==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-12 4AI4 . COMPND 2 MOLECULE: DNA-3-METHYLADENINE GLYCOSYLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS MS . AUTHOR X.ZHU,J.H.NAISMITH . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 67.7 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 . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 39.8 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 2 2 0 1 1 0 2 0 0 0 0 0 0 0 1 0 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 94 0, 0.0 4,-2.6 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -48.9 9.4 52.6 6.0 2 2 A N T 4> + 0 0 71 1,-0.2 5,-2.2 2,-0.2 6,-0.2 0.903 360.0 46.7 -59.1 -44.6 6.5 50.2 7.0 3 3 A E T >45S+ 0 0 91 1,-0.2 3,-1.3 3,-0.2 -1,-0.2 0.913 113.1 49.8 -63.0 -42.7 4.6 50.7 3.7 4 4 A C T 345S+ 0 0 1 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.893 105.5 57.4 -61.7 -42.8 7.8 50.3 1.7 5 5 A A T ><5S- 0 0 5 -4,-2.6 3,-1.5 3,-0.1 -1,-0.3 0.099 119.8-106.8 -79.2 22.1 8.7 47.1 3.5 6 6 A F T < 5 - 0 0 123 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.773 63.2 -69.3 63.2 29.5 5.4 45.4 2.5 7 7 A G T 3 - 0 0 63 1,-0.2 4,-2.7 2,-0.1 3,-0.2 -0.437 61.2-146.0 -61.8 122.0 9.6 40.5 11.2 11 11 A P H > S+ 0 0 92 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.721 95.5 58.8 -66.9 -24.3 13.0 42.3 12.0 12 12 A V H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.1 5,-0.1 0.922 111.0 42.8 -67.8 -42.7 15.1 39.8 10.0 13 13 A Y H > S+ 0 0 68 -3,-0.2 4,-2.4 1,-0.2 5,-0.2 0.946 113.9 51.7 -66.2 -45.9 13.0 40.7 6.9 14 14 A L H X S+ 0 0 29 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.892 105.1 56.2 -57.7 -39.3 13.2 44.4 7.9 15 15 A N H X S+ 0 0 88 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.944 108.2 48.0 -57.1 -47.1 17.0 44.2 8.2 16 16 A Y H X>S+ 0 0 15 -4,-1.8 5,-2.8 1,-0.2 4,-1.6 0.910 113.5 47.4 -59.2 -44.3 17.1 42.9 4.6 17 17 A H H <5S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 117.5 42.9 -60.6 -39.5 14.8 45.7 3.5 18 18 A D H <5S+ 0 0 48 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.745 128.4 22.2 -81.7 -29.2 16.9 48.3 5.3 19 19 A H H <5S+ 0 0 129 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.359 133.0 15.9-127.7 1.4 20.4 47.1 4.4 20 20 A V T ><5S+ 0 0 58 -4,-1.6 3,-2.4 -5,-0.2 -3,-0.2 0.494 89.8 93.7-136.8 -60.3 20.3 45.0 1.3 21 21 A W T 3 - 0 0 92 1,-0.1 4,-2.2 86,-0.1 5,-0.2 -0.621 62.4-145.4 -80.0 126.7 30.3 43.2 -7.1 28 28 A S H > S+ 0 0 20 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.898 96.8 45.8 -58.4 -47.4 30.0 40.2 -9.5 29 29 A K H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 112.8 50.0 -68.8 -37.9 30.3 37.4 -6.9 30 30 A A H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 110.6 51.1 -66.3 -37.2 27.8 39.2 -4.5 31 31 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.926 109.3 50.7 -64.9 -43.7 25.4 39.6 -7.5 32 32 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.936 110.6 49.5 -57.9 -46.2 25.8 35.8 -8.3 33 33 A K H X S+ 0 0 46 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.919 112.3 46.4 -61.1 -47.3 25.0 34.9 -4.7 34 34 A L H X S+ 0 0 16 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.901 113.3 48.8 -64.2 -42.2 21.9 37.1 -4.5 35 35 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.937 112.1 49.5 -61.3 -46.0 20.6 35.8 -7.8 36 36 A A H X S+ 0 0 0 -4,-2.9 4,-0.6 2,-0.2 -2,-0.2 0.926 111.7 47.4 -59.7 -47.8 21.2 32.2 -6.7 37 37 A L H >< S+ 0 0 9 -4,-2.7 3,-1.5 1,-0.2 4,-0.3 0.927 109.1 55.4 -60.5 -43.2 19.4 32.7 -3.4 38 38 A Q H >< S+ 0 0 11 -4,-2.7 3,-1.6 1,-0.3 4,-0.3 0.870 99.9 60.2 -55.7 -38.7 16.5 34.4 -5.3 39 39 A S H 3< S+ 0 0 3 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.710 99.5 57.6 -62.4 -19.6 16.2 31.3 -7.4 40 40 A Q T << S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.540 86.4 83.1 -87.1 -5.2 15.4 29.2 -4.3 41 41 A H X + 0 0 59 -3,-1.6 3,-2.3 -4,-0.3 -1,-0.2 0.751 53.7 121.0 -74.7 -31.1 12.4 31.4 -3.2 42 42 A A T 3 S+ 0 0 58 -3,-0.3 3,-0.1 -4,-0.3 -3,-0.0 -0.041 87.2 2.4 -49.9 125.0 9.6 29.9 -5.3 43 43 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.521 120.3 80.0 80.1 7.3 6.8 28.5 -3.2 44 44 A L S < S- 0 0 66 -3,-2.3 -1,-0.2 0, 0.0 2,-0.2 -0.874 87.0 -92.0-137.1 163.2 8.3 29.7 0.1 45 45 A S >> - 0 0 66 -2,-0.3 4,-1.2 1,-0.1 3,-0.8 -0.581 30.5-128.3 -74.3 143.5 8.7 32.9 2.2 46 46 A W H 3> S+ 0 0 9 1,-0.3 4,-2.7 -2,-0.2 3,-0.2 0.891 112.0 61.8 -60.7 -37.1 11.8 35.0 1.5 47 47 A L H 3> S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.840 97.2 60.5 -55.9 -33.6 12.4 35.0 5.2 48 48 A T H <> S+ 0 0 43 -3,-0.8 4,-0.8 2,-0.2 -1,-0.2 0.943 109.4 40.2 -55.6 -50.2 12.7 31.2 4.9 49 49 A I H < S+ 0 0 0 -4,-1.2 4,-0.3 -3,-0.2 3,-0.3 0.892 114.5 54.5 -69.0 -37.7 15.6 31.5 2.4 50 50 A L H >< S+ 0 0 35 -4,-2.7 3,-1.2 1,-0.2 4,-0.3 0.890 106.1 49.7 -62.6 -43.8 17.2 34.4 4.5 51 51 A K H 3< S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.771 114.5 48.2 -66.1 -23.0 17.2 32.4 7.7 52 52 A K T 3X S+ 0 0 44 -4,-0.8 4,-2.4 -3,-0.3 3,-0.5 0.400 79.2 105.5 -95.8 0.4 18.9 29.7 5.7 53 53 A K H <> S+ 0 0 83 -3,-1.2 4,-2.5 -4,-0.3 -1,-0.2 0.878 79.8 48.4 -52.2 -49.0 21.5 31.9 4.0 54 54 A E H > S+ 0 0 142 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.862 110.9 51.9 -62.0 -35.9 24.5 30.7 6.1 55 55 A A H > S+ 0 0 9 -3,-0.5 4,-2.0 29,-0.2 -1,-0.2 0.907 109.7 49.4 -65.0 -41.6 23.5 27.0 5.6 56 56 A Y H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 7,-0.3 0.907 107.6 54.9 -63.1 -40.5 23.4 27.7 1.8 57 57 A E H <>S+ 0 0 41 -4,-2.5 5,-3.0 1,-0.2 6,-0.3 0.919 110.6 45.7 -55.5 -44.4 26.9 29.3 2.0 58 58 A E H ><5S+ 0 0 151 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.834 113.9 48.7 -68.5 -33.7 28.1 26.1 3.7 59 59 A A H 3<5S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.797 119.3 38.0 -72.0 -30.5 26.3 23.9 1.0 60 60 A F T ><5S- 0 0 0 -4,-2.1 3,-1.7 -5,-0.1 4,-0.5 -0.194 112.7 -97.7-126.8 40.8 27.7 25.9 -1.9 61 61 A Y G X 5S- 0 0 121 -3,-0.5 3,-1.6 1,-0.3 -3,-0.2 0.846 82.0 -59.8 53.1 39.5 31.3 27.0 -1.3 62 62 A D G 3 - 0 0 50 -3,-1.6 4,-2.8 -4,-0.5 3,-0.9 -0.709 31.7-148.5 -78.3 112.3 32.2 31.1 -5.2 65 65 A P H 3> S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.838 91.2 55.2 -60.6 -38.0 31.3 30.4 -8.9 66 66 A E H 34 S+ 0 0 126 1,-0.2 4,-0.4 2,-0.2 -2,-0.0 0.865 116.9 39.6 -59.7 -35.9 34.5 28.6 -9.9 67 67 A K H X4 S+ 0 0 115 -3,-0.9 3,-0.8 -6,-0.2 4,-0.3 0.897 116.3 47.7 -79.6 -46.4 34.0 26.2 -7.1 68 68 A V H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.881 104.3 63.1 -60.2 -36.8 30.2 25.8 -7.4 69 69 A A T 3< S+ 0 0 2 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.723 98.0 55.9 -63.6 -26.3 30.4 25.2 -11.2 70 70 A Q T < S+ 0 0 149 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.483 81.4 116.9 -83.9 -6.9 32.5 22.0 -10.6 71 71 A M < - 0 0 8 -3,-1.7 2,-0.2 -4,-0.3 -3,-0.0 -0.284 46.9-164.9 -66.3 148.0 29.8 20.4 -8.4 72 72 A T >> - 0 0 76 1,-0.0 4,-1.8 24,-0.0 3,-0.7 -0.666 40.8 -82.6-123.9-178.7 28.2 17.2 -9.8 73 73 A A H 3> S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.836 125.6 62.8 -55.3 -33.1 25.2 15.0 -9.1 74 74 A Q H 3> S+ 0 0 149 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 103.7 47.2 -60.8 -42.2 27.3 13.3 -6.3 75 75 A D H <> S+ 0 0 26 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.928 111.6 49.9 -60.6 -45.2 27.4 16.7 -4.5 76 76 A I H X S+ 0 0 5 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.923 106.1 57.2 -65.2 -38.9 23.6 17.2 -5.0 77 77 A D H < S+ 0 0 95 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.907 111.3 42.5 -52.9 -46.5 23.0 13.7 -3.6 78 78 A R H >< S+ 0 0 123 -4,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.919 110.7 55.8 -66.5 -44.6 24.8 14.7 -0.4 79 79 A L H >< S+ 0 0 2 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.737 87.9 77.7 -66.6 -19.9 23.1 18.1 -0.3 80 80 A M T 3< S+ 0 0 58 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.627 108.4 30.6 -66.1 -11.7 19.7 16.5 -0.3 81 81 A T T < S+ 0 0 122 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.124 88.9 126.6-125.9 19.4 20.2 15.6 3.4 82 82 A F X - 0 0 46 -3,-1.5 3,-1.1 1,-0.1 -23,-0.0 -0.632 69.4-103.3 -76.2 130.7 22.4 18.7 4.2 83 83 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.258 89.5 4.9 -65.9 139.1 20.8 20.4 7.2 84 84 A N T 3 S+ 0 0 89 1,-0.3 2,-0.3 -3,-0.0 -29,-0.2 0.594 97.3 105.8 72.1 17.1 18.8 23.6 7.0 85 85 A I S < S- 0 0 4 -3,-1.1 2,-0.5 -6,-0.2 -1,-0.3 -0.839 83.2 -96.2-110.1 162.8 18.8 24.1 3.2 86 86 A V - 0 0 31 -2,-0.3 2,-1.8 1,-0.1 6,-0.1 -0.675 31.8-140.6 -80.1 125.6 15.6 23.4 1.1 87 87 A H + 0 0 85 -2,-0.5 2,-0.6 -7,-0.1 -1,-0.1 -0.441 52.3 135.1 -92.4 69.0 15.9 19.8 -0.2 88 88 A H > - 0 0 78 -2,-1.8 4,-2.1 1,-0.2 3,-0.3 -0.963 45.3-152.6-117.9 110.7 14.4 20.4 -3.6 89 89 A R H > S+ 0 0 76 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.909 91.1 46.2 -62.1 -47.7 16.6 18.6 -6.1 90 90 A K H > S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.822 111.2 53.6 -63.3 -33.5 16.0 20.8 -9.2 91 91 A K H > S+ 0 0 7 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.909 111.8 45.2 -64.1 -41.9 16.5 24.0 -7.1 92 92 A L H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 3,-0.4 0.913 112.1 50.3 -69.3 -43.4 19.9 22.7 -5.9 93 93 A E H X S+ 0 0 54 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.841 103.5 63.2 -58.3 -36.2 21.0 21.6 -9.3 94 94 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 61,-0.4 0.873 95.9 56.3 -60.3 -39.3 20.0 25.1 -10.6 95 95 A I H X S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.902 108.2 48.3 -61.4 -41.4 22.6 26.8 -8.4 96 96 A V H X S+ 0 0 10 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.946 111.8 49.3 -63.9 -46.0 25.3 24.6 -10.1 97 97 A N H X S+ 0 0 46 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.877 109.9 52.4 -60.7 -38.8 24.0 25.4 -13.6 98 98 A Q H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.914 107.3 50.6 -61.5 -46.6 23.9 29.1 -12.7 99 99 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.908 110.6 50.6 -59.6 -40.9 27.6 29.1 -11.6 100 100 A Q H X S+ 0 0 66 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.907 110.7 49.1 -61.6 -40.0 28.4 27.4 -14.9 101 101 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.882 107.1 55.3 -67.6 -40.5 26.5 30.1 -16.7 102 102 A Y H X S+ 0 0 7 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.919 108.3 48.2 -55.7 -47.1 28.4 32.8 -14.8 103 103 A L H X S+ 0 0 35 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.909 110.8 51.4 -63.8 -39.4 31.7 31.3 -15.9 104 104 A K H X S+ 0 0 110 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.893 110.2 49.3 -62.5 -43.1 30.5 31.2 -19.5 105 105 A I H X>S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-1.1 0.919 110.0 50.3 -59.6 -47.0 29.4 34.9 -19.3 106 106 A E H <5S+ 0 0 59 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.887 113.8 46.0 -64.9 -34.3 32.8 35.9 -17.9 107 107 A Q H <5S+ 0 0 175 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.894 120.6 38.2 -68.4 -40.3 34.5 34.1 -20.7 108 108 A A H <5S+ 0 0 76 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.750 137.7 11.1 -84.0 -26.5 32.2 35.5 -23.4 109 109 A Y T <5S- 0 0 128 -4,-2.9 -3,-0.2 -5,-0.2 2,-0.1 0.711 93.8-118.3-128.1 -42.4 31.8 39.0 -22.1 110 110 A G S - 0 0 24 -2,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.985 56.2-147.5-127.7 129.6 32.5 40.6 -16.0 112 112 A F H > S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.896 104.2 52.0 -62.0 -40.8 29.2 39.2 -14.7 113 113 A S H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.948 109.7 47.6 -59.2 -48.9 28.5 42.5 -13.0 114 114 A K H > S+ 0 0 142 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.891 110.3 54.8 -61.8 -39.9 29.1 44.5 -16.2 115 115 A F H < S+ 0 0 13 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.954 113.9 39.6 -52.8 -55.7 26.8 42.0 -18.0 116 116 A L H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.2 0.927 114.1 51.2 -64.9 -47.7 23.9 42.5 -15.6 117 117 A W H ><>S+ 0 0 7 -4,-2.8 5,-3.0 1,-0.3 3,-1.7 0.729 94.0 74.9 -66.9 -21.0 24.3 46.3 -15.2 118 118 A S G ><5S+ 0 0 53 -4,-1.4 3,-1.5 -5,-0.3 -1,-0.3 0.821 84.2 66.9 -57.4 -31.3 24.3 46.7 -19.0 119 119 A Y G < 5S+ 0 0 52 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.651 110.2 33.8 -66.9 -17.4 20.6 46.0 -18.9 120 120 A V G X 5S- 0 0 15 -3,-1.7 3,-1.5 -4,-0.2 -1,-0.3 -0.018 121.0-103.8-122.5 25.2 20.1 49.4 -17.1 121 121 A N T < 5S- 0 0 151 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.794 74.0 -57.9 55.9 36.0 22.9 51.2 -18.9 122 122 A G T 3 S- 0 0 95 1,-0.1 3,-1.9 46,-0.0 4,-0.3 -0.957 75.0-130.8-125.4 143.5 2.8 53.9 -2.9 132 132 A A G > S+ 0 0 31 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.825 110.2 63.0 -62.5 -29.7 3.4 50.2 -2.4 133 133 A S G 3 S+ 0 0 107 1,-0.2 -1,-0.3 -3,-0.0 -4,-0.0 0.582 88.7 70.3 -68.9 -12.6 0.4 49.6 -4.7 134 134 A D G < S+ 0 0 69 -3,-1.9 -1,-0.2 2,-0.0 2,-0.2 0.675 77.8 111.1 -71.4 -21.3 2.4 51.3 -7.5 135 135 A R < - 0 0 32 -3,-1.3 2,-0.1 -4,-0.3 39,-0.0 -0.378 52.4-159.9 -71.1 125.6 4.7 48.3 -7.6 136 136 A I - 0 0 82 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.449 12.0-146.6 -90.0 168.4 4.7 45.9 -10.6 137 137 A T S S+ 0 0 95 1,-0.3 2,-0.3 -2,-0.1 27,-0.2 0.426 74.9 15.6-118.1 -2.9 6.1 42.4 -10.4 138 138 A V + 0 0 56 25,-0.1 -1,-0.3 24,-0.1 2,-0.3 -0.972 58.2 177.0-162.4 158.7 7.5 41.9 -13.9 139 139 A D > - 0 0 31 -2,-0.3 4,-1.8 20,-0.2 5,-0.1 -0.908 46.4 -89.2-154.5-177.6 8.5 43.9 -17.0 140 140 A D H > S+ 0 0 130 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.905 120.3 51.7 -69.7 -42.6 10.0 43.6 -20.5 141 141 A T H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.928 110.3 48.3 -62.2 -44.7 13.6 44.0 -19.4 142 142 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.882 111.3 52.2 -63.5 -38.1 13.4 41.3 -16.7 143 143 A T H X S+ 0 0 41 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.938 111.7 44.7 -64.5 -46.1 11.8 39.0 -19.3 144 144 A Q H X S+ 0 0 75 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.906 113.0 50.7 -65.1 -39.5 14.5 39.5 -21.8 145 145 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.925 109.5 51.5 -64.3 -41.0 17.3 39.2 -19.1 146 146 A S H X S+ 0 0 13 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.943 112.6 46.0 -57.0 -49.8 15.6 35.9 -18.0 147 147 A K H X S+ 0 0 96 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.909 113.9 48.4 -58.7 -44.8 15.6 34.7 -21.6 148 148 A D H X S+ 0 0 42 -4,-3.0 4,-0.5 1,-0.2 3,-0.4 0.909 111.3 48.8 -67.6 -43.4 19.3 35.8 -22.1 149 149 A L H ><>S+ 0 0 2 -4,-3.1 5,-1.8 1,-0.2 3,-1.6 0.896 104.2 61.0 -60.3 -41.3 20.5 34.1 -18.9 150 150 A K H ><5S+ 0 0 139 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.863 96.4 61.2 -55.0 -35.1 18.6 30.9 -19.9 151 151 A Q H 3<5S+ 0 0 155 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.753 101.9 51.2 -65.5 -24.3 20.9 30.8 -23.0 152 152 A Y T <<5S- 0 0 72 -3,-1.6 -1,-0.3 -4,-0.5 -48,-0.2 0.391 130.6 -94.3 -93.4 1.9 24.0 30.5 -20.8 153 153 A G T < 5S+ 0 0 25 -3,-1.5 -3,-0.2 -4,-0.4 -52,-0.1 0.529 70.7 153.9 101.4 10.8 22.4 27.7 -18.9 154 154 A F < - 0 0 8 -5,-1.8 2,-0.3 -56,-0.1 -1,-0.3 -0.426 23.1-165.1 -68.0 145.4 20.8 29.5 -15.9 155 155 A K + 0 0 110 -61,-0.4 -57,-0.1 1,-0.1 -116,-0.1 -0.909 58.5 25.5-131.4 158.7 17.8 27.7 -14.4 156 156 A F S S+ 0 0 78 -2,-0.3 2,-0.2 1,-0.1 -114,-0.2 0.756 88.2 112.0 61.2 29.0 14.9 28.6 -12.0 157 157 A L + 0 0 11 -3,-0.1 -7,-0.2 -11,-0.1 -1,-0.1 -0.564 41.0 164.3-131.9 68.5 15.2 32.3 -13.0 158 158 A G > - 0 0 28 -2,-0.2 4,-2.9 -119,-0.1 5,-0.2 -0.127 54.6 -82.2 -75.9-179.9 12.1 33.2 -14.9 159 159 A P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 -20,-0.2 0.875 127.0 44.5 -54.4 -47.2 10.9 36.7 -15.6 160 160 A V H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.935 115.4 48.6 -68.5 -42.5 9.1 37.4 -12.3 161 161 A T H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 111.9 48.9 -59.7 -46.4 12.0 36.0 -10.3 162 162 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.896 108.7 53.9 -62.9 -39.1 14.5 38.0 -12.4 163 163 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.933 108.7 49.2 -59.1 -46.1 12.4 41.2 -11.8 164 164 A S H X S+ 0 0 36 -4,-2.4 4,-2.4 -27,-0.2 -1,-0.2 0.899 109.8 52.3 -57.9 -42.2 12.6 40.5 -8.1 165 165 A F H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 6,-0.3 0.914 105.5 53.8 -60.6 -44.6 16.4 40.1 -8.4 166 166 A L H <>S+ 0 0 0 -4,-2.5 6,-2.2 1,-0.2 5,-1.1 0.916 111.8 45.0 -59.9 -42.3 16.8 43.4 -10.2 167 167 A E H ><5S+ 0 0 16 -4,-2.0 3,-0.7 4,-0.2 -145,-0.6 0.892 114.0 50.3 -63.2 -41.6 14.9 45.2 -7.3 168 168 A A H 3<5S+ 0 0 1 -4,-2.4 -146,-1.0 1,-0.2 -145,-0.5 0.885 112.0 45.9 -65.2 -41.1 16.9 43.3 -4.7 169 169 A A T 3<5S- 0 0 0 -4,-2.8 -144,-2.3 -148,-0.2 -1,-0.2 0.404 113.1-115.4 -84.0 -2.5 20.3 44.1 -6.3 170 170 A G T < 5S+ 0 0 0 -3,-0.7 -3,-0.2 2,-0.4 -4,-0.1 0.512 85.1 120.8 77.6 5.6 19.4 47.8 -6.8 171 171 A L S - 0 0 9 -2,-0.1 3,-2.0 1,-0.1 -46,-0.2 -0.403 31.0-107.4 -72.4 152.9 9.1 54.4 -1.9 177 177 A K T 3 S+ 0 0 135 -48,-2.1 -47,-0.1 1,-0.3 -1,-0.1 0.815 117.9 37.5 -49.8 -43.9 10.0 58.1 -2.2 178 178 A D T 3 S+ 0 0 145 -48,-0.2 -1,-0.3 3,-0.0 -48,-0.1 0.332 83.8 124.1 -96.8 7.5 9.9 58.7 1.6 179 179 A C X - 0 0 9 -3,-2.0 3,-1.9 1,-0.1 -4,-0.0 -0.512 63.2-136.0 -63.5 132.1 11.5 55.4 2.7 180 180 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.570 104.3 55.0 -63.9 -11.9 14.5 56.1 4.9 181 181 A S T 3 S+ 0 0 19 -5,-0.1 -6,-0.1 2,-0.1 -2,-0.1 0.259 73.2 125.3-104.5 7.3 16.4 53.3 2.9 182 182 A K < - 0 0 46 -3,-1.9 -159,-0.1 -6,-0.2 -160,-0.1 -0.546 62.7-126.1 -67.3 121.3 15.8 54.8 -0.5 183 183 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.322 16.0-114.4 -68.5 154.4 19.2 55.1 -2.1 184 184 A K - 0 0 166 -2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.750 31.1-160.1 -84.5 134.8 20.5 58.4 -3.5 185 185 A H 0 0 47 -2,-0.4 -62,-0.0 -62,-0.0 0, 0.0 -0.952 360.0 360.0-118.8 136.2 21.1 58.4 -7.2 186 186 A N 0 0 190 -2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.338 360.0 360.0-117.0 360.0 23.3 60.8 -9.2