==== 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 16-DEC-95 9ICV . 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) . 17941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 70.0 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 . 29 8.9 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 . 3 0.9 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 38.8 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 0 2 1 0 3 2 1 0 1 2 0 0 1 1 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 . 1 1 1 1 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 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 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 0 215 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -20.2 67.2 58.0 56.7 2 10 A T + 0 0 125 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.142 360.0 71.6-164.4 -9.4 67.3 59.1 60.4 3 11 A L S S+ 0 0 58 36,-0.2 42,-0.2 1,-0.1 4,-0.1 0.861 113.9 25.3 -85.7 -35.1 65.0 62.0 60.1 4 12 A N S > S+ 0 0 6 35,-0.2 4,-3.0 1,-0.1 5,-0.3 0.327 92.2 123.9-108.2 8.8 62.0 59.9 59.7 5 13 A G H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.774 73.0 35.9 -29.4 -78.3 63.5 56.8 61.5 6 14 A G H > S+ 0 0 38 2,-0.2 4,-4.1 1,-0.2 5,-0.3 0.887 117.3 57.1 -53.3 -42.4 61.1 55.9 64.3 7 15 A I H > S+ 0 0 5 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.943 112.7 38.5 -56.1 -51.8 58.1 56.9 62.1 8 16 A T H X S+ 0 0 17 -4,-3.0 4,-1.3 1,-0.2 -1,-0.3 0.748 117.6 51.8 -73.1 -21.9 59.1 54.5 59.5 9 17 A D H X S+ 0 0 100 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.913 108.5 47.4 -81.1 -37.1 60.1 52.0 62.1 10 18 A M H X S+ 0 0 5 -4,-4.1 4,-2.5 1,-0.2 -2,-0.2 0.964 112.2 53.4 -61.0 -48.2 56.9 52.1 64.0 11 19 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.794 107.8 49.6 -54.3 -39.0 55.1 51.8 60.7 12 20 A T H X S+ 0 0 53 -4,-1.3 4,-2.8 2,-0.2 5,-0.4 0.940 108.7 51.8 -70.7 -44.6 57.0 48.8 59.7 13 21 A E H X S+ 0 0 96 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.936 113.4 46.2 -53.1 -50.5 56.4 47.1 63.0 14 22 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.913 113.9 48.7 -56.2 -49.4 52.7 47.8 62.5 15 23 A A H >X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 3,-1.5 0.983 109.7 49.4 -55.2 -64.4 52.8 46.5 58.9 16 24 A N H 3X S+ 0 0 84 -4,-2.8 4,-1.5 1,-0.3 5,-0.4 0.754 107.8 57.3 -50.0 -29.2 54.6 43.4 59.7 17 25 A F H 3X>S+ 0 0 37 -4,-1.3 5,-1.0 -5,-0.4 4,-0.8 0.889 103.3 50.5 -76.3 -32.6 52.2 42.7 62.3 18 26 A E H > + 0 0 21 -6,-0.8 4,-3.2 -2,-0.3 3,-0.6 -0.494 16.7 168.3-113.8 59.1 45.3 42.0 56.5 25 33 A I H 3> S+ 0 0 97 -2,-0.3 4,-0.6 1,-0.3 -1,-0.2 0.709 77.6 59.5 -38.6 -31.1 47.4 42.3 53.5 26 34 A H H 3> S+ 0 0 146 2,-0.2 4,-2.1 3,-0.2 -1,-0.3 0.979 111.6 32.5 -68.9 -59.5 45.6 45.6 53.0 27 35 A K H <> S+ 0 0 103 -3,-0.6 4,-3.3 1,-0.3 5,-0.4 0.907 119.6 55.4 -61.3 -42.4 46.6 47.4 56.1 28 36 A Y H X S+ 0 0 29 -4,-3.2 4,-0.8 1,-0.3 -1,-0.3 0.847 109.7 44.1 -58.8 -34.0 49.6 45.6 56.0 29 37 A N H X S+ 0 0 78 -4,-0.6 4,-1.4 -5,-0.5 -1,-0.3 0.817 110.6 58.7 -80.7 -27.8 50.0 47.0 52.6 30 38 A A H >X S+ 0 0 33 -4,-2.1 4,-2.3 1,-0.2 3,-0.9 0.994 103.3 47.7 -59.7 -65.9 48.9 50.4 53.9 31 39 A Y H 3X S+ 0 0 11 -4,-3.3 4,-2.9 1,-0.3 -1,-0.2 0.765 109.3 59.1 -46.1 -34.9 51.6 50.8 56.5 32 40 A R H 3X S+ 0 0 140 -4,-0.8 4,-0.7 -5,-0.4 -1,-0.3 0.887 106.4 39.8 -68.4 -42.7 54.1 49.8 53.9 33 41 A K H X S+ 0 0 34 -4,-2.5 4,-2.3 2,-0.2 3,-0.8 0.880 112.0 55.8 -72.3 -46.6 57.0 57.8 51.5 38 46 A I H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 5,-0.2 0.787 104.5 60.8 -60.2 -21.9 57.5 59.2 54.9 39 47 A A H 34 S+ 0 0 41 -5,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.919 107.0 41.4 -68.9 -38.7 60.9 57.6 54.5 40 48 A K H << S+ 0 0 173 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.846 85.8 115.3 -72.2 -40.0 61.7 59.7 51.4 41 49 A Y < - 0 0 42 -4,-2.3 4,-0.2 1,-0.2 -38,-0.1 -0.194 60.0-149.5 -48.7 113.5 60.3 62.9 52.8 42 50 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.044 68.7 73.1 -70.2 12.5 63.2 65.2 53.2 43 51 A H S S- 0 0 108 -5,-0.2 2,-0.7 -39,-0.0 -40,-0.0 -0.964 89.9 -99.6-137.8 156.3 61.8 67.0 56.1 44 52 A K - 0 0 117 -2,-0.3 2,-0.4 1,-0.1 -40,-0.1 -0.617 39.9-131.6 -74.7 114.4 61.3 66.2 59.8 45 53 A I - 0 0 6 -2,-0.7 3,-0.1 -42,-0.2 -1,-0.1 -0.512 27.1-178.5 -69.1 123.3 57.7 65.3 60.2 46 54 A K + 0 0 148 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.503 58.7 1.8-102.1 -4.3 56.5 67.4 63.1 47 55 A S S > S- 0 0 34 1,-0.1 4,-1.7 22,-0.0 -1,-0.2 -0.995 72.3 -98.4-170.5 167.3 52.9 66.2 63.2 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.6 1,-0.2 3,-0.8 0.970 116.7 53.9 -60.8 -52.3 50.3 63.9 61.8 49 57 A A H 3> S+ 0 0 70 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.834 106.5 52.9 -53.0 -34.3 48.7 66.6 59.7 50 58 A E H 34 S+ 0 0 39 2,-0.2 3,-0.3 1,-0.2 -1,-0.3 0.872 114.5 41.7 -67.2 -38.4 52.0 67.3 58.1 51 59 A A H X< S+ 0 0 0 -4,-1.7 3,-3.5 -3,-0.8 6,-0.2 0.920 103.7 68.7 -67.3 -50.3 52.4 63.7 57.3 52 60 A K H 3< S+ 0 0 89 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.613 84.2 69.1 -39.8 -35.0 48.9 63.4 56.3 53 61 A K T 3< S+ 0 0 159 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.569 85.3 104.1 -66.3 -13.1 49.5 65.5 53.3 54 62 A L S X S- 0 0 30 -3,-3.5 3,-1.1 1,-0.1 2,-0.5 -0.371 86.0-102.7 -76.6 155.3 51.5 62.6 52.0 55 63 A P T 3 S+ 0 0 97 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.620 110.9 18.6 -74.7 121.2 50.4 60.2 49.4 56 64 A G T 3 S+ 0 0 36 -2,-0.5 2,-1.0 1,-0.2 -22,-0.2 0.093 98.5 112.0 99.5 -18.2 49.3 57.0 51.3 57 65 A V < + 0 0 7 -3,-1.1 -1,-0.2 -6,-0.2 2,-0.2 -0.698 40.4 165.5 -98.3 113.8 48.9 58.7 54.5 58 66 A G > - 0 0 28 -2,-1.0 4,-1.9 -3,-0.1 3,-0.2 -0.453 54.9 -75.6-105.1-174.1 45.5 58.9 55.6 59 67 A T H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.717 120.8 59.3 -55.4 -35.5 43.9 59.7 58.8 60 68 A K H > S+ 0 0 135 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.944 111.4 37.8 -62.5 -52.9 44.7 56.3 60.5 61 69 A I H > S+ 0 0 11 2,-0.2 4,-3.9 1,-0.2 3,-0.2 0.897 111.3 61.5 -63.2 -42.6 48.4 56.4 60.2 62 70 A A H X S+ 0 0 10 -4,-1.9 4,-2.8 1,-0.3 -1,-0.2 0.909 103.7 51.7 -49.8 -44.4 48.4 60.2 60.9 63 71 A E H X S+ 0 0 126 -4,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.899 109.3 47.5 -64.3 -38.6 46.9 59.4 64.2 64 72 A K H X S+ 0 0 29 -4,-1.3 4,-2.5 -3,-0.2 5,-0.2 0.947 109.1 55.3 -68.6 -42.6 49.5 56.9 64.9 65 73 A I H X S+ 0 0 0 -4,-3.9 4,-2.4 2,-0.2 5,-0.2 0.917 107.1 50.6 -55.0 -44.4 52.1 59.4 63.9 66 74 A D H >X S+ 0 0 67 -4,-2.8 4,-4.0 2,-0.2 3,-0.7 0.981 110.5 46.7 -57.6 -60.2 50.7 61.9 66.4 67 75 A E H 3X S+ 0 0 76 -4,-1.9 4,-1.3 1,-0.3 6,-0.6 0.845 114.5 49.2 -48.6 -41.5 50.7 59.6 69.4 68 76 A F H 3< S+ 0 0 48 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.926 114.6 42.2 -70.6 -37.9 54.1 58.5 68.6 69 77 A L H << S+ 0 0 60 -4,-2.4 -2,-0.2 -3,-0.7 -3,-0.2 0.948 118.0 48.5 -69.6 -48.7 55.5 62.0 68.2 70 78 A A H < S+ 0 0 83 -4,-4.0 2,-0.4 -5,-0.2 -3,-0.2 0.975 126.7 17.4 -54.0 -80.2 53.7 63.1 71.2 71 79 A T S < S- 0 0 70 -4,-1.3 2,-2.6 2,-0.2 -1,-0.2 -0.784 90.7-113.8 -93.9 132.9 54.6 60.3 73.7 72 80 A G S S+ 0 0 73 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.1 0.265 93.0 49.9 -53.1 23.7 57.7 58.3 72.6 73 81 A K S S- 0 0 100 -2,-2.6 2,-0.3 -6,-0.6 -2,-0.2 -0.680 71.5-127.2-141.7-163.3 55.4 55.2 72.2 74 82 A L > - 0 0 3 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.983 13.5-139.5-150.7 139.1 52.3 53.8 70.7 75 83 A R H > S+ 0 0 158 -2,-0.3 4,-3.6 2,-0.2 -1,-0.1 0.995 104.4 46.0 -68.2 -55.6 49.4 51.8 72.4 76 84 A K H > S+ 0 0 84 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.886 114.8 50.6 -51.9 -41.1 48.8 49.3 69.8 77 85 A L H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.929 112.2 45.7 -67.1 -40.2 52.5 48.8 69.6 78 86 A E H X S+ 0 0 78 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.964 115.0 47.9 -65.0 -46.1 52.8 48.4 73.3 79 87 A K H >X S+ 0 0 126 -4,-3.6 4,-1.9 2,-0.2 3,-1.4 0.977 115.0 44.2 -53.2 -66.2 49.8 46.0 73.4 80 88 A I H 3< S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 107.7 57.8 -41.1 -54.8 51.1 43.8 70.4 81 89 A R H 3< S+ 0 0 185 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.803 113.4 40.8 -49.7 -39.1 54.6 43.6 71.7 82 90 A Q H << S+ 0 0 140 -3,-1.4 -2,-0.2 -4,-1.3 -1,-0.2 0.865 88.8 111.2 -79.7 -43.7 53.2 42.1 74.9 83 91 A D X - 0 0 71 -4,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.072 57.0-153.2 -40.8 109.2 50.6 39.8 73.2 84 92 A D H > S+ 0 0 99 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.841 88.8 54.0 -60.9 -32.3 51.6 36.3 73.6 85 93 A T H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.979 112.8 43.1 -65.6 -50.0 49.9 35.0 70.6 86 94 A S H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 112.4 53.2 -62.7 -34.8 51.5 37.4 68.4 87 95 A S H X S+ 0 0 55 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.933 108.5 53.5 -63.9 -40.9 54.8 36.9 70.1 88 96 A S H X S+ 0 0 15 -4,-2.5 4,-2.2 -5,-0.2 3,-0.4 0.874 106.5 48.6 -60.1 -45.5 54.4 33.3 69.5 89 97 A I H X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.892 107.7 56.5 -66.3 -37.1 53.8 33.5 65.8 90 98 A N H < S+ 0 0 63 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.812 111.8 43.1 -63.5 -26.4 56.8 35.7 65.5 91 99 A F H >< S+ 0 0 64 -4,-1.1 3,-2.8 -3,-0.4 -2,-0.2 0.899 107.7 52.8 -81.2 -56.1 58.9 33.1 67.0 92 100 A L H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.3 6,-0.2 0.859 98.7 71.0 -51.5 -34.8 57.7 29.8 65.4 93 101 A T T 3< S+ 0 0 41 -4,-1.4 -1,-0.3 1,-0.3 4,-0.2 0.618 80.7 75.1 -60.8 -11.0 58.3 31.6 62.2 94 102 A R T < S+ 0 0 116 -3,-2.8 2,-0.6 2,-0.1 -1,-0.3 0.546 72.3 97.0 -82.0 -5.6 62.0 31.3 62.8 95 103 A V S X S- 0 0 3 -3,-2.2 3,-3.0 -4,-0.1 2,-0.3 -0.759 89.0-111.2 -87.7 127.2 62.1 27.8 62.0 96 104 A S T 3 S+ 0 0 40 -2,-0.6 35,-0.4 1,-0.3 36,-0.2 -0.488 107.9 25.5 -60.4 117.9 63.1 27.2 58.6 97 105 A G T 3 S+ 0 0 32 -2,-0.3 2,-0.6 1,-0.3 -1,-0.3 0.082 97.0 104.3 113.3 -15.3 60.0 25.9 56.9 98 106 A I < + 0 0 9 -3,-3.0 -1,-0.3 -6,-0.2 -3,-0.1 -0.924 46.0 174.7-102.5 121.1 57.5 27.5 59.2 99 107 A G > - 0 0 29 -2,-0.6 4,-2.3 -3,-0.1 5,-0.1 -0.315 49.1 -84.2-108.1-170.9 55.9 30.5 57.7 100 108 A P H > S+ 0 0 41 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.870 123.1 57.6 -68.7 -39.1 53.1 32.6 59.0 101 109 A S H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.924 114.1 35.8 -58.1 -52.4 50.4 30.4 57.8 102 110 A A H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.886 113.0 61.2 -69.5 -39.2 51.6 27.4 59.6 103 111 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.942 106.4 45.8 -54.8 -47.7 52.7 29.5 62.5 104 112 A R H X S+ 0 0 48 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.933 110.6 54.6 -60.4 -44.0 49.2 30.7 63.1 105 113 A K H X S+ 0 0 105 -4,-1.8 4,-2.0 1,-0.2 5,-0.2 0.901 108.4 46.5 -52.2 -50.4 47.9 27.2 62.8 106 114 A F H X>S+ 0 0 0 -4,-2.2 5,-5.0 1,-0.3 4,-0.6 0.757 110.3 53.7 -61.9 -37.1 50.1 25.7 65.4 107 115 A V H <5S+ 0 0 1 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.927 104.3 55.6 -68.1 -43.2 49.4 28.4 67.7 108 116 A D H <5S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.941 111.6 42.2 -52.6 -50.8 45.8 27.7 67.2 109 117 A E H <5S- 0 0 114 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.644 128.0-104.9 -70.5 -14.8 46.4 24.2 68.3 110 118 A G T <5S+ 0 0 36 -4,-0.6 2,-1.0 1,-0.3 -3,-0.3 0.785 73.0 139.3 99.9 21.6 48.6 25.5 70.9 111 119 A I < + 0 0 6 -5,-5.0 -1,-0.3 1,-0.2 -2,-0.1 -0.875 16.1 143.9 -99.9 103.6 52.2 24.9 69.8 112 120 A K + 0 0 76 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.2 0.566 51.0 59.6-116.5 -17.7 53.8 28.0 70.8 113 121 A T S > S- 0 0 60 -3,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.747 81.4-116.4-115.9 164.6 57.1 26.9 71.9 114 122 A L H > S+ 0 0 29 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.829 118.8 53.5 -61.3 -32.5 60.1 25.0 70.5 115 123 A E H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.895 103.7 55.8 -71.3 -37.2 59.5 22.3 72.9 116 124 A D H > S+ 0 0 40 1,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.919 103.6 57.3 -59.3 -38.6 55.9 22.0 71.7 117 125 A L H >< S+ 0 0 2 -4,-2.1 3,-0.7 1,-0.2 -1,-0.3 0.868 103.4 52.9 -62.4 -34.7 57.4 21.6 68.5 118 126 A R H >< S+ 0 0 120 -4,-1.2 3,-1.8 1,-0.2 -2,-0.2 0.967 105.6 48.1 -68.0 -48.3 59.3 18.7 69.7 119 127 A K H 3< S+ 0 0 152 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.539 117.5 48.2 -67.1 -2.4 56.5 16.6 71.1 120 128 A N T X< + 0 0 36 -3,-0.7 3,-1.9 -4,-0.5 4,-0.3 0.060 61.6 132.7-127.9 29.0 54.7 17.2 68.0 121 129 A E G X + 0 0 97 -3,-1.8 3,-1.0 1,-0.3 -1,-0.1 0.699 68.0 70.7 -52.7 -18.3 57.2 16.5 65.4 122 130 A D G 3 S+ 0 0 118 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.884 90.9 57.0 -66.2 -37.9 54.5 14.5 63.7 123 131 A K G < S+ 0 0 78 -3,-1.9 2,-0.3 -6,-0.1 -1,-0.2 0.482 97.8 86.3 -68.9 -9.2 52.5 17.7 62.8 124 132 A L S < S- 0 0 7 -3,-1.0 5,-0.0 -4,-0.3 2,-0.0 -0.750 71.5-137.5 -99.6 141.1 55.7 18.8 60.9 125 133 A N > - 0 0 80 -2,-0.3 4,-1.5 -28,-0.1 5,-0.2 -0.101 39.9 -86.7 -83.4-174.1 56.8 18.1 57.3 126 134 A H H > S+ 0 0 111 2,-0.2 4,-2.6 3,-0.2 3,-0.5 0.978 125.2 47.1 -61.8 -52.9 60.3 17.2 56.2 127 135 A H H > S+ 0 0 45 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.962 114.9 47.0 -49.3 -60.3 61.6 20.7 55.7 128 136 A Q H > S+ 0 0 13 1,-0.3 4,-1.8 -31,-0.3 -1,-0.3 0.723 108.4 57.6 -55.1 -28.3 60.2 21.8 59.1 129 137 A R H X S+ 0 0 102 -4,-1.5 4,-2.3 -3,-0.5 -1,-0.3 0.949 109.5 42.4 -71.4 -48.1 61.7 18.8 60.7 130 138 A I H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.935 111.4 55.0 -62.6 -42.3 65.1 19.6 59.6 131 139 A G H < S+ 0 0 2 -4,-3.0 -35,-0.2 -35,-0.4 -1,-0.2 0.905 110.8 47.6 -55.3 -39.6 64.6 23.3 60.5 132 140 A L H >< S+ 0 0 12 -4,-1.8 3,-1.0 -5,-0.2 4,-0.2 0.896 109.2 54.3 -67.1 -41.0 63.6 22.2 64.0 133 141 A K H 3< S+ 0 0 132 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.864 119.5 30.0 -61.3 -44.0 66.6 19.9 64.2 134 142 A Y T 3X S+ 0 0 20 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 -0.068 78.4 130.9-109.2 30.3 69.2 22.6 63.3 135 143 A F H <> S+ 0 0 25 -3,-1.0 4,-1.2 2,-0.2 -1,-0.2 0.942 79.2 40.2 -48.0 -54.3 67.3 25.5 64.8 136 144 A G H >> S+ 0 0 40 -4,-0.2 3,-2.0 1,-0.2 4,-0.8 0.996 117.1 47.9 -60.4 -65.9 70.4 26.6 66.7 137 145 A D H 34 S+ 0 0 33 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.755 109.9 54.8 -46.2 -30.9 72.9 25.9 63.9 138 146 A F H 3< S+ 0 0 45 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.813 101.1 56.3 -78.2 -24.8 70.7 27.7 61.4 139 147 A E H << S+ 0 0 98 -3,-2.0 2,-0.3 -4,-1.2 -1,-0.2 0.689 91.2 97.0 -76.0 -16.3 70.6 30.8 63.4 140 148 A K S < S- 0 0 105 -4,-0.8 -4,-0.0 -3,-0.4 -3,-0.0 -0.561 74.8-122.9 -79.0 128.8 74.4 31.1 63.4 141 149 A R - 0 0 146 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.188 29.0-114.3 -63.0 155.7 76.4 33.2 60.9 142 150 A I E -A 180 0A 0 38,-5.5 38,-2.0 40,-0.0 2,-0.3 -0.854 23.3-133.6 -99.8 119.9 79.0 31.4 58.7 143 151 A P E >> -A 179 0A 42 0, 0.0 3,-2.7 0, 0.0 4,-1.6 -0.533 14.4-131.9 -70.4 130.3 82.6 32.5 59.5 144 152 A R H 3> S+ 0 0 61 34,-2.7 4,-2.3 1,-0.3 5,-0.2 0.790 106.7 68.9 -43.9 -39.6 84.4 33.2 56.2 145 153 A E H 3> S+ 0 0 125 33,-0.3 4,-0.5 1,-0.3 -1,-0.3 0.825 106.9 39.8 -49.0 -40.9 87.2 31.1 57.6 146 154 A E H <> S+ 0 0 26 -3,-2.7 4,-2.8 2,-0.2 3,-0.4 0.807 106.2 64.6 -77.5 -39.5 84.8 28.2 57.2 147 155 A M H X S+ 0 0 2 -4,-1.6 4,-2.8 1,-0.3 5,-0.2 0.881 100.7 52.9 -48.9 -45.8 83.4 29.5 53.9 148 156 A L H X S+ 0 0 73 -4,-2.3 4,-1.6 2,-0.2 -1,-0.3 0.791 109.1 48.8 -61.5 -38.1 86.9 28.9 52.4 149 157 A Q H X S+ 0 0 62 -4,-0.5 4,-1.9 -3,-0.4 -2,-0.2 0.947 113.0 46.6 -72.4 -41.1 86.9 25.3 53.6 150 158 A M H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.922 113.3 48.1 -60.4 -46.5 83.5 24.7 52.2 151 159 A Q H X S+ 0 0 63 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.842 107.2 59.1 -61.2 -38.2 84.3 26.3 48.9 152 160 A D H X S+ 0 0 83 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.3 0.914 109.1 42.3 -59.1 -42.9 87.3 24.3 48.9 153 161 A I H X S+ 0 0 37 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.944 110.9 51.3 -71.1 -49.4 85.4 21.1 49.0 154 162 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.898 108.7 53.6 -56.9 -40.7 82.6 21.8 46.7 155 163 A L H X S+ 0 0 55 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.908 107.5 49.5 -62.2 -41.1 85.1 22.9 44.0 156 164 A N H X S+ 0 0 81 -4,-1.3 4,-2.6 -5,-0.2 -1,-0.2 0.910 114.1 43.4 -63.6 -47.9 87.1 19.7 44.2 157 165 A E H X S+ 0 0 17 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.966 109.9 55.8 -64.2 -48.7 84.2 17.3 44.0 158 166 A V H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.3 7,-0.2 0.857 113.2 44.0 -44.0 -47.5 82.4 19.3 41.2 159 167 A K H < S+ 0 0 134 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.851 107.8 55.2 -70.5 -41.5 85.5 19.0 39.2 160 168 A K H < S+ 0 0 128 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.920 108.9 51.9 -62.1 -38.5 86.1 15.4 40.0 161 169 A V H < S- 0 0 44 -4,-3.1 2,-0.4 1,-0.3 -2,-0.2 0.974 134.4 -14.1 -60.6 -53.7 82.7 14.7 38.7 162 170 A D >< - 0 0 50 -4,-2.0 3,-0.6 -5,-0.2 -1,-0.3 -0.978 54.0-147.9-149.0 140.8 83.0 16.4 35.5 163 171 A S T 3 S+ 0 0 82 -2,-0.4 -4,-0.1 1,-0.2 -3,-0.1 0.536 93.6 72.0 -88.4 -8.3 85.6 18.8 34.5 164 172 A E T 3 S+ 0 0 111 -5,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.434 75.2 109.9 -81.8 -6.5 83.3 20.7 32.4 165 173 A Y < - 0 0 16 -3,-0.6 2,-0.5 -7,-0.2 24,-0.2 -0.543 51.0-162.4 -77.0 143.1 81.5 22.1 35.4 166 174 A I E +B 188 0B 58 22,-1.9 22,-2.0 -2,-0.2 2,-0.4 -0.996 13.7 177.0-126.1 117.3 81.8 25.7 36.3 167 175 A A E -B 187 0B 21 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.967 9.0-178.3-127.8 142.2 80.9 26.7 39.8 168 176 A T E -B 186 0B 33 18,-1.8 18,-2.5 -2,-0.4 2,-0.8 -1.000 24.8-134.1-138.2 134.0 81.1 30.0 41.5 169 177 A V E -B 185 0B 5 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.824 33.4-172.5 -92.3 114.5 80.2 30.7 45.1 170 178 A C + 0 0 2 14,-2.0 3,-0.4 -2,-0.8 14,-0.3 0.201 32.8 70.8 -87.5-151.3 78.1 33.8 45.0 171 179 A G S >> S- 0 0 12 93,-0.5 3,-2.2 1,-0.2 4,-0.9 -0.078 103.4 -39.3 76.3 179.6 76.8 36.0 47.8 172 180 A S T 34>S+ 0 0 26 1,-0.3 5,-1.5 2,-0.2 -1,-0.2 0.705 131.6 67.2 -52.7 -30.1 78.4 38.4 50.3 173 181 A F T >45S+ 0 0 9 -3,-0.4 3,-0.7 1,-0.2 -1,-0.3 0.771 98.2 49.9 -65.0 -29.8 81.2 35.9 50.5 174 182 A R T <45S+ 0 0 51 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.799 106.0 57.8 -76.6 -32.3 82.0 36.7 47.0 175 183 A R T 3<5S- 0 0 68 -4,-0.9 -1,-0.2 90,-0.2 -2,-0.2 0.234 128.0 -94.4 -79.9 6.2 82.0 40.3 47.9 176 184 A G T < 5 + 0 0 36 -3,-0.7 -3,-0.2 1,-0.2 -4,-0.1 -0.073 65.9 169.2 103.7 -30.3 84.7 39.9 50.6 177 185 A A < - 0 0 28 -5,-1.5 -1,-0.2 1,-0.1 3,-0.1 0.384 37.2-137.8 -17.4 134.4 82.2 39.5 53.6 178 186 A E S S+ 0 0 143 1,-0.1 -34,-2.7 -35,-0.1 -33,-0.3 0.769 85.4 3.2 -73.4 -26.6 83.5 38.4 56.9 179 187 A S E -A 143 0A 41 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.950 68.8-158.6-151.0 165.2 80.7 36.0 57.5 180 188 A S E -A 142 0A 0 -38,-2.0 -38,-5.5 -2,-0.3 3,-0.1 -0.931 24.7-126.7-146.7 168.0 77.7 34.9 55.6 181 189 A G S S- 0 0 33 -2,-0.3 65,-0.4 1,-0.3 2,-0.3 0.879 85.6 -15.7 -80.6 -47.5 74.3 33.4 56.2 182 190 A D S S- 0 0 56 63,-0.1 2,-0.5 -40,-0.1 -1,-0.3 -0.983 71.2 -96.0-155.2 159.9 74.5 30.4 53.8 183 191 A M E - c 0 247B 1 63,-1.9 65,-2.0 -2,-0.3 2,-0.6 -0.668 31.7-166.5 -86.0 128.7 76.5 29.1 50.9 184 192 A D E - c 0 248B 25 -2,-0.5 -14,-2.0 -14,-0.3 2,-0.5 -0.933 3.7-171.7-113.2 119.0 75.1 29.8 47.4 185 193 A V E -Bc 169 249B 2 63,-3.0 65,-1.9 -2,-0.6 2,-0.5 -0.947 6.9-158.4-112.7 120.7 76.8 27.9 44.6 186 194 A L E -Bc 168 250B 3 -18,-2.5 -18,-1.8 -2,-0.5 2,-0.4 -0.836 19.5-173.7 -95.9 127.5 75.8 28.9 40.9 187 195 A L E +Bc 167 251B 1 63,-3.4 65,-3.4 -2,-0.5 2,-0.3 -0.945 15.4 160.0-129.8 146.0 76.5 26.2 38.5 188 196 A T E -Bc 166 252B 0 -22,-2.0 -22,-1.9 -2,-0.4 5,-0.1 -0.953 16.4-155.5-151.2 169.2 76.4 25.7 34.9 189 197 A H E > -Dc 192 253B 12 63,-0.8 3,-1.1 3,-0.5 65,-0.8 -0.946 25.8-118.7-145.7 160.5 77.8 23.5 32.4 190 198 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.899 111.0 57.4 -70.8 -44.6 78.5 23.7 28.6 191 199 A S T 3 S+ 0 0 61 1,-0.2 2,-0.4 -27,-0.1 -27,-0.0 0.417 102.3 73.7 -69.8 12.3 76.3 21.0 27.4 192 200 A F B < +D 189 0B 18 -3,-1.1 62,-4.1 60,-0.1 -3,-0.5 -0.856 58.7 135.0-137.0 105.5 73.3 23.1 29.2 193 201 A T - 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0 0 37 3,-1.8 3,-0.2 -2,-0.4 -23,-0.1 -0.913 61.6 -70.7-154.1 174.3 68.2 41.1 34.7 287 295 A E S S+ 0 0 72 -2,-0.3 -24,-0.1 1,-0.2 -23,-0.1 0.691 128.3 24.6 -48.9 -16.2 69.0 37.8 36.4 288 296 A Y S S- 0 0 131 1,-0.3 2,-0.3 -29,-0.2 -29,-0.3 0.727 119.3 -3.8-131.0 -14.2 69.6 36.3 33.1 289 297 A T - 0 0 20 -3,-0.2 -3,-1.8 -30,-0.1 2,-0.4 -0.944 47.7-120.9-160.8-175.7 70.6 38.6 30.4 290 298 A I E -G 285 0C 0 13,-0.5 13,-2.4 -2,-0.3 -5,-0.2 -0.956 27.8-173.6-145.5 118.5 71.2 41.9 29.0 291 299 A R E -G 284 0C 81 -7,-1.3 -7,-1.0 -2,-0.4 10,-0.1 -0.943 27.0-112.9-118.0 133.0 69.3 43.2 26.1 292 300 A P E -G 283 0C 40 0, 0.0 -9,-0.3 0, 0.0 2,-0.2 -0.327 33.7-120.5 -64.2 143.0 69.8 46.4 24.1 293 301 A L - 0 0 57 -11,-2.8 2,-0.4 -12,-0.1 5,-0.1 -0.514 22.0-154.0 -84.9 152.2 67.1 49.0 24.4 294 302 A G > - 0 0 24 -2,-0.2 3,-0.6 1,-0.1 -12,-0.0 -0.990 23.8-119.0-131.2 137.5 65.2 50.2 21.3 295 303 A V T 3 S+ 0 0 156 -2,-0.4 2,-0.3 1,-0.3 4,-0.1 0.658 95.1 87.6 -46.0 -32.1 63.5 53.6 20.9 296 304 A T T 3 S- 0 0 127 2,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.316 124.6 -85.7 -57.6 13.1 59.9 52.3 20.4 297 305 A G S < S+ 0 0 60 -3,-0.6 2,-0.2 -2,-0.3 -1,-0.2 -0.441 105.0 13.9 111.7 -50.4 59.8 52.4 24.2 298 306 A V + 0 0 103 -2,-0.1 -2,-0.3 -5,-0.1 2,-0.3 -0.734 61.9 178.7-138.8-175.3 61.3 49.0 24.7 299 307 A A - 0 0 37 -2,-0.2 2,-0.2 -4,-0.1 -8,-0.1 -0.936 10.3-149.0 176.9 164.9 63.1 46.2 22.9 300 308 A G + 0 0 32 -2,-0.3 -2,-0.0 -7,-0.1 0, 0.0 -0.574 33.7 130.3-131.7-167.5 64.8 42.7 23.1 301 309 A E - 0 0 144 -2,-0.2 -1,-0.0 -10,-0.1 -8,-0.0 0.811 55.7-121.5 108.6 62.7 67.6 40.5 21.6 302 310 A P - 0 0 69 0, 0.0 -11,-0.2 0, 0.0 -2,-0.0 0.006 25.3-130.2 -35.1 104.1 69.8 39.0 24.4 303 311 A L - 0 0 50 -13,-2.4 2,-0.5 1,-0.1 -13,-0.5 -0.326 22.0-106.7 -65.2 144.9 73.4 40.0 24.1 304 312 A P - 0 0 99 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.691 37.5-171.2 -78.8 115.3 76.2 37.4 24.2 305 313 A V + 0 0 21 -2,-0.5 -48,-0.2 -50,-0.3 -47,-0.2 -0.936 20.7 171.6-112.6 124.0 78.1 37.4 27.5 306 314 A D S S- 0 0 108 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.599 71.2 -4.4-106.7 -12.3 81.4 35.4 28.2 307 315 A S S > S- 0 0 45 -50,-0.0 4,-0.9 1,-0.0 3,-0.5 -0.929 82.7 -84.1-173.8 159.2 82.3 36.8 31.6 308 316 A E H > S+ 0 0 4 -2,-0.3 4,-1.2 1,-0.2 5,-0.0 0.619 122.8 65.3 -40.8 -22.6 81.4 39.4 34.2 309 317 A K H >> S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 3,-1.5 1.000 90.8 56.0 -63.9 -73.3 83.5 41.7 32.0 310 318 A D H 3> S+ 0 0 40 -3,-0.5 4,-2.8 1,-0.3 6,-0.2 0.711 106.1 53.3 -31.8 -42.2 81.3 41.7 28.8 311 319 A I H 3X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 -1,-0.3 0.965 112.2 43.5 -63.8 -51.9 78.4 42.9 30.8 312 320 A F H S+ 0 0 0 -3,-1.5 5,-1.1 -4,-1.2 4,-0.6 0.977 114.0 52.0 -54.5 -58.7 80.4 45.8 32.2 313 321 A D H ><5S+ 0 0 63 -4,-1.9 3,-0.7 3,-0.3 -1,-0.2 0.832 106.6 55.0 -41.5 -51.0 81.9 46.5 28.7 314 322 A Y H 3<5S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.965 115.4 34.9 -49.9 -65.4 78.4 46.6 27.3 315 323 A I H 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.449 115.8-126.3 -71.0 2.3 77.2 49.2 29.7 316 324 A Q T <<5 + 0 0 123 -3,-0.7 -3,-0.3 -4,-0.6 2,-0.2 0.940 57.3 144.0 48.8 63.6 80.7 50.5 29.3 317 325 A W < - 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