==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 15-DEC-95 8ICL . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.PELLETIER,M.R.SAWAYA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.6 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 . 2 0.6 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 1 0 3 2 1 0 1 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 9 A E 0 0 211 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -18.2 67.1 58.2 56.8 2 10 A T + 0 0 123 37,-0.1 4,-0.2 3,-0.1 37,-0.0 0.293 360.0 65.4-162.5 -21.7 67.1 59.3 60.4 3 11 A L S S+ 0 0 56 1,-0.2 42,-0.3 36,-0.1 4,-0.2 0.847 115.2 37.3 -78.3 -32.8 65.0 62.3 60.6 4 12 A N S > S+ 0 0 9 35,-0.2 4,-2.4 37,-0.1 5,-0.2 0.520 90.9 109.4 -96.0 -4.5 62.2 59.9 59.7 5 13 A G H >> S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 3,-0.7 0.830 73.3 40.5 -29.4 -98.7 63.3 56.8 61.7 6 14 A G H 3> S+ 0 0 40 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.742 117.2 53.6 -31.4 -44.6 61.1 56.1 64.7 7 15 A I H 3> S+ 0 0 7 1,-0.2 4,-2.2 -3,-0.2 -1,-0.3 0.987 112.6 42.0 -62.5 -56.0 58.0 56.9 62.5 8 16 A T H X S+ 0 0 100 -4,-2.2 4,-2.8 -5,-0.2 3,-1.1 0.984 110.4 43.3 -66.7 -52.2 60.0 51.9 62.3 10 18 A M H 3X S+ 0 0 5 -4,-2.2 4,-3.6 1,-0.3 -2,-0.2 0.862 111.7 58.3 -53.8 -42.4 56.7 51.8 64.2 11 19 A L H 3X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.3 0.749 108.9 44.5 -58.2 -31.1 55.0 52.0 60.7 12 20 A T H S+ 0 0 33 -4,-2.5 5,-1.6 -5,-0.2 -1,-0.2 0.902 109.0 48.0 -56.0 -45.8 51.8 42.7 62.5 18 26 A E H <5S+ 0 0 10 -4,-1.7 6,-1.1 -5,-0.2 4,-0.4 0.995 111.7 48.4 -61.7 -56.9 49.0 42.9 60.1 19 27 A K H <5S+ 0 0 92 -4,-2.3 -2,-0.2 5,-0.2 -1,-0.2 0.830 125.6 28.0 -49.4 -41.9 50.5 40.8 57.5 20 28 A N T <5S+ 0 0 15 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.933 127.0 28.8 -84.9 -89.1 51.4 38.0 60.1 21 29 A V T 5S+ 0 0 30 -5,-0.1 -3,-0.2 -4,-0.1 2,-0.1 0.840 130.7 32.3 -41.3 -49.2 49.2 37.8 63.1 22 30 A S S + 0 0 23 -6,-1.1 4,-4.4 1,-0.2 5,-0.4 -0.579 18.2 168.8-109.8 75.1 45.4 42.1 56.5 25 33 A I H > S+ 0 0 101 -2,-0.7 4,-3.8 1,-0.2 5,-0.2 0.908 79.1 46.3 -46.1 -54.8 47.3 42.4 53.4 26 34 A H H > S+ 0 0 148 2,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.920 114.1 45.4 -58.1 -51.8 45.9 45.8 52.6 27 35 A K H > S+ 0 0 115 1,-0.3 4,-2.8 2,-0.3 -1,-0.2 0.928 120.3 44.1 -57.5 -44.6 46.4 47.3 56.0 28 36 A Y H X S+ 0 0 42 -4,-4.4 4,-1.1 1,-0.3 -2,-0.3 0.879 112.7 48.2 -66.2 -38.5 49.6 45.8 55.9 29 37 A N H X S+ 0 0 81 -4,-3.8 4,-1.2 -5,-0.4 -2,-0.3 0.812 110.8 56.6 -70.4 -26.3 50.2 46.9 52.4 30 38 A A H >X S+ 0 0 30 -4,-2.9 4,-2.0 -5,-0.2 3,-0.5 0.967 100.1 54.6 -66.6 -59.3 49.0 50.2 53.6 31 39 A Y H 3X S+ 0 0 15 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.749 107.2 53.2 -48.2 -32.1 51.5 50.6 56.3 32 40 A R H 3X S+ 0 0 137 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.884 103.8 47.7 -79.9 -39.3 54.3 50.1 54.0 33 41 A K H S- 0 0 42 1,-0.2 4,-2.5 22,-0.0 -1,-0.2 -0.995 70.9-100.4-167.5 166.5 52.7 66.4 63.0 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.2 1,-0.2 3,-1.0 0.971 119.0 46.6 -47.2 -72.3 50.0 64.2 61.7 49 57 A A H 3> S+ 0 0 59 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.763 107.7 57.6 -40.6 -43.3 48.6 66.6 59.3 50 58 A E H >4 S+ 0 0 38 2,-0.2 3,-0.6 1,-0.2 -1,-0.3 0.948 114.5 37.6 -59.7 -47.6 52.0 67.4 58.1 51 59 A A H X< S+ 0 0 0 -4,-2.5 3,-4.5 -3,-1.0 -2,-0.2 0.960 107.4 66.9 -59.8 -56.0 52.5 63.7 57.3 52 60 A K H 3< S+ 0 0 95 -4,-3.2 5,-0.3 1,-0.4 -1,-0.2 0.633 85.4 71.4 -35.7 -32.8 48.9 63.4 56.2 53 61 A K T << S+ 0 0 155 -4,-1.3 -1,-0.4 -3,-0.6 -2,-0.2 0.599 84.4 100.1 -66.4 -12.4 49.6 65.6 53.3 54 62 A L S X S- 0 0 32 -3,-4.5 3,-1.0 -5,-0.1 2,-0.4 -0.301 85.9-105.7 -76.2 166.7 51.5 62.7 52.0 55 63 A P T 3 S+ 0 0 95 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.698 111.9 25.5 -84.3 135.9 50.4 60.3 49.4 56 64 A G T 3 S+ 0 0 30 -2,-0.4 2,-0.9 1,-0.2 -22,-0.2 0.354 96.6 119.9 86.8 -7.8 49.5 57.1 51.0 57 65 A V < + 0 0 9 -3,-1.0 -1,-0.2 -5,-0.3 2,-0.1 -0.775 38.5 178.2-102.7 109.4 48.8 58.9 54.3 58 66 A G > - 0 0 26 -2,-0.9 4,-1.8 -3,-0.1 5,-0.1 -0.266 47.3 -97.2 -91.8-177.1 45.4 58.6 55.6 59 67 A T H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.778 119.1 61.3 -69.1 -28.7 43.8 59.8 58.6 60 68 A K H > S+ 0 0 129 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.896 108.8 36.8 -64.8 -48.0 44.5 56.5 60.2 61 69 A I H > S+ 0 0 13 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.837 114.3 58.1 -72.8 -39.1 48.1 56.5 60.1 62 70 A A H X S+ 0 0 9 -4,-1.8 4,-2.7 1,-0.3 -2,-0.2 0.949 102.4 56.0 -53.0 -52.2 48.2 60.2 60.7 63 71 A E H X S+ 0 0 128 -4,-2.3 4,-1.8 1,-0.3 -1,-0.3 0.849 109.6 44.2 -50.0 -41.1 46.4 59.5 63.8 64 72 A K H X S+ 0 0 34 -4,-0.9 4,-2.2 1,-0.2 -1,-0.3 0.915 107.4 58.8 -74.0 -40.5 49.0 57.1 64.9 65 73 A I H X S+ 0 0 0 -4,-3.4 4,-2.3 2,-0.2 -2,-0.2 0.882 105.4 50.9 -56.8 -37.9 51.8 59.4 63.9 66 74 A D H >X S+ 0 0 74 -4,-2.7 4,-3.5 1,-0.2 3,-0.6 0.998 108.7 49.2 -63.1 -59.7 50.4 62.0 66.3 67 75 A E H 3X S+ 0 0 81 -4,-1.8 4,-2.2 1,-0.3 6,-0.4 0.773 113.3 48.6 -46.3 -33.3 50.2 59.7 69.3 68 76 A F H 3< S+ 0 0 47 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.921 114.0 44.7 -75.6 -40.8 53.7 58.6 68.6 69 77 A L H << S+ 0 0 66 -4,-2.3 -2,-0.2 -3,-0.6 -3,-0.2 0.950 115.1 49.9 -63.9 -48.6 55.0 62.2 68.3 70 78 A A H < S+ 0 0 83 -4,-3.5 2,-0.4 -5,-0.2 -2,-0.2 0.927 125.5 17.9 -53.8 -57.3 53.0 63.2 71.3 71 79 A T S < S- 0 0 70 -4,-2.2 2,-2.5 2,-0.3 -1,-0.2 -0.987 85.4-111.6-125.6 130.0 54.3 60.3 73.6 72 80 A G S S+ 0 0 75 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.1 0.347 96.5 43.4 -41.0 10.1 57.4 58.2 73.0 73 81 A K - 0 0 115 -2,-2.5 -2,-0.3 -6,-0.4 2,-0.3 -0.711 69.5-131.8-141.5-167.1 55.1 55.2 72.4 74 82 A L > - 0 0 2 -2,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.926 16.1-142.9-153.3 126.5 52.0 53.9 70.7 75 83 A R H > S+ 0 0 156 -2,-0.3 4,-4.0 2,-0.2 5,-0.3 0.946 100.7 48.2 -61.4 -54.7 49.3 51.7 72.6 76 84 A K H > S+ 0 0 85 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.863 114.6 49.7 -54.1 -35.5 48.3 49.3 69.9 77 85 A L H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.883 113.6 44.7 -71.2 -36.9 52.0 48.8 69.4 78 86 A E H X S+ 0 0 75 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.892 113.9 49.8 -70.5 -42.9 52.4 48.3 73.1 79 87 A K H X S+ 0 0 119 -4,-4.0 4,-2.5 2,-0.2 3,-0.3 0.897 114.6 43.7 -60.6 -48.4 49.4 46.0 73.2 80 88 A I H < S+ 0 0 28 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.883 109.4 58.1 -64.8 -42.1 50.7 43.9 70.2 81 89 A R H < S+ 0 0 188 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.719 114.2 39.3 -62.0 -24.4 54.3 43.9 71.6 82 90 A Q H < S+ 0 0 140 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.925 87.1 111.1 -90.9 -49.6 52.8 42.2 74.7 83 91 A D X - 0 0 71 -4,-2.5 4,-3.7 1,-0.1 5,-0.2 0.023 52.8-155.3 -36.1 112.7 50.3 39.8 73.2 84 92 A D H > S+ 0 0 107 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.901 91.5 52.8 -62.1 -43.0 51.2 36.3 73.7 85 93 A T H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.972 117.8 38.5 -56.2 -51.8 49.2 35.0 70.7 86 94 A S H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.942 111.6 58.4 -64.1 -40.5 50.8 37.5 68.6 87 95 A S H X S+ 0 0 51 -4,-3.7 4,-0.6 1,-0.2 -1,-0.2 0.868 104.7 54.6 -53.4 -38.5 54.1 37.0 70.2 88 96 A S H >X S+ 0 0 15 -4,-2.5 4,-2.0 1,-0.2 3,-1.1 0.865 100.7 54.0 -66.3 -43.8 54.0 33.4 69.3 89 97 A I H 3X S+ 0 0 5 -4,-1.7 4,-1.3 1,-0.3 -1,-0.2 0.862 102.7 61.6 -60.7 -32.2 53.5 33.8 65.7 90 98 A N H 3< S+ 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.779 111.6 37.4 -58.4 -32.1 56.4 35.9 65.7 91 99 A F H XX S+ 0 0 69 -3,-1.1 3,-2.8 -4,-0.6 4,-0.6 0.871 108.4 54.1 -82.7 -60.9 58.5 33.0 66.9 92 100 A L H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.3 6,-0.2 0.853 98.3 72.4 -49.8 -36.1 57.3 29.8 65.3 93 101 A T T 3< S+ 0 0 39 -4,-1.3 -1,-0.3 -5,-0.4 5,-0.3 0.815 83.6 65.9 -53.0 -32.4 57.8 31.7 62.2 94 102 A R T <4 S+ 0 0 118 -3,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.899 76.5 102.0 -59.8 -39.9 61.6 31.4 62.7 95 103 A V S X< S- 0 0 2 -3,-1.1 3,-3.0 -4,-0.6 2,-0.5 -0.146 88.7-106.0 -48.9 125.4 61.5 27.7 62.2 96 104 A S T 3 S+ 0 0 35 1,-0.3 35,-0.4 35,-0.2 36,-0.2 -0.406 107.5 19.7 -61.2 112.4 62.6 26.9 58.7 97 105 A G T 3 S+ 0 0 35 -2,-0.5 2,-0.8 1,-0.3 -1,-0.3 0.254 96.4 113.9 112.6 -6.2 59.6 25.9 56.8 98 106 A I < + 0 0 8 -3,-3.0 -1,-0.3 -5,-0.3 0, 0.0 -0.884 40.8 176.6-103.7 113.6 57.2 27.6 59.1 99 107 A G > - 0 0 32 -2,-0.8 4,-1.5 -3,-0.1 -4,-0.1 -0.202 47.1 -89.9 -94.7-169.7 55.4 30.4 57.5 100 108 A P H > S+ 0 0 39 0, 0.0 4,-3.2 0, 0.0 5,-0.1 0.708 122.2 58.3 -76.3 -29.8 52.7 32.6 59.0 101 109 A S H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.980 113.3 38.1 -64.3 -57.2 49.9 30.5 57.8 102 110 A A H > S+ 0 0 16 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.881 112.6 60.0 -59.6 -38.2 51.2 27.6 59.6 103 111 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.945 107.9 44.9 -56.4 -47.3 52.2 29.8 62.4 104 112 A R H X S+ 0 0 51 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.924 112.6 49.9 -61.1 -48.8 48.7 30.8 62.9 105 113 A K H X S+ 0 0 99 -4,-2.5 4,-1.6 2,-0.2 6,-0.2 0.912 111.2 48.6 -57.7 -46.9 47.3 27.3 62.6 106 114 A F H X>S+ 0 0 0 -4,-3.3 5,-3.3 1,-0.3 4,-0.7 0.934 110.0 53.3 -60.0 -41.1 49.9 25.8 65.2 107 115 A V H ><5S+ 0 0 3 -4,-1.8 3,-0.7 -5,-0.4 -1,-0.3 0.891 105.0 54.4 -59.8 -38.7 49.1 28.5 67.5 108 116 A D H 3<5S+ 0 0 122 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.804 107.2 49.1 -67.6 -28.5 45.5 27.7 67.3 109 117 A E H 3<5S- 0 0 118 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.520 126.5-101.3 -85.9 -6.2 46.0 24.2 68.2 110 118 A G T <<5S+ 0 0 35 -4,-0.7 2,-1.1 -3,-0.7 3,-0.3 0.513 77.3 136.7 101.8 5.6 48.1 25.4 71.1 111 119 A I < + 0 0 5 -5,-3.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.737 18.1 144.5 -85.5 108.2 51.6 24.8 69.8 112 120 A K + 0 0 75 -2,-1.1 -1,-0.2 -3,-0.1 -20,-0.2 0.816 50.6 47.8-104.3 -58.7 53.2 28.0 70.9 113 121 A T S > S- 0 0 58 -3,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.133 82.7-109.3 -81.9 173.1 56.6 27.1 71.9 114 122 A L H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.936 120.8 52.3 -63.5 -48.5 59.5 25.2 70.5 115 123 A E H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 107.0 54.3 -55.8 -44.9 59.0 22.4 73.0 116 124 A D H > S+ 0 0 43 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.918 105.0 55.0 -53.6 -47.6 55.5 22.3 72.0 117 125 A L H < S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -1,-0.3 0.886 105.8 50.2 -54.8 -43.8 56.7 21.8 68.5 118 126 A R H >< S+ 0 0 124 -4,-2.1 3,-2.9 1,-0.2 4,-0.2 0.966 105.0 55.7 -60.7 -49.8 58.8 18.9 69.4 119 127 A K H 3< S+ 0 0 161 -4,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.735 117.4 38.2 -51.9 -28.0 56.0 17.0 71.3 120 128 A N T >X S+ 0 0 38 -4,-1.1 3,-2.2 -3,-0.5 4,-0.5 -0.128 71.6 134.7-118.1 36.6 54.0 17.4 68.1 121 129 A E G X4 + 0 0 97 -3,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.751 65.2 71.9 -55.7 -22.1 56.8 16.8 65.9 122 130 A D G 34 S+ 0 0 114 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.867 91.0 55.4 -62.3 -35.2 54.4 14.5 64.2 123 131 A K G <4 S+ 0 0 81 -3,-2.2 2,-0.3 -6,-0.2 -1,-0.2 0.616 92.6 90.0 -72.7 -14.5 52.3 17.5 62.8 124 132 A L S << S- 0 0 3 -3,-1.0 2,-0.0 -4,-0.5 5,-0.0 -0.689 73.0-135.4 -86.2 138.2 55.4 19.0 61.2 125 133 A N > - 0 0 83 -2,-0.3 4,-2.1 -28,-0.1 5,-0.2 -0.208 37.7 -85.2 -82.6-179.8 56.3 18.1 57.7 126 134 A H H > S+ 0 0 113 2,-0.2 4,-2.8 1,-0.2 3,-0.3 0.904 126.7 45.3 -47.9 -60.4 59.8 17.2 56.5 127 135 A H H > S+ 0 0 43 1,-0.3 4,-2.8 2,-0.2 3,-0.5 0.959 116.2 45.8 -49.7 -62.3 61.0 20.6 55.9 128 136 A Q H > S+ 0 0 11 1,-0.3 4,-2.5 -31,-0.2 -1,-0.3 0.743 110.6 56.7 -53.3 -27.5 59.6 21.9 59.1 129 137 A R H X S+ 0 0 99 -4,-2.1 4,-2.6 -3,-0.3 -1,-0.3 0.934 108.1 44.8 -70.1 -45.2 61.1 18.9 60.8 130 138 A I H X S+ 0 0 7 -4,-2.8 4,-2.9 -3,-0.5 -2,-0.2 0.885 110.9 56.7 -63.4 -36.9 64.4 19.7 59.6 131 139 A G H < S+ 0 0 1 -4,-2.8 -35,-0.2 -35,-0.4 -2,-0.2 0.949 109.5 43.0 -57.6 -53.0 63.8 23.2 60.6 132 140 A L H >< S+ 0 0 13 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.868 112.2 57.8 -61.6 -37.7 63.0 22.2 64.1 133 141 A K H 3< S+ 0 0 138 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.965 117.3 28.7 -57.6 -57.5 65.9 19.9 64.0 134 142 A Y T 3X S+ 0 0 18 -4,-2.9 4,-3.0 1,-0.2 -1,-0.3 0.002 79.4 132.8 -93.6 24.2 68.5 22.5 63.2 135 143 A F H <> S+ 0 0 28 -3,-1.0 4,-0.7 2,-0.2 -1,-0.2 0.852 74.9 42.4 -40.5 -55.2 66.8 25.4 64.9 136 144 A G H >> S+ 0 0 39 -3,-0.3 3,-2.7 -4,-0.2 4,-0.8 0.990 118.8 42.0 -59.2 -72.8 69.9 26.6 66.7 137 145 A D H 34 S+ 0 0 33 1,-0.3 -1,-0.2 2,-0.2 3,-0.2 0.761 105.3 67.3 -49.4 -26.2 72.4 26.1 63.8 138 146 A F H 3< S+ 0 0 39 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.835 103.7 45.8 -67.0 -20.8 69.8 27.6 61.4 139 147 A E H << S+ 0 0 100 -3,-2.7 -1,-0.2 -4,-0.7 -2,-0.2 0.646 90.1 100.7 -88.5 -23.5 70.3 30.8 63.2 140 148 A K S < S- 0 0 110 -4,-0.8 2,-0.2 -3,-0.2 -4,-0.0 -0.388 71.6-124.7 -70.5 141.7 74.0 31.0 63.4 141 149 A R - 0 0 144 -2,-0.1 40,-0.2 1,-0.1 -1,-0.1 -0.554 28.9-117.0 -79.3 150.4 76.0 33.1 60.9 142 150 A I E -A 180 0A 1 38,-4.4 38,-1.0 -2,-0.2 2,-0.3 -0.767 21.7-128.6 -93.1 127.9 78.7 31.3 58.9 143 151 A P E >> -A 179 0A 38 0, 0.0 4,-2.6 0, 0.0 3,-1.9 -0.614 10.8-134.1 -78.3 138.1 82.3 32.3 59.4 144 152 A R H 3> S+ 0 0 65 34,-2.0 4,-2.2 -2,-0.3 5,-0.2 0.735 110.0 68.5 -54.1 -26.2 84.1 33.1 56.1 145 153 A E H 3> S+ 0 0 128 33,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.935 112.5 30.1 -56.2 -45.9 86.8 31.0 57.7 146 154 A E H <> S+ 0 0 26 -3,-1.9 4,-3.1 2,-0.2 -2,-0.3 0.718 111.3 67.4 -78.6 -34.7 84.3 28.1 57.3 147 155 A M H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.850 102.3 48.9 -54.7 -37.1 82.8 29.7 54.2 148 156 A L H X S+ 0 0 72 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.825 109.0 50.9 -70.6 -42.0 86.2 29.0 52.6 149 157 A Q H X S+ 0 0 62 -4,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.918 110.6 48.8 -66.4 -42.8 86.3 25.4 53.7 150 158 A M H >X S+ 0 0 2 -4,-3.1 4,-2.7 1,-0.2 3,-0.5 0.980 111.1 49.1 -59.1 -56.6 82.9 24.7 52.3 151 159 A Q H 3X S+ 0 0 58 -4,-2.0 4,-2.5 1,-0.3 5,-0.4 0.877 106.4 58.6 -48.9 -42.2 83.7 26.3 49.1 152 160 A D H 3X S+ 0 0 87 -4,-2.2 4,-1.5 1,-0.2 -1,-0.3 0.929 110.4 42.5 -55.8 -43.7 86.8 24.2 48.9 153 161 A I H + 0 0 2 14,-2.0 4,-0.6 -2,-1.1 14,-0.3 0.215 33.3 65.7 -85.7-147.3 77.7 33.8 44.9 171 179 A G H >> S- 0 0 16 2,-0.2 3,-0.8 1,-0.2 4,-0.8 -0.046 106.2 -35.5 67.7-164.8 76.4 36.0 47.7 172 180 A S H 34>S+ 0 0 28 1,-0.3 5,-1.0 2,-0.2 3,-0.4 0.830 131.7 65.1 -62.3 -34.7 78.2 38.2 50.4 173 181 A F H >45S+ 0 0 11 1,-0.3 3,-0.9 -3,-0.2 -1,-0.3 0.862 101.2 50.3 -54.4 -38.1 80.8 35.6 50.7 174 182 A R H <<5S+ 0 0 49 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.761 106.3 57.7 -68.2 -32.2 81.6 36.6 47.1 175 183 A R T 3<5S- 0 0 70 -4,-0.8 2,-1.2 -3,-0.4 -1,-0.3 -0.182 124.5-101.0 -90.8 34.2 81.6 40.2 48.3 176 184 A G T < 5 + 0 0 32 -3,-0.9 -3,-0.2 1,-0.2 -4,-0.1 -0.011 60.7 175.7 73.7 -36.3 84.3 39.6 50.9 177 185 A A < - 0 0 25 -2,-1.2 -1,-0.2 -5,-1.0 -33,-0.1 0.465 33.6-138.7 -7.8 117.1 81.6 39.4 53.7 178 186 A E S S+ 0 0 153 -3,-0.1 -34,-2.0 -35,-0.1 -33,-0.3 0.839 88.1 12.2 -56.9 -33.0 83.2 38.5 57.0 179 187 A S E S-A 143 0A 46 -36,-0.2 2,-0.3 -35,-0.1 -38,-0.0 -0.780 70.2-160.0-134.2 176.2 80.3 36.3 57.6 180 188 A S E -A 142 0A 2 -38,-1.0 -38,-4.4 -2,-0.3 3,-0.1 -0.951 19.5-137.9-158.2 154.5 77.5 35.0 55.6 181 189 A G S S- 0 0 35 1,-0.3 65,-0.3 -2,-0.3 2,-0.3 0.610 80.6 -13.1 -91.7 -20.5 74.0 33.5 56.4 182 190 A D S S- 0 0 65 -40,-0.1 -1,-0.3 63,-0.1 2,-0.3 -0.912 71.2 -97.8-177.0 149.5 74.0 30.6 54.0 183 191 A M E - c 0 247B 2 63,-1.4 65,-2.0 -2,-0.3 2,-0.5 -0.587 28.6-169.2 -81.4 138.1 75.8 29.2 51.0 184 192 A D E - c 0 248B 27 -2,-0.3 -14,-2.0 -14,-0.3 2,-0.6 -0.966 4.6-167.3-124.6 115.1 74.5 29.8 47.3 185 193 A V E -Bc 169 249B 2 63,-3.4 65,-1.8 -2,-0.5 2,-0.8 -0.906 7.6-152.1-108.1 125.7 76.1 27.9 44.7 186 194 A L E -Bc 168 250B 3 -18,-2.3 -18,-1.0 -2,-0.6 2,-0.4 -0.789 20.5-168.2 -95.9 113.0 75.5 28.8 41.0 187 195 A L E +Bc 167 251B 2 63,-3.0 65,-2.3 -2,-0.8 2,-0.3 -0.769 18.5 147.7-110.4 151.3 75.7 26.1 38.7 188 196 A T E -Bc 166 252B 0 -22,-1.6 -22,-2.2 -2,-0.4 5,-0.1 -0.978 20.1-158.8-165.2 154.0 75.9 25.6 35.1 189 197 A H E > - c 0 253B 16 63,-0.8 3,-1.5 -2,-0.3 65,-1.0 -0.957 31.7-115.1-137.3 154.0 77.4 23.4 32.6 190 198 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 0.735 112.5 60.4 -58.3 -31.4 78.1 23.9 28.9 191 199 A S T 3 S+ 0 0 62 1,-0.1 2,-0.4 63,-0.0 -27,-0.0 0.203 96.8 73.1 -84.3 18.2 75.7 21.3 27.8 192 200 A F < + 0 0 14 -3,-1.5 62,-4.7 60,-0.2 63,-0.4 -0.970 59.8 136.6-136.9 116.5 72.8 23.3 29.4 193 201 A T - 0 0 34 60,-0.4 5,-0.3 -2,-0.4 61,-0.1 -0.948 66.3 -64.7-152.6 166.7 71.4 26.5 27.9 194 202 A S S S+ 0 0 68 -2,-0.3 4,-0.0 1,-0.2 62,-0.0 0.581 128.4 18.4 -17.5 -53.0 68.2 28.5 27.1 195 203 A E S S+ 0 0 149 2,-0.1 -1,-0.2 3,-0.0 3,-0.2 0.919 89.3 103.2 -93.0 -65.8 67.1 25.9 24.5 196 204 A S S S- 0 0 46 1,-0.2 2,-1.6 3,-0.0 -3,-0.4 0.048 86.4-111.2 -30.3 94.4 68.8 22.4 24.9 197 205 A T - 0 0 133 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 -0.014 54.4 -83.5 -37.5 70.3 66.0 20.6 26.6 198 206 A K - 0 0 105 -2,-1.6 -5,-0.1 -5,-0.3 -3,-0.0 0.161 24.7-144.4 58.1-179.5 67.3 20.1 30.1 199 207 A Q >> - 0 0 91 25,-0.2 3,-1.2 -7,-0.1 4,-0.6 -0.287 16.6-177.3 171.5 75.8 69.5 17.5 31.7 200 208 A P H >> S+ 0 0 49 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.828 80.3 64.4 -55.7 -38.1 68.1 17.0 35.1 201 209 A K H 3> S+ 0 0 127 1,-0.3 4,-5.3 2,-0.2 5,-0.3 0.849 86.3 75.3 -56.1 -34.5 70.9 14.6 36.0 202 210 A L H <> S+ 0 0 2 -3,-1.2 4,-0.9 1,-0.2 -1,-0.3 0.876 106.8 32.4 -44.1 -49.6 73.2 17.6 35.6 203 211 A L H S+ 0 0 2 -4,-2.8 5,-2.6 1,-0.3 6,-1.9 0.835 117.8 39.8 -56.4 -36.7 78.1 16.1 47.7 211 219 A Q H ><5S+ 0 0 71 -4,-2.1 3,-1.5 -3,-0.5 -1,-0.3 0.871 106.6 70.4 -78.5 -31.7 76.0 13.9 49.9 212 220 A K H 3<5S+ 0 0 148 -4,-4.3 -2,-0.2 1,-0.3 -3,-0.2 0.909 105.6 35.4 -43.8 -60.3 78.2 11.0 48.8 213 221 A V T 3<5S- 0 0 59 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.426 123.8-103.6 -77.3 0.1 81.1 12.3 50.7 214 222 A H T < 5S+ 0 0 143 -3,-1.5 18,-0.2 -5,-0.3 -3,-0.2 0.746 88.8 116.5 87.6 23.6 78.8 13.6 53.5 215 223 A F S -c 189 0B 18 0, 0.0 3,-0.7 0, 0.0 4,-0.4 -0.572 37.8-127.6 -64.9 120.3 71.7 27.3 31.3 254 262 A K T 3 S+ 0 0 61 -62,-4.7 3,-0.3 -65,-1.0 4,-0.3 0.661 104.2 73.8 -47.3 -14.7 75.3 28.3 30.6 255 263 A D T 3 S+ 0 0 65 -63,-0.4 -1,-0.3 1,-0.2 50,-0.1 -0.007 104.9 31.2 -93.7 39.7 73.9 31.0 28.4 256 264 A Q S <> S+ 0 0 41 -3,-0.7 4,-2.6 -4,-0.1 3,-0.5 0.340 81.2 112.6-166.9 -1.0 72.8 33.1 31.4 257 265 A Y H > S+ 0 0 2 -4,-0.4 4,-5.6 -3,-0.3 5,-0.4 0.943 75.1 50.9 -48.6 -66.7 75.2 32.4 34.1 258 266 A Y H > S+ 0 0 38 -4,-0.3 4,-2.4 2,-0.3 5,-0.2 0.775 112.4 45.0 -49.3 -33.4 76.9 35.8 34.3 259 267 A C H > S+ 0 0 5 -3,-0.5 4,-4.4 29,-0.3 -1,-0.2 0.981 118.6 44.8 -69.8 -51.2 73.8 37.8 34.6 260 268 A G H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.3 5,-0.3 0.928 116.3 46.8 -51.0 -49.5 72.6 35.3 37.1 261 269 A V H X S+ 0 0 1 -4,-5.6 4,-1.7 -5,-0.2 -1,-0.3 0.888 113.4 48.6 -63.3 -35.2 76.0 35.4 38.7 262 270 A L H X S+ 0 0 4 -4,-2.4 4,-1.4 -5,-0.4 -2,-0.2 0.974 110.1 53.3 -63.4 -51.4 76.0 39.1 38.6 263 271 A Y H < S+ 0 0 65 -4,-4.4 3,-0.5 -5,-0.2 -2,-0.2 0.880 108.5 43.7 -51.0 -52.3 72.7 39.2 40.0 264 272 A F H < S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.859 105.8 62.3 -69.3 -32.0 73.1 37.0 43.1 265 273 A T H < S+ 0 0 1 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.792 89.1 133.4 -61.8 -27.9 76.4 38.6 44.0 266 274 A G < - 0 0 4 -4,-1.4 2,-0.2 -3,-0.5 -1,-0.2 -0.282 60.9-147.5 58.5-140.5 74.4 41.8 44.3 267 275 A S > - 0 0 6 59,-0.3 4,-2.2 -3,-0.1 -1,-0.1 0.691 35.8-120.4 -71.4 172.8 74.5 43.8 46.6 268 276 A D H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.882 116.8 41.7 -47.2 -44.9 70.9 44.8 46.4 269 277 A I H > S+ 0 0 67 57,-0.3 4,-3.3 2,-0.2 5,-0.4 0.960 107.2 58.4 -68.4 -51.9 72.0 48.3 45.8 270 278 A F H > S+ 0 0 0 55,-0.5 4,-2.4 56,-0.3 -1,-0.2 0.804 110.0 53.0 -46.1 -31.1 74.9 47.3 43.4 271 279 A N H X S+ 0 0 11 -4,-2.2 4,-4.0 2,-0.2 -2,-0.2 1.000 110.0 37.5 -67.4 -72.7 72.1 45.8 41.5 272 280 A K H X S+ 0 0 138 -4,-2.1 4,-4.8 1,-0.3 5,-0.3 0.876 119.3 52.0 -50.8 -41.6 69.6 48.5 41.1 273 281 A N H X S+ 0 0 89 -4,-3.3 4,-2.0 2,-0.3 -1,-0.3 0.972 114.3 40.2 -62.8 -50.2 72.3 50.9 40.6 274 282 A M H X S+ 0 0 3 -4,-2.4 4,-1.8 -5,-0.4 -2,-0.2 0.874 117.7 55.5 -63.9 -29.1 73.9 48.8 38.0 275 283 A R H X S+ 0 0 69 -4,-4.0 4,-0.5 -6,-0.3 -2,-0.3 0.933 104.9 46.1 -66.9 -47.9 70.4 48.3 37.0 276 284 A A H >X S+ 0 0 61 -4,-4.8 3,-0.6 1,-0.2 4,-0.6 0.863 112.5 54.4 -65.0 -32.9 69.4 51.9 36.5 277 285 A H H >X S+ 0 0 41 -4,-2.0 4,-2.1 -5,-0.3 3,-0.9 0.868 96.3 59.9 -65.0 -45.1 72.6 52.6 34.6 278 286 A A H 3<>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 -1,-0.2 0.669 103.5 62.6 -54.5 -23.1 72.3 49.8 31.8 279 287 A L H X<5S+ 0 0 79 -3,-0.6 3,-0.6 -4,-0.5 -1,-0.2 0.704 104.5 38.3 -70.4 -46.5 69.0 51.9 31.1 280 288 A E H <<5S+ 0 0 142 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.952 111.5 60.0 -75.1 -51.2 70.5 55.2 30.1 281 289 A K T 3<5S- 0 0 99 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.231 131.9 -96.5 -60.3 13.5 73.2 53.4 28.3 282 290 A G T < 5S+ 0 0 26 -3,-0.6 11,-6.0 1,-0.2 -3,-0.3 0.681 84.3 104.4 75.6 31.3 70.4 51.9 26.2 283 291 A F E < -F 292 0C 32 -5,-2.5 2,-0.4 9,-0.3 -1,-0.2 -0.800 55.6-136.1-136.7 178.8 69.7 48.5 28.0 284 292 A T E -F 291 0C 34 7,-1.4 7,-2.1 -2,-0.3 2,-0.4 -0.999 19.5-168.9-135.3 129.6 67.8 46.3 30.2 285 293 A I E +F 290 0C 24 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.973 15.1 152.0-126.4 140.8 69.1 43.9 32.9 286 294 A N E > -F 289 0C 40 3,-1.6 3,-0.9 -2,-0.4 -23,-0.1 -0.945 63.4 -63.7-155.5 166.7 67.4 41.2 34.8 287 295 A E T 3 S+ 0 0 70 -2,-0.3 -23,-0.1 1,-0.2 -24,-0.1 0.585 128.8 19.8 -32.2 -16.7 68.2 37.9 36.6 288 296 A Y T 3 S+ 0 0 128 1,-0.2 2,-0.3 -29,-0.2 -29,-0.3 0.626 117.2 9.3-137.1 -12.5 69.2 36.2 33.2 289 297 A T E < -F 286 0C 17 -3,-0.9 -3,-1.6 -30,-0.1 2,-0.4 -0.919 49.7-123.2-155.8-175.2 70.1 38.6 30.4 290 298 A I E -F 285 0C 0 13,-0.3 13,-4.1 -2,-0.3 -5,-0.2 -0.978 26.5-170.5-144.0 120.0 70.8 41.9 29.0 291 299 A R E -F 284 0C 80 -7,-2.1 -7,-1.4 -2,-0.4 10,-0.1 -0.954 26.3-115.3-121.9 128.8 68.8 43.4 26.1 292 300 A P E -F 283 0C 41 0, 0.0 2,-0.4 0, 0.0 -9,-0.3 -0.350 38.8-110.7 -58.8 132.8 69.5 46.5 24.1 293 301 A L - 0 0 57 -11,-6.0 2,-0.4 5,-0.1 5,-0.1 -0.554 26.3-148.0 -75.2 127.1 66.9 49.1 24.5 294 302 A G > - 0 0 18 -2,-0.4 3,-0.8 1,-0.1 -12,-0.0 -0.756 12.3-134.2 -92.1 137.4 64.7 49.7 21.5 295 303 A V T 3 S+ 0 0 151 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.842 92.4 80.1 -58.4 -41.5 63.5 53.3 21.0 296 304 A T T 3 S- 0 0 131 2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.435 129.4 -80.4 -47.5 -3.8 59.7 52.5 20.3 297 305 A G S < S+ 0 0 52 -3,-0.8 2,-0.2 1,-0.0 -1,-0.1 -0.767 107.0 17.6 135.1 -75.9 59.5 52.1 24.0 298 306 A V - 0 0 111 -2,-0.3 2,-0.3 -5,-0.1 -2,-0.2 -0.637 58.4-177.7-118.1 173.2 60.9 48.7 24.5 299 307 A A - 0 0 36 -2,-0.2 2,-0.1 -4,-0.1 -8,-0.1 -0.962 10.7-149.1-167.2 155.4 62.9 46.1 22.7 300 308 A G + 0 0 32 -2,-0.3 -16,-0.0 -7,-0.1 0, 0.0 -0.343 36.1 125.8-115.5-164.4 64.3 42.5 23.1 301 309 A E - 0 0 145 -2,-0.1 -1,-0.1 -10,-0.1 -8,-0.0 0.756 51.7-127.3 123.0 18.8 67.4 40.6 21.9 302 310 A P - 0 0 64 0, 0.0 -11,-0.2 0, 0.0 -2,-0.0 0.594 25.0-135.0 3.3 98.4 69.6 38.9 24.6 303 311 A L - 0 0 51 -13,-4.1 2,-0.7 1,-0.1 -13,-0.3 -0.414 24.8-100.7 -72.1 154.1 73.2 40.0 24.3 304 312 A P - 0 0 92 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.677 39.6-170.4 -80.6 105.4 76.0 37.4 24.4 305 313 A V + 0 0 22 -2,-0.7 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