==== 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 9ICW . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-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) . 17896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 65.7 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 . 31 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 2 1 1 3 0 0 2 1 0 0 2 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 0 221 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -14.6 67.2 58.2 57.0 2 10 A T + 0 0 121 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.148 360.0 77.8-168.8 -9.4 67.1 59.3 60.7 3 11 A L S S+ 0 0 58 1,-0.2 42,-0.3 36,-0.1 4,-0.1 0.705 111.5 22.0 -88.6 -17.1 64.9 62.2 60.5 4 12 A N S > S+ 0 0 9 40,-0.1 4,-2.9 35,-0.1 5,-0.2 0.096 90.8 128.6-137.0 27.3 61.7 60.3 60.4 5 13 A G H > + 0 0 20 2,-0.2 4,-1.8 1,-0.2 -2,-0.1 0.834 68.6 43.0 -46.6 -61.0 63.1 57.2 61.8 6 14 A G H > S+ 0 0 38 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.953 115.6 52.7 -58.2 -49.3 60.7 56.2 64.7 7 15 A I H > S+ 0 0 8 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.911 110.7 45.0 -52.6 -51.1 57.9 57.0 62.5 8 16 A T H X S+ 0 0 19 -4,-2.9 4,-1.2 1,-0.2 -1,-0.3 0.778 115.7 51.0 -66.0 -25.0 59.1 54.8 59.8 9 17 A D H X S+ 0 0 96 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.957 107.1 47.0 -76.7 -46.8 59.8 52.3 62.4 10 18 A M H X S+ 0 0 6 -4,-3.7 4,-2.9 1,-0.3 -2,-0.2 0.953 111.6 54.9 -54.2 -50.7 56.5 52.2 64.1 11 19 A L H X S+ 0 0 0 -4,-2.1 4,-3.4 -5,-0.3 -1,-0.3 0.859 107.2 50.6 -48.9 -43.9 54.8 52.0 60.7 12 20 A T H X S+ 0 0 55 -4,-1.2 4,-3.0 2,-0.2 -1,-0.3 0.941 109.1 49.2 -65.4 -42.5 57.0 49.0 60.0 13 21 A E H X S+ 0 0 77 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.934 114.9 47.3 -57.7 -45.6 56.0 47.2 63.3 14 22 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.957 110.3 49.4 -58.6 -57.4 52.5 47.9 62.4 15 23 A A H X S+ 0 0 4 -4,-3.4 4,-1.8 1,-0.2 5,-0.2 0.933 110.3 54.0 -51.7 -48.8 52.7 46.8 58.9 16 24 A N H X S+ 0 0 81 -4,-3.0 4,-2.8 1,-0.3 5,-0.3 0.904 106.1 50.2 -52.4 -47.2 54.3 43.6 60.0 17 25 A F H X>S+ 0 0 35 -4,-2.2 4,-3.3 -5,-0.2 5,-1.6 0.910 105.3 55.2 -61.5 -43.6 51.8 42.8 62.3 18 26 A E H <5S+ 0 0 6 -4,-2.1 6,-0.7 1,-0.2 7,-0.2 0.967 115.9 38.9 -52.7 -55.7 48.8 43.2 59.9 19 27 A K H <5S+ 0 0 82 -4,-1.8 -1,-0.2 5,-0.3 -2,-0.2 0.904 123.0 39.3 -58.7 -54.0 50.3 40.9 57.6 20 28 A N H <5S+ 0 0 21 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.844 133.0 16.8 -70.5 -41.9 51.7 38.3 60.1 21 29 A V T <5S+ 0 0 32 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.846 129.2 40.3 -98.5 -56.1 48.9 38.2 62.7 22 30 A S S + 0 0 26 -6,-0.7 4,-4.7 1,-0.2 3,-0.3 -0.205 10.1 157.9 -54.1 55.3 45.5 42.3 56.7 25 33 A I H > S+ 0 0 91 -2,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.865 77.1 53.3 -48.9 -39.7 47.4 42.5 53.5 26 34 A H H > S+ 0 0 155 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.962 116.5 35.9 -61.7 -49.2 45.6 45.7 52.6 27 35 A K H > S+ 0 0 105 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.856 115.3 57.4 -68.1 -42.1 46.5 47.4 55.8 28 36 A Y H X S+ 0 0 38 -4,-4.7 4,-1.2 1,-0.3 -2,-0.2 0.920 107.5 45.3 -58.0 -44.1 49.7 45.7 55.7 29 37 A N H X S+ 0 0 75 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.3 0.668 107.7 63.5 -71.6 -20.3 50.5 47.2 52.4 30 38 A A H X S+ 0 0 29 -4,-0.6 4,-2.1 -3,-0.2 3,-0.3 0.973 99.4 49.0 -69.0 -54.9 49.3 50.5 53.7 31 39 A Y H X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.851 110.2 55.4 -53.7 -38.4 51.9 50.8 56.4 32 40 A R H X S+ 0 0 144 -4,-1.2 4,-2.4 -5,-0.2 -1,-0.2 0.880 105.4 44.3 -68.9 -41.5 54.6 50.1 53.9 33 41 A K H X S+ 0 0 85 -4,-1.4 4,-2.6 -3,-0.3 5,-0.2 0.921 114.4 55.8 -69.5 -33.1 54.0 52.7 51.2 34 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.972 109.1 42.1 -59.0 -56.1 53.6 55.0 54.1 35 43 A A H X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.910 111.8 59.1 -58.2 -37.1 57.0 54.3 55.6 36 44 A S H X S+ 0 0 61 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.933 111.2 38.5 -56.3 -49.4 58.4 54.4 52.2 37 45 A V H X S+ 0 0 34 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.867 113.6 51.6 -72.5 -39.3 57.2 57.9 51.6 38 46 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.862 107.7 59.3 -63.9 -32.1 57.9 59.4 55.0 39 47 A A H < S+ 0 0 45 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.878 106.4 43.0 -59.6 -47.0 61.4 57.9 54.5 40 48 A K H < S+ 0 0 180 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.796 90.7 119.4 -71.6 -29.8 62.1 59.8 51.4 41 49 A Y < - 0 0 42 -4,-1.6 4,-0.1 1,-0.2 -38,-0.1 -0.192 59.4-146.7 -54.4 117.8 60.7 62.8 53.0 42 50 A P + 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.296 67.8 56.6 -58.3 -9.3 63.1 65.7 53.3 43 51 A H S S- 0 0 111 -5,-0.2 2,-0.8 -39,-0.0 -40,-0.0 -0.775 88.2 -92.3-131.9-178.2 61.9 67.2 56.6 44 52 A K - 0 0 119 -2,-0.3 2,-0.5 -40,-0.0 -40,-0.1 -0.819 43.7-131.2 -90.0 111.9 61.3 66.6 60.1 45 53 A I - 0 0 7 -2,-0.8 -38,-0.1 -42,-0.3 3,-0.1 -0.536 27.6-178.6 -67.0 118.2 57.7 65.6 60.3 46 54 A K + 0 0 154 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.500 60.0 1.8 -95.9 -9.0 56.3 67.8 63.1 47 55 A S > - 0 0 37 1,-0.2 4,-1.8 22,-0.0 -1,-0.2 -0.995 69.6-103.5-166.0 170.8 52.7 66.5 63.1 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.2 2,-0.2 3,-0.4 0.981 117.0 56.6 -65.8 -55.8 50.2 64.2 61.6 49 57 A A H > S+ 0 0 65 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.817 106.3 52.3 -43.7 -37.9 48.6 66.9 59.5 50 58 A E H 4 S+ 0 0 42 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.946 113.5 42.6 -65.8 -48.2 51.9 67.6 58.0 51 59 A A H >< S+ 0 0 0 -4,-1.8 3,-3.9 -3,-0.4 -2,-0.2 0.912 101.9 65.8 -62.1 -49.5 52.3 64.0 57.2 52 60 A K H 3< S+ 0 0 94 -4,-3.2 5,-0.2 1,-0.3 -1,-0.2 0.770 86.8 74.8 -42.3 -35.7 48.8 63.5 55.9 53 61 A K T 3< S+ 0 0 166 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.562 85.9 86.5 -57.1 -12.9 49.8 65.9 53.2 54 62 A L S X S- 0 0 34 -3,-3.9 3,-1.3 4,-0.1 2,-0.2 -0.635 89.2-107.2 -95.3 155.7 51.7 63.0 51.8 55 63 A P T 3 S+ 0 0 97 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.509 109.6 33.1 -74.5 137.2 50.4 60.3 49.5 56 64 A G T 3 S+ 0 0 23 -2,-0.2 2,-0.8 1,-0.2 -22,-0.2 0.213 99.5 113.8 96.7 -16.6 50.0 57.0 51.2 57 65 A V < + 0 0 12 -3,-1.3 -1,-0.2 -5,-0.2 2,-0.1 -0.801 40.6 166.8-103.4 105.8 49.1 59.1 54.2 58 66 A G > - 0 0 30 -2,-0.8 4,-1.8 -3,-0.1 5,-0.1 -0.218 50.9 -89.8 -97.4-174.4 45.7 58.9 55.4 59 67 A T H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -7,-0.1 0.784 118.9 55.0 -71.0 -32.7 43.9 60.0 58.4 60 68 A K H > S+ 0 0 120 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.885 112.5 40.8 -72.4 -38.1 44.5 56.8 60.4 61 69 A I H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 3,-0.3 0.863 111.4 57.6 -75.3 -39.5 48.1 56.8 60.0 62 70 A A H X S+ 0 0 6 -4,-1.8 4,-2.1 1,-0.3 -2,-0.2 0.928 105.2 53.6 -55.3 -40.8 48.2 60.5 60.6 63 71 A E H X S+ 0 0 125 -4,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.848 108.0 47.4 -58.8 -42.6 46.5 59.8 63.8 64 72 A K H X S+ 0 0 37 -4,-1.1 4,-2.1 -3,-0.3 5,-0.3 0.836 107.2 57.0 -70.8 -38.8 49.1 57.3 64.9 65 73 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.4 0.913 105.3 54.0 -62.3 -37.7 51.8 59.7 64.0 66 74 A D H X S+ 0 0 67 -4,-2.1 4,-5.0 -5,-0.2 5,-0.3 0.987 108.3 44.6 -61.4 -58.1 50.3 62.2 66.3 67 75 A E H X S+ 0 0 73 -4,-1.7 4,-2.3 1,-0.2 6,-0.6 0.819 117.4 47.5 -54.1 -34.8 50.2 60.0 69.4 68 76 A F H < S+ 0 0 52 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.950 117.5 39.4 -76.0 -44.8 53.6 58.8 68.8 69 77 A L H < S+ 0 0 58 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.985 118.2 50.8 -64.7 -51.8 55.0 62.3 68.1 70 78 A A H < S+ 0 0 83 -4,-5.0 2,-0.3 -5,-0.4 -2,-0.2 0.865 129.3 12.9 -51.8 -39.1 52.8 63.5 71.0 71 79 A T S < S- 0 0 69 -4,-2.3 2,-2.1 2,-0.4 -1,-0.2 -0.999 85.1-108.2-140.1 139.6 54.2 60.7 73.4 72 80 A G S S+ 0 0 71 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.322 97.3 47.7 -52.8 19.5 57.2 58.4 73.0 73 81 A K - 0 0 84 -2,-2.1 -2,-0.4 -6,-0.6 2,-0.3 -0.895 67.4-133.4-150.7-176.9 54.7 55.6 72.4 74 82 A L > - 0 0 1 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 -0.978 16.7-144.0-141.9 121.4 51.7 54.2 70.7 75 83 A R H > S+ 0 0 176 -2,-0.3 4,-2.4 1,-0.2 3,-0.3 0.959 101.3 51.2 -51.9 -57.8 49.0 52.3 72.7 76 84 A K H > S+ 0 0 77 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.841 110.9 48.5 -44.9 -46.9 48.3 49.8 69.9 77 85 A L H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.907 110.3 52.9 -65.0 -39.9 52.0 49.0 69.6 78 86 A E H < S+ 0 0 74 -4,-2.4 4,-0.4 -3,-0.3 -2,-0.2 0.941 109.7 46.1 -61.8 -43.8 52.1 48.6 73.2 79 87 A K H >X S+ 0 0 133 -4,-2.4 4,-1.8 1,-0.2 3,-1.6 0.947 112.6 50.8 -60.6 -52.4 49.2 46.1 73.3 80 88 A I H 3< S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.885 102.7 60.5 -52.6 -45.6 50.6 44.1 70.3 81 89 A R T 3< S+ 0 0 127 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.631 113.1 39.1 -59.7 -17.0 54.2 43.8 72.0 82 90 A Q T <4 S+ 0 0 139 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.924 82.9 108.0 -92.5 -62.2 52.5 42.0 74.9 83 91 A D X - 0 0 70 -4,-1.8 4,-2.3 1,-0.1 5,-0.2 0.197 58.3-150.7 -23.3 113.1 49.9 39.7 73.4 84 92 A D H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 94.0 57.7 -66.5 -33.3 51.1 36.4 73.7 85 93 A T H > S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.953 107.9 45.9 -59.3 -46.1 49.3 35.3 70.6 86 94 A S H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.934 112.4 52.6 -61.4 -41.0 51.0 37.9 68.6 87 95 A S H X S+ 0 0 50 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.873 104.2 56.1 -63.6 -36.5 54.4 36.9 70.1 88 96 A S H X S+ 0 0 12 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.869 106.2 49.6 -64.1 -35.1 53.9 33.3 69.4 89 97 A I H X S+ 0 0 5 -4,-1.5 4,-1.4 -3,-0.3 -1,-0.2 0.862 108.3 52.9 -70.9 -39.5 53.5 33.9 65.7 90 98 A N H < S+ 0 0 74 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.807 116.7 41.2 -66.2 -26.8 56.5 36.0 65.5 91 99 A F H >< S+ 0 0 60 -4,-1.3 3,-2.4 -5,-0.2 4,-0.3 0.899 109.1 51.4 -84.0 -54.1 58.4 33.3 67.1 92 100 A L H >< S+ 0 0 0 -4,-3.0 3,-3.0 1,-0.3 6,-0.2 0.907 100.8 68.8 -53.0 -40.4 57.2 30.1 65.4 93 101 A T T 3< S+ 0 0 40 -4,-1.4 -1,-0.3 1,-0.3 5,-0.2 0.695 83.2 72.0 -52.0 -22.4 57.9 31.8 62.2 94 102 A R T < S+ 0 0 112 -3,-2.4 2,-0.3 2,-0.1 -1,-0.3 0.645 78.0 93.8 -72.1 -13.7 61.6 31.6 63.0 95 103 A V S X S- 0 0 2 -3,-3.0 3,-1.7 -4,-0.3 2,-0.4 -0.628 90.7-112.4 -78.9 138.0 61.4 27.9 62.3 96 104 A S T 3 S+ 0 0 38 35,-0.4 35,-0.4 -2,-0.3 36,-0.1 -0.578 103.0 25.7 -73.1 128.8 62.3 27.2 58.8 97 105 A G T 3 S+ 0 0 33 -2,-0.4 2,-0.6 1,-0.3 -1,-0.3 0.216 98.3 102.2 104.2 -12.9 59.3 25.9 57.0 98 106 A I < + 0 0 7 -3,-1.7 -1,-0.3 -6,-0.2 -3,-0.0 -0.942 46.2 172.9-106.4 122.1 56.9 27.7 59.2 99 107 A G > - 0 0 30 -2,-0.6 4,-2.2 -3,-0.1 5,-0.1 -0.398 51.8 -80.6-111.3-171.0 55.4 30.8 57.7 100 108 A P H > S+ 0 0 40 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.867 126.5 56.5 -59.5 -44.9 52.7 33.0 59.2 101 109 A S H > S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.955 111.5 40.5 -56.0 -53.1 50.0 30.8 57.9 102 110 A A H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 109.0 62.1 -65.4 -36.2 51.3 27.8 59.6 103 111 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.908 104.1 49.4 -54.7 -44.8 52.1 29.8 62.6 104 112 A R H X S+ 0 0 51 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.960 109.5 48.9 -59.8 -53.4 48.4 30.6 63.1 105 113 A K H X S+ 0 0 101 -4,-1.7 4,-1.1 1,-0.2 5,-0.2 0.954 113.3 49.7 -51.0 -50.3 47.2 27.1 62.8 106 114 A F H ><>S+ 0 0 0 -4,-2.5 5,-3.2 1,-0.3 3,-0.7 0.924 110.7 47.3 -55.1 -48.2 49.8 26.0 65.3 107 115 A V H ><5S+ 0 0 7 -4,-2.5 3,-1.0 1,-0.3 -1,-0.3 0.866 109.2 56.0 -63.9 -33.0 48.9 28.6 67.8 108 116 A D H 3<5S+ 0 0 126 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.676 106.8 47.8 -74.0 -16.9 45.4 27.9 67.4 109 117 A E T <<5S- 0 0 107 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.366 128.0-103.5-101.3 5.7 46.0 24.5 68.2 110 118 A G T < 5S+ 0 0 42 -3,-1.0 2,-0.6 1,-0.3 -3,-0.3 0.700 75.9 133.6 88.2 17.7 48.0 25.7 71.1 111 119 A I < + 0 0 5 -5,-3.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.920 12.7 144.8-100.6 120.0 51.7 25.2 70.0 112 120 A K + 0 0 67 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 0.345 53.3 51.2-136.3 -2.1 53.5 28.3 70.8 113 121 A T S > S- 0 0 58 -3,-0.1 4,-2.9 1,-0.1 5,-0.1 -0.861 83.0-105.1-136.2 172.6 56.8 27.1 71.8 114 122 A L H > S+ 0 0 33 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.891 121.8 50.6 -60.2 -45.7 59.7 25.0 70.8 115 123 A E H > S+ 0 0 135 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.924 106.9 56.1 -61.3 -41.7 58.8 22.4 73.2 116 124 A D H > S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.935 107.4 50.4 -52.4 -50.3 55.3 22.5 71.8 117 125 A L H < S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.915 106.5 51.3 -58.1 -48.0 56.7 21.8 68.6 118 126 A R H >< S+ 0 0 126 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.894 108.7 53.7 -56.3 -42.9 58.8 18.8 69.6 119 127 A K H 3< S+ 0 0 161 -4,-2.5 3,-0.3 1,-0.3 -1,-0.3 0.846 115.5 40.1 -58.1 -36.6 55.8 17.3 71.2 120 128 A N T >< + 0 0 43 -4,-1.7 3,-1.7 -3,-0.4 -1,-0.3 -0.158 68.5 136.0-107.7 40.8 54.0 17.6 68.1 121 129 A E G X + 0 0 98 -3,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.764 66.7 70.7 -59.1 -18.9 56.6 16.7 65.6 122 130 A D G 3 S+ 0 0 108 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.840 91.0 55.3 -67.9 -32.5 54.0 14.7 64.0 123 131 A K G < S+ 0 0 91 -3,-1.7 2,-0.4 -6,-0.2 -1,-0.3 0.170 95.8 85.2 -84.3 16.3 52.0 17.6 62.7 124 132 A L S < S- 0 0 6 -3,-1.3 -26,-0.0 -4,-0.1 2,-0.0 -0.920 72.9-130.6-117.3 146.5 55.0 19.1 61.0 125 133 A N > - 0 0 77 -2,-0.4 4,-2.9 -28,-0.1 5,-0.2 -0.171 38.4 -86.3 -85.4-174.3 56.3 18.2 57.5 126 134 A H H > S+ 0 0 109 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.958 127.0 44.4 -53.6 -59.4 59.9 17.3 56.4 127 135 A H H > S+ 0 0 42 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.950 116.5 46.1 -51.3 -59.5 61.1 20.9 56.0 128 136 A Q H > S+ 0 0 13 -31,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.875 112.0 53.8 -55.0 -35.6 59.5 22.1 59.2 129 137 A R H X S+ 0 0 99 -4,-2.9 4,-2.2 2,-0.2 3,-0.5 0.969 112.9 40.7 -65.3 -45.3 60.9 19.0 60.9 130 138 A I H X S+ 0 0 5 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.982 109.5 59.1 -62.3 -51.6 64.3 19.7 59.8 131 139 A G H < S+ 0 0 2 -4,-3.3 -35,-0.4 -35,-0.4 -1,-0.2 0.722 110.9 44.8 -44.5 -31.9 63.9 23.4 60.4 132 140 A L H >< S+ 0 0 13 -4,-1.4 3,-1.6 -3,-0.5 -1,-0.2 0.891 106.9 56.2 -81.6 -46.8 63.2 22.4 64.1 133 141 A K H 3< S+ 0 0 135 -4,-2.2 3,-0.2 1,-0.3 -2,-0.2 0.841 119.1 33.4 -55.0 -38.6 66.0 20.0 64.5 134 142 A Y T 3X S+ 0 0 16 -4,-2.2 4,-3.0 1,-0.2 -1,-0.3 -0.072 76.8 130.1-110.2 32.2 68.5 22.7 63.5 135 143 A F T <4 S+ 0 0 24 -3,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.866 78.8 40.8 -53.4 -40.6 66.8 25.7 64.9 136 144 A G T >> S+ 0 0 37 -4,-0.2 3,-2.5 -3,-0.2 4,-0.8 0.984 114.4 49.7 -70.9 -59.5 69.9 26.8 66.7 137 145 A D G >4 S+ 0 0 30 1,-0.3 3,-1.0 2,-0.2 -2,-0.2 0.831 108.4 56.7 -46.9 -43.2 72.4 26.0 63.9 138 146 A F G 3< S+ 0 0 44 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.644 103.9 50.9 -67.7 -17.7 70.2 27.8 61.4 139 147 A E G <4 S+ 0 0 102 -3,-2.5 2,-0.4 -4,-0.4 -1,-0.3 0.648 89.4 97.6 -94.2 -10.4 70.2 31.0 63.3 140 148 A K S << S- 0 0 108 -3,-1.0 -4,-0.0 -4,-0.8 0, 0.0 -0.646 76.3-124.4 -77.2 120.5 74.1 31.1 63.6 141 149 A R - 0 0 144 -2,-0.4 40,-0.2 1,-0.1 -1,-0.1 -0.140 25.1-115.0 -60.0 164.3 75.8 33.2 61.1 142 150 A I E -A 180 0A 0 38,-4.4 38,-2.7 40,-0.0 2,-0.2 -0.915 23.3-138.0-106.6 113.3 78.5 31.5 59.0 143 151 A P E >> -A 179 0A 39 0, 0.0 3,-3.8 0, 0.0 4,-1.9 -0.466 17.7-123.6 -70.4 134.5 82.0 32.8 59.5 144 152 A R H 3> S+ 0 0 63 34,-4.0 4,-2.3 1,-0.3 5,-0.2 0.731 109.8 67.6 -46.6 -31.0 84.0 33.3 56.3 145 153 A E H 34 S+ 0 0 115 33,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.694 108.0 39.0 -61.6 -25.0 86.7 31.0 57.6 146 154 A E H <> S+ 0 0 24 -3,-3.8 4,-2.5 2,-0.2 3,-0.3 0.807 108.8 60.6 -86.8 -44.6 84.1 28.2 57.3 147 155 A M H X S+ 0 0 2 -4,-1.9 4,-3.3 1,-0.3 5,-0.3 0.879 102.3 53.4 -47.3 -47.3 82.7 29.5 54.1 148 156 A L H X S+ 0 0 75 -4,-2.3 4,-1.6 1,-0.2 -1,-0.3 0.841 110.0 48.2 -60.2 -38.2 86.3 29.0 52.5 149 157 A Q H > S+ 0 0 64 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.850 112.6 48.4 -72.6 -32.3 86.2 25.4 53.7 150 158 A M H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 3,-0.3 0.978 112.2 47.3 -67.2 -54.8 82.7 24.8 52.3 151 159 A Q H X S+ 0 0 55 -4,-3.3 4,-2.1 1,-0.2 5,-0.3 0.875 107.0 60.3 -53.9 -38.3 83.5 26.3 49.1 152 160 A D H X S+ 0 0 90 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.946 109.7 40.3 -59.0 -45.3 86.7 24.2 49.0 153 161 A I H X S+ 0 0 37 -4,-1.7 4,-2.5 -3,-0.3 5,-0.2 0.961 112.0 53.6 -68.1 -50.0 84.8 21.0 49.2 154 162 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.938 110.6 46.3 -51.5 -53.8 82.0 21.9 46.9 155 163 A L H X S+ 0 0 59 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.867 109.9 53.3 -61.4 -38.2 84.3 22.9 44.0 156 164 A N H X S+ 0 0 81 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.2 0.904 112.6 44.4 -65.9 -39.7 86.5 19.9 44.4 157 165 A E H X S+ 0 0 24 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.899 111.4 51.0 -73.0 -37.6 83.5 17.5 44.1 158 166 A V H X S+ 0 0 8 -4,-2.5 4,-2.0 -5,-0.2 7,-0.3 0.900 109.4 54.5 -63.4 -35.9 81.8 19.3 41.3 159 167 A K H < S+ 0 0 133 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.967 106.0 50.2 -61.4 -49.6 85.1 19.1 39.5 160 168 A K H < S+ 0 0 129 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.915 108.9 50.5 -52.7 -50.4 85.4 15.4 40.0 161 169 A V H < S- 0 0 47 -4,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.877 134.2 -5.7 -57.9 -41.0 82.0 14.6 38.7 162 170 A D >< - 0 0 49 -4,-2.0 3,-1.4 -5,-0.2 -1,-0.3 -0.848 52.3-151.8-163.3 123.8 82.5 16.7 35.6 163 171 A S T 3 S+ 0 0 82 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.646 96.4 65.8 -64.6 -22.3 85.3 19.0 34.6 164 172 A E T 3 S+ 0 0 112 -6,-0.1 -1,-0.3 -5,-0.1 -5,-0.1 0.469 75.9 107.4 -80.1 -10.1 82.9 20.9 32.6 165 173 A Y < - 0 0 17 -3,-1.4 2,-0.5 -7,-0.3 24,-0.2 -0.412 53.6-156.7 -71.7 153.0 80.9 22.2 35.4 166 174 A I E +B 188 0B 51 22,-1.7 22,-1.9 -2,-0.1 2,-0.4 -0.962 15.5 179.0-128.5 111.0 81.2 25.7 36.4 167 175 A A E -B 187 0B 23 -2,-0.5 2,-0.3 20,-0.2 20,-0.2 -0.890 4.0-176.1-115.0 150.7 80.2 26.5 40.0 168 176 A T E -B 186 0B 29 18,-1.5 18,-2.7 -2,-0.4 2,-0.8 -0.997 21.6-138.1-143.1 137.9 80.3 29.9 41.7 169 177 A V E -B 185 0B 7 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.849 32.4-178.0-101.4 110.3 79.6 30.9 45.3 170 178 A C + 0 0 3 14,-2.0 14,-0.4 -2,-0.8 3,-0.4 -0.085 30.7 72.0 -89.9-164.4 77.6 34.1 45.2 171 179 A G S >> S- 0 0 19 1,-0.2 3,-1.1 93,-0.2 4,-0.6 -0.371 104.7 -40.9 93.0-173.3 76.4 36.2 47.9 172 180 A S T 34 S+ 0 0 27 1,-0.3 5,-0.5 2,-0.2 3,-0.3 0.714 129.9 71.0 -62.0 -25.7 78.0 38.5 50.4 173 181 A F T 34 S+ 0 0 11 -3,-0.4 3,-0.5 1,-0.3 -1,-0.3 0.841 101.7 44.3 -53.7 -41.2 80.7 35.8 50.6 174 182 A R T <4 S+ 0 0 48 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.585 106.4 58.2 -76.5 -27.3 81.7 36.9 47.2 175 183 A R S < S- 0 0 62 -4,-0.6 2,-0.2 -3,-0.3 -1,-0.2 0.232 127.7 -97.4 -91.2 12.0 81.5 40.6 47.9 176 184 A G + 0 0 34 -3,-0.5 -3,-0.1 1,-0.2 -4,-0.1 -0.340 65.7 165.1 106.0 -50.8 84.1 40.0 50.7 177 185 A A - 0 0 35 -5,-0.5 -1,-0.2 -2,-0.2 3,-0.1 0.574 38.3-134.6 -4.4 135.6 81.8 39.6 53.8 178 186 A E S S+ 0 0 144 1,-0.1 -34,-4.0 -35,-0.1 -33,-0.3 0.661 84.6 5.9 -76.4 -21.1 83.2 38.2 57.1 179 187 A S E S-A 143 0A 36 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.966 70.2-162.0-155.7 160.2 80.2 35.9 57.8 180 188 A S E -A 142 0A 3 -38,-2.7 -38,-4.4 -2,-0.3 3,-0.1 -0.948 27.1-121.4-149.2 168.3 77.1 35.0 56.0 181 189 A G S S- 0 0 37 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.882 84.0 -19.4 -73.0 -49.7 73.7 33.5 56.4 182 190 A D - 0 0 78 63,-0.1 2,-0.7 -40,-0.1 65,-0.2 -0.947 69.5 -90.6-154.7 170.3 73.9 30.5 54.1 183 191 A M E - c 0 247B 1 63,-2.8 65,-2.9 -2,-0.3 2,-0.6 -0.831 33.9-173.4-100.1 119.9 75.7 29.1 51.1 184 192 A D E - c 0 248B 24 -2,-0.7 -14,-2.0 -14,-0.4 2,-0.5 -0.908 2.7-173.2-111.7 104.5 74.4 29.9 47.6 185 193 A V E -Bc 169 249B 2 63,-3.0 65,-1.8 -2,-0.6 2,-0.5 -0.846 11.4-154.1-102.5 128.1 76.0 28.1 44.7 186 194 A L E -Bc 168 250B 1 -18,-2.7 -18,-1.5 -2,-0.5 2,-0.4 -0.805 21.5-166.4 -93.6 125.3 75.2 29.1 41.0 187 195 A L E +Bc 167 251B 1 63,-2.8 65,-2.5 -2,-0.5 2,-0.3 -0.948 13.8 164.2-125.6 142.6 75.8 26.2 38.8 188 196 A T E -Bc 166 252B 0 -22,-1.9 -22,-1.7 -2,-0.4 5,-0.1 -0.830 14.9-163.6-141.1 176.3 76.1 25.8 35.0 189 197 A H E > - c 0 253B 10 63,-0.6 3,-1.2 3,-0.4 65,-0.9 -0.930 29.1-125.3-164.8 143.3 77.2 23.5 32.3 190 198 A P T 3 S+ 0 0 66 0, 0.0 65,-0.1 0, 0.0 -1,-0.1 0.821 111.0 60.7 -56.5 -41.1 78.0 23.9 28.6 191 199 A S T 3 S+ 0 0 65 1,-0.1 2,-0.4 -3,-0.1 11,-0.1 0.115 99.5 72.0 -76.0 17.7 75.6 21.2 27.7 192 200 A F < + 0 0 14 -3,-1.2 62,-3.5 60,-0.1 -3,-0.4 -0.924 61.0 132.3-145.5 118.6 72.7 23.2 29.3 193 201 A T - 0 0 36 -2,-0.4 5,-0.1 60,-0.3 -5,-0.0 -0.999 63.9 -66.2-165.7 162.9 71.1 26.3 28.0 194 202 A S S S+ 0 0 70 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.479 129.3 20.7 -9.1 -56.4 68.2 28.5 27.1 195 203 A E S S+ 0 0 165 2,-0.1 -1,-0.2 3,-0.0 3,-0.2 0.940 94.5 108.4 -85.7 -59.6 66.9 26.1 24.3 196 204 A S S S- 0 0 37 1,-0.2 2,-1.3 3,-0.0 -3,-0.1 0.261 78.5-118.9 -20.6 114.8 68.6 22.8 25.2 197 205 A T - 0 0 133 1,-0.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.605 53.7 -78.5 -80.1 109.9 65.9 20.7 26.4 198 206 A K - 0 0 92 -2,-1.3 -1,-0.1 -3,-0.2 -5,-0.1 0.633 27.9-154.4 31.5-179.6 66.9 19.9 29.9 199 207 A Q + 0 0 76 25,-0.2 4,-0.4 -3,-0.1 -1,-0.1 -0.360 11.4 178.5 171.7 91.5 69.2 17.7 31.7 200 208 A P S >> S+ 0 0 54 0, 0.0 4,-1.8 0, 0.0 3,-1.5 0.868 80.6 66.1 -71.9 -39.3 68.0 17.0 35.2 201 209 A K H 3> S+ 0 0 108 1,-0.3 4,-3.5 2,-0.2 5,-0.4 0.826 85.7 75.5 -49.9 -37.8 70.9 14.7 35.9 202 210 A L H 3> S+ 0 0 3 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.845 107.5 28.4 -43.4 -49.0 73.0 17.8 35.6 203 211 A L H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.4 -1,-0.2 0.914 119.6 55.7 -79.9 -43.4 71.9 19.0 39.1 204 212 A H H X S+ 0 0 44 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.778 100.2 58.5 -59.9 -37.2 71.2 15.5 40.6 205 213 A Q H X S+ 0 0 73 -4,-3.5 4,-2.0 -5,-0.2 -1,-0.2 0.947 109.4 44.1 -63.0 -43.6 74.7 14.2 39.9 206 214 A V H X S+ 0 0 2 -4,-0.6 4,-2.7 -5,-0.4 5,-0.2 0.950 111.1 51.6 -64.2 -49.3 76.3 16.9 41.9 207 215 A V H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.924 110.2 52.8 -53.7 -42.6 73.9 16.7 44.8 208 216 A E H X S+ 0 0 109 -4,-2.2 4,-2.2 2,-0.2 3,-0.3 0.885 106.8 49.8 -61.4 -43.4 74.5 13.1 44.9 209 217 A Q H X S+ 0 0 31 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.970 107.3 57.2 -62.0 -46.2 78.4 13.5 45.1 210 218 A L H <>S+ 0 0 1 -4,-2.7 5,-2.7 1,-0.3 6,-1.6 0.816 111.2 40.3 -54.9 -31.8 78.0 15.9 47.8 211 219 A Q H ><5S+ 0 0 71 -4,-1.2 3,-0.8 -3,-0.3 -1,-0.3 0.825 105.4 66.2 -87.6 -27.9 76.1 13.5 49.9 212 220 A K H 3<5S+ 0 0 149 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.971 110.8 37.1 -51.8 -59.3 78.3 10.6 48.9 213 221 A V T 3<5S- 0 0 57 -4,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.456 119.0-116.5 -71.7 -3.2 81.0 12.5 50.8 214 222 A H T < 5S+ 0 0 142 -3,-0.8 -3,-0.2 -5,-0.3 18,-0.1 0.771 79.4 121.7 76.1 26.5 78.6 13.6 53.5 215 223 A F < + 0 0 5 -5,-2.7 17,-2.4 -6,-0.2 2,-0.5 0.853 68.6 54.7 -86.2 -40.7 78.8 17.2 53.0 216 224 A I E +D 231 0B 5 -6,-1.6 15,-0.3 15,-0.2 -2,-0.2 -0.834 66.0 179.5 -91.0 129.7 75.1 17.6 52.3 217 225 A T E + 0 0 51 13,-4.2 2,-0.3 -2,-0.5 14,-0.2 0.693 58.2 8.9-102.7 -26.1 73.2 16.1 55.3 218 226 A D E -D 230 0B 25 12,-1.1 12,-2.0 -88,-0.0 2,-0.4 -0.975 62.9-126.4-152.1 159.2 69.5 16.6 54.4 219 227 A T E +D 229 0B 34 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.941 19.2 176.0-113.6 127.7 67.3 17.8 51.6 220 228 A L E S- 0 0 18 8,-3.6 2,-0.3 -2,-0.4 -93,-0.2 0.841 79.9 -12.4 -93.5 -52.4 64.7 20.6 52.1 221 229 A S E -D 228 0B 55 7,-1.8 7,-3.2 -94,-0.1 2,-0.4 -0.972 62.0-172.9-153.2 133.0 63.6 20.6 48.5 222 230 A K E +D 227 0B 94 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.876 18.2 153.9-133.1 107.0 65.1 19.1 45.5 223 231 A G - 0 0 37 3,-3.1 -2,-0.0 -2,-0.4 -20,-0.0 -0.248 59.4 -81.8-111.2-157.5 63.7 19.8 42.0 224 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