 120.0 86.1 75.5 15.7 6.9 28.8 -3.1 44 44 A L S < S- 0 0 62 -3,-2.0 -1,-0.3 0, 0.0 2,-0.2 -0.900 83.8 -96.7-136.3 164.0 8.5 29.9 0.2 45 45 A S >> - 0 0 66 -2,-0.3 4,-0.9 1,-0.1 3,-0.7 -0.610 30.0-125.1 -78.7 147.0 8.8 33.0 2.3 46 46 A W H >> S+ 0 0 18 1,-0.2 4,-2.6 -2,-0.2 3,-0.6 0.879 110.8 64.3 -59.6 -37.1 12.0 35.1 1.9 47 47 A L H 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 95.1 60.7 -51.5 -40.3 12.5 34.8 5.7 48 48 A T H <> S+ 0 0 43 -3,-0.7 4,-0.5 1,-0.2 -1,-0.2 0.906 110.1 39.7 -54.1 -44.5 12.9 31.0 5.2 49 49 A I H XX S+ 0 0 1 -4,-0.9 3,-0.7 -3,-0.6 4,-0.5 0.889 111.7 57.1 -74.6 -39.5 15.9 31.6 2.9 50 50 A L H >< S+ 0 0 38 -4,-2.6 3,-0.9 1,-0.3 4,-0.3 0.888 106.4 48.7 -59.0 -41.0 17.3 34.4 5.0 51 51 A K H 3< S+ 0 0 147 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.702 115.8 45.9 -73.3 -18.8 17.5 32.3 8.1 52 52 A K H S+ 0 0 151 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.860 110.8 51.5 -65.6 -34.6 24.7 30.6 6.3 55 55 A A H > S+ 0 0 9 -3,-0.3 4,-1.9 29,-0.2 -1,-0.2 0.903 109.2 50.3 -64.8 -43.7 23.7 27.0 5.7 56 56 A Y H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 7,-0.3 0.901 107.9 54.2 -59.1 -41.3 23.5 27.7 1.9 57 57 A E H <>S+ 0 0 43 -4,-2.3 5,-3.0 1,-0.2 6,-0.3 0.911 110.5 45.8 -59.0 -43.9 27.0 29.3 2.1 58 58 A E H <5S+ 0 0 150 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.814 114.1 49.1 -69.3 -30.7 28.4 26.1 3.8 59 59 A A H <5S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.803 118.7 37.7 -75.7 -30.0 26.6 23.9 1.2 60 60 A F T ><5S- 0 0 0 -4,-2.0 3,-1.8 -5,-0.1 4,-0.4 -0.177 112.4 -98.4-125.0 38.1 27.8 25.8 -1.8 61 61 A Y G > 5S- 0 0 120 -3,-0.5 3,-1.7 1,-0.3 -3,-0.2 0.852 81.8 -60.0 54.8 36.5 31.4 27.0 -1.2 62 62 A D G 3 - 0 0 58 -3,-1.7 4,-2.7 -4,-0.4 3,-0.8 -0.660 31.4-146.6 -72.8 111.1 32.2 31.0 -5.3 65 65 A P H 3> S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.852 91.9 54.1 -56.0 -42.5 31.3 30.3 -8.9 66 66 A E H 34 S+ 0 0 132 1,-0.2 4,-0.4 2,-0.2 -2,-0.0 0.850 116.8 40.2 -58.7 -35.1 34.5 28.4 -10.0 67 67 A K H X4 S+ 0 0 116 -3,-0.8 3,-0.8 2,-0.2 4,-0.3 0.911 116.0 47.7 -80.1 -44.5 33.9 26.0 -7.1 68 68 A V H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.905 104.8 61.7 -62.0 -40.6 30.1 25.7 -7.4 69 69 A A T 3< S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.731 99.3 56.0 -59.1 -26.6 30.4 25.1 -11.2 70 70 A Q T < S+ 0 0 151 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.501 81.6 117.1 -86.1 -6.7 32.4 21.9 -10.6 71 71 A M < - 0 0 8 -3,-2.0 2,-0.2 -4,-0.3 -3,-0.0 -0.275 46.4-164.6 -65.0 149.0 29.8 20.3 -8.4 72 72 A T >> - 0 0 74 1,-0.0 4,-2.2 24,-0.0 3,-0.7 -0.657 41.2 -83.8-126.9 179.6 28.2 17.0 -9.6 73 73 A A H 3> S+ 0 0 61 1,-0.3 4,-3.1 2,-0.2 5,-0.1 0.808 126.7 62.7 -53.6 -31.4 25.2 14.8 -8.8 74 74 A Q H 3> S+ 0 0 152 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.911 104.2 44.9 -63.2 -44.7 27.4 13.3 -6.2 75 75 A D H <> S+ 0 0 25 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.924 113.0 51.0 -62.0 -45.9 27.5 16.7 -4.3 76 76 A I H X S+ 0 0 5 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.918 105.4 56.3 -62.2 -40.4 23.8 17.1 -4.8 77 77 A D H < S+ 0 0 95 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.907 111.6 44.0 -52.7 -45.4 23.2 13.6 -3.4 78 78 A R H >< S+ 0 0 122 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.904 110.2 54.3 -66.1 -43.7 25.0 14.7 -0.2 79 79 A L H >< S+ 0 0 2 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.736 88.5 78.0 -68.7 -21.8 23.3 18.1 -0.0 80 80 A M T 3< S+ 0 0 56 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.609 107.9 31.6 -64.5 -10.8 19.8 16.4 -0.1 81 81 A T T < S+ 0 0 119 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.111 87.7 126.0-127.7 21.1 20.5 15.6 3.6 82 82 A F X - 0 0 46 -3,-1.8 3,-0.9 1,-0.1 -23,-0.0 -0.681 69.3-105.6 -78.1 126.8 22.6 18.7 4.5 83 83 A P T 3 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.225 89.6 9.4 -61.7 140.7 21.0 20.4 7.5 84 84 A N T 3 S+ 0 0 84 1,-0.2 2,-0.3 -3,-0.0 -29,-0.2 0.705 97.1 103.5 69.3 25.9 19.1 23.6 7.2 85 85 A I S < S- 0 0 4 -3,-0.9 2,-0.6 -6,-0.1 -1,-0.2 -0.907 82.7 -95.7-121.7 162.4 18.8 24.0 3.5 86 86 A V - 0 0 31 -2,-0.3 2,-1.8 1,-0.1 6,-0.1 -0.674 30.9-143.9 -82.4 120.9 15.7 23.3 1.4 87 87 A H + 0 0 84 -2,-0.6 2,-0.6 -7,-0.1 -1,-0.1 -0.455 51.1 135.1 -87.9 65.2 16.0 19.8 0.0 88 88 A H > - 0 0 81 -2,-1.8 4,-2.0 1,-0.2 3,-0.4 -0.962 45.7-152.9-112.8 108.0 14.4 20.4 -3.3 89 89 A R H > S+ 0 0 74 -2,-0.6 4,-2.8 1,-0.3 5,-0.2 0.864 90.4 49.5 -57.5 -45.5 16.6 18.6 -5.8 90 90 A K H > S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.850 110.1 52.5 -63.7 -34.7 15.9 20.8 -8.8 91 91 A K H > S+ 0 0 7 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.926 112.0 45.5 -64.0 -43.5 16.5 23.9 -6.8 92 92 A L H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 3,-0.5 0.937 112.8 49.3 -67.2 -47.0 19.9 22.6 -5.6 93 93 A E H X S+ 0 0 57 -4,-2.8 4,-2.0 1,-0.2 3,-0.3 0.863 104.2 62.5 -54.5 -38.8 20.9 21.5 -9.1 94 94 A A H X S+ 0 0 1 -4,-1.8 4,-2.9 1,-0.2 61,-0.4 0.883 95.7 58.0 -59.3 -38.6 19.9 24.9 -10.5 95 95 A I H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.5 -1,-0.2 0.907 107.1 48.5 -60.4 -40.2 22.6 26.6 -8.4 96 96 A V H X S+ 0 0 9 -4,-1.1 4,-2.2 -3,-0.3 -1,-0.2 0.932 111.0 49.3 -63.8 -46.4 25.3 24.5 -10.0 97 97 A N H X S+ 0 0 48 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.890 109.6 53.3 -61.4 -39.5 23.9 25.3 -13.5 98 98 A Q H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.927 107.3 50.3 -59.1 -45.6 23.8 29.0 -12.7 99 99 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.902 110.1 50.2 -61.2 -40.8 27.5 28.9 -11.6 100 100 A Q H X S+ 0 0 68 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.911 110.6 50.7 -59.9 -40.7 28.3 27.2 -14.9 101 101 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.891 106.4 54.5 -65.8 -40.0 26.4 29.9 -16.7 102 102 A Y H X S+ 0 0 6 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.918 108.0 49.3 -58.1 -45.5 28.3 32.6 -14.8 103 103 A L H X S+ 0 0 37 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.900 110.5 50.8 -62.6 -38.9 31.6 31.1 -16.0 104 104 A K H X S+ 0 0 123 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.891 110.4 49.4 -66.3 -40.6 30.3 31.1 -19.6 105 105 A I H X>S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.5 0.930 110.8 49.2 -62.0 -46.6 29.3 34.7 -19.3 106 106 A E H X5S+ 0 0 53 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.851 110.0 52.3 -67.2 -30.3 32.7 35.8 -17.9 107 107 A Q H <5S+ 0 0 172 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.908 119.4 34.9 -64.2 -41.9 34.4 33.8 -20.8 108 108 A A H <5S+ 0 0 75 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.798 137.8 16.0 -83.8 -29.8 32.3 35.7 -23.4 109 109 A Y H <5S- 0 0 129 -4,-3.1 2,-1.0 -5,-0.2 -3,-0.2 0.425 90.1-126.8-130.7 -7.9 32.0 39.1 -21.7 110 110 A G S < - 0 0 20 -2,-1.0 4,-2.3 -6,-0.2 5,-0.1 -0.984 55.8-156.3-135.8 126.2 32.5 40.4 -16.1 112 112 A F H > S+ 0 0 0 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.892 102.1 52.6 -63.0 -40.6 29.2 39.0 -14.7 113 113 A S H > S+ 0 0 11 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.948 109.3 47.6 -58.7 -49.0 28.5 42.4 -13.1 114 114 A K H > S+ 0 0 142 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.892 110.1 54.9 -62.9 -37.6 29.1 44.3 -16.3 115 115 A F H < S+ 0 0 15 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.950 114.4 38.4 -56.6 -53.6 26.8 41.8 -18.1 116 116 A L H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 4,-0.3 0.938 114.0 53.2 -66.1 -47.9 23.9 42.4 -15.8 117 117 A W H ><>S+ 0 0 8 -4,-3.0 5,-2.7 1,-0.3 3,-1.7 0.763 94.0 72.8 -63.5 -22.9 24.4 46.1 -15.3 118 118 A S G ><5S+ 0 0 52 -4,-1.5 3,-1.4 -5,-0.3 -1,-0.3 0.794 84.7 67.9 -59.2 -26.9 24.3 46.6 -19.1 119 119 A Y G < 5S+ 0 0 54 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.684 110.5 33.2 -71.2 -17.8 20.6 45.9 -19.0 120 120 A V G X 5S- 0 0 15 -3,-1.7 3,-1.3 -4,-0.3 -1,-0.3 0.046 120.5-104.5-119.8 22.9 20.1 49.2 -17.1 121 121 A N T < 5S- 0 0 152 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.821 72.9 -60.0 57.8 34.2 22.9 51.1 -18.9 122 122 A G T 3 S- 0 0 94 1,-0.1 3,-2.0 46,-0.1 4,-0.4 -0.936 75.8-127.5-122.9 145.5 2.8 53.5 -2.9 132 132 A A G > S+ 0 0 30 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.825 112.0 62.3 -59.7 -30.0 3.5 49.8 -2.4 133 133 A S G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.0 -4,-0.0 0.567 88.7 70.6 -71.9 -11.6 0.5 49.2 -4.7 134 134 A D G < S+ 0 0 69 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.689 78.4 110.9 -68.6 -21.4 2.4 51.0 -7.5 135 135 A R < - 0 0 33 -3,-1.3 2,-0.2 -4,-0.4 39,-0.0 -0.323 53.2-159.1 -71.6 133.6 4.7 48.0 -7.7 136 136 A I - 0 0 80 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.550 11.9-146.9 -96.6 169.0 4.7 45.7 -10.6 137 137 A T S S+ 0 0 98 1,-0.3 2,-0.3 -2,-0.2 27,-0.2 0.489 75.0 17.2-116.1 -6.7 6.1 42.1 -10.5 138 138 A V + 0 0 56 25,-0.1 -1,-0.3 24,-0.1 2,-0.3 -0.990 57.6 177.0-158.3 156.7 7.5 41.8 -14.0 139 139 A D > - 0 0 29 -2,-0.3 4,-1.7 20,-0.2 5,-0.1 -0.915 45.4 -91.6-151.4-178.0 8.5 43.7 -17.1 140 140 A D H > S+ 0 0 131 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.899 119.2 50.8 -66.8 -43.7 10.0 43.4 -20.6 141 141 A T H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.937 110.6 48.2 -62.2 -46.4 13.6 43.9 -19.6 142 142 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.891 111.4 52.2 -62.4 -36.8 13.4 41.2 -16.8 143 143 A T H X S+ 0 0 43 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.935 111.4 45.5 -64.3 -46.5 11.8 38.9 -19.3 144 144 A Q H X S+ 0 0 79 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.905 112.8 50.3 -64.5 -42.0 14.6 39.4 -21.9 145 145 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.920 108.7 53.0 -61.9 -43.2 17.3 39.0 -19.2 146 146 A S H X S+ 0 0 14 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.951 112.9 44.3 -54.2 -51.1 15.6 35.8 -18.1 147 147 A K H X S+ 0 0 115 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.900 113.2 50.6 -59.1 -44.5 15.7 34.5 -21.7 148 148 A D H < S+ 0 0 43 -4,-2.9 4,-0.4 1,-0.2 3,-0.2 0.893 110.8 48.2 -65.7 -40.4 19.3 35.7 -22.2 149 149 A L H ><>S+ 0 0 2 -4,-3.0 5,-1.7 1,-0.2 3,-1.7 0.889 104.0 61.5 -65.4 -37.6 20.5 34.0 -19.0 150 150 A K H ><5S+ 0 0 139 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.864 95.8 61.9 -56.7 -35.2 18.7 30.8 -20.0 151 151 A Q T 3<5S+ 0 0 156 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.679 102.2 50.0 -65.8 -21.0 21.0 30.7 -23.1 152 152 A Y T < 5S- 0 0 74 -3,-1.7 -1,-0.3 -4,-0.4 -48,-0.2 0.342 130.2 -95.0 -97.0 2.5 24.0 30.4 -20.9 153 153 A G T < 5 + 0 0 28 -3,-1.7 -3,-0.2 -4,-0.3 -52,-0.1 0.489 69.5 154.5 100.6 5.4 22.4 27.5 -19.0 154 154 A F < - 0 0 7 -5,-1.7 2,-0.3 -56,-0.1 -1,-0.3 -0.380 23.3-164.5 -63.1 144.0 20.8 29.3 -16.0 155 155 A K + 0 0 113 -61,-0.4 -57,-0.1 1,-0.1 -116,-0.1 -0.910 58.0 26.1-131.2 158.4 17.8 27.5 -14.5 156 156 A F S S+ 0 0 84 -2,-0.3 2,-0.2 1,-0.1 -114,-0.2 0.757 86.8 113.5 62.3 29.8 15.0 28.4 -12.1 157 157 A L + 0 0 12 -3,-0.1 -7,-0.1 -11,-0.1 -8,-0.1 -0.615 40.4 169.0-132.7 72.0 15.1 32.1 -13.1 158 158 A G > - 0 0 30 -2,-0.2 4,-2.9 -119,-0.1 5,-0.2 -0.131 53.0 -86.6 -74.1 175.2 11.9 33.0 -14.9 159 159 A P H > S+ 0 0 47 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.901 127.4 47.4 -52.0 -49.0 10.9 36.5 -15.8 160 160 A V H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.918 114.0 48.1 -63.9 -41.2 9.1 37.3 -12.4 161 161 A T H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 111.9 48.9 -64.8 -44.0 12.1 35.8 -10.4 162 162 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.913 108.8 53.9 -62.8 -39.6 14.6 37.9 -12.5 163 163 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.931 108.6 49.9 -57.7 -45.0 12.5 41.0 -11.9 164 164 A S H X S+ 0 0 35 -4,-2.3 4,-2.3 -27,-0.2 -1,-0.2 0.905 110.4 50.2 -59.5 -43.1 12.6 40.3 -8.2 165 165 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 6,-0.3 0.907 105.5 55.8 -61.7 -45.3 16.4 39.9 -8.4 166 166 A L H <>S+ 0 0 0 -4,-2.8 6,-2.3 1,-0.2 5,-1.3 0.919 111.9 43.7 -55.1 -42.9 16.8 43.2 -10.3 167 167 A E H ><5S+ 0 0 13 -4,-1.9 3,-0.7 4,-0.2 -145,-0.5 0.900 113.9 50.9 -66.1 -43.2 15.0 45.0 -7.4 168 168 A A H 3<5S+ 0 0 2 -4,-2.3 -146,-1.1 1,-0.2 -145,-0.5 0.890 112.5 45.2 -63.7 -41.9 17.0 43.1 -4.8 169 169 A A T 3<5S- 0 0 1 -4,-2.9 -144,-2.3 -148,-0.2 -1,-0.2 0.432 113.5-116.7 -83.4 -3.6 20.4 43.9 -6.3 170 170 A G T < 5S+ 0 0 0 -3,-0.7 -3,-0.2 2,-0.4 -4,-0.1 0.557 84.0 120.9 78.2 9.5 19.4 47.6 -6.9 171 171 A L S - 0 0 1 -2,-0.1 3,-2.3 1,-0.1 -46,-0.2 -0.389 29.2-109.5 -71.9 152.4 9.1 54.1 -2.0 177 177 A K T 3 S+ 0 0 103 -48,-2.1 -47,-0.1 1,-0.3 -1,-0.1 0.819 118.0 41.4 -51.3 -40.4 9.9 57.8 -2.2 178 178 A D T 3 S+ 0 0 112 -48,-0.2 -1,-0.3 3,-0.0 -48,-0.1 0.254 84.2 121.0 -96.8 10.5 9.5 58.3 1.5 179 179 A C X - 0 0 8 -3,-2.3 3,-1.9 1,-0.1 -4,-0.0 -0.650 62.3-139.2 -74.6 131.3 11.3 55.2 2.6 180 180 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.665 102.8 56.0 -58.9 -21.5 14.4 55.9 4.8 181 181 A S T 3 S+ 0 0 21 -5,-0.1 -6,-0.1 2,-0.1 -3,-0.0 0.359 73.1 123.8 -95.6 3.6 16.3 53.2 3.0 182 182 A K < - 0 0 48 -3,-1.9 -159,-0.1 -6,-0.2 -160,-0.1 -0.508 63.7-124.7 -67.2 122.8 15.8 54.6 -0.6 183 183 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.343 17.9-112.0 -71.1 152.1 19.3 55.0 -2.1 184 184 A K - 0 0 166 -2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.679 32.4-161.5 -79.7 133.6 20.5 58.3 -3.4 185 185 A H 0 0 45 -2,-0.4 -62,-0.0 -62,-0.0 0, 0.0 -0.963 360.0 360.0-119.4 135.9 21.0 58.3 -7.2 186 186 A N 0 0 194 -2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.546 360.0 360.0-112.0 360.0 23.1 60.8 -9.1