==== 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 19-APR-96 8ICH . 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) . 18080.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.5 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 . 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 37.9 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 1 2 2 1 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 . 1 2 0 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 0 216 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -20.7 67.1 58.1 56.8 2 10 A T + 0 0 125 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.298 360.0 66.2-160.1 -26.2 67.2 59.4 60.3 3 11 A L S S+ 0 0 59 1,-0.2 42,-0.3 36,-0.1 3,-0.1 0.810 116.7 31.0 -77.8 -26.7 65.1 62.4 60.5 4 12 A N S > S+ 0 0 6 35,-0.2 4,-2.5 40,-0.1 3,-0.3 0.419 89.5 112.7-111.7 6.3 62.1 60.2 59.7 5 13 A G H > S+ 0 0 17 2,-0.2 4,-4.7 1,-0.2 5,-0.3 0.832 71.6 48.9 -37.3 -72.3 63.2 56.9 61.4 6 14 A G H > S+ 0 0 40 -4,-0.3 4,-3.5 2,-0.2 5,-0.2 0.886 116.4 47.8 -44.7 -45.1 60.8 56.4 64.5 7 15 A I H > S+ 0 0 9 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.984 116.3 39.5 -62.7 -60.2 57.9 57.1 62.1 8 16 A T H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.873 120.0 49.7 -57.4 -38.5 59.0 54.8 59.4 9 17 A D H X S+ 0 0 100 -4,-4.7 4,-1.7 -5,-0.2 -1,-0.2 0.911 111.0 44.9 -69.1 -40.0 60.1 52.3 62.0 10 18 A M H X S+ 0 0 6 -4,-3.5 4,-2.0 -5,-0.3 -2,-0.2 0.923 113.8 56.3 -63.5 -40.3 56.9 52.4 64.0 11 19 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.789 106.7 44.3 -54.0 -48.7 55.2 52.1 60.6 12 20 A T H X S+ 0 0 46 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.828 110.6 57.7 -72.8 -31.3 56.9 49.0 59.5 13 21 A E H X S+ 0 0 100 -4,-1.7 4,-0.8 -5,-0.3 -2,-0.2 0.974 110.9 43.2 -58.0 -49.5 56.3 47.6 62.9 14 22 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.880 115.7 47.1 -61.3 -48.6 52.6 48.2 62.4 15 23 A A H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.989 108.6 53.5 -62.5 -57.0 52.5 46.9 58.9 16 24 A N H X S+ 0 0 87 -4,-2.4 4,-1.3 1,-0.3 5,-0.3 0.717 106.9 56.5 -50.3 -24.1 54.5 43.8 59.6 17 25 A F H X>S+ 0 0 35 -4,-0.8 4,-1.5 -5,-0.2 5,-1.1 0.964 104.2 47.1 -75.6 -52.5 52.1 43.1 62.2 18 26 A E H <5S+ 0 0 7 -4,-1.7 6,-1.9 -3,-0.3 -2,-0.2 0.828 112.5 51.8 -57.1 -34.9 48.9 43.1 60.2 19 27 A K H <5S+ 0 0 84 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.950 121.5 29.5 -69.6 -43.8 50.4 41.0 57.6 20 28 A N H <5S+ 0 0 18 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.975 129.6 29.2 -81.9 -71.2 51.6 38.3 60.1 21 29 A V T <5S+ 0 0 33 -4,-1.5 -3,-0.2 -5,-0.3 2,-0.1 0.931 129.1 33.3 -58.8 -47.8 49.2 38.2 63.0 22 30 A S S + 0 0 22 -6,-1.9 4,-3.7 1,-0.2 5,-0.3 -0.603 18.6 166.1-106.5 66.1 45.2 42.3 56.6 25 33 A I H > S+ 0 0 99 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.816 78.3 50.7 -43.7 -41.9 47.2 42.4 53.4 26 34 A H H > S+ 0 0 150 2,-0.3 4,-2.8 3,-0.2 -1,-0.2 0.969 112.4 40.3 -64.5 -64.4 45.7 45.8 52.8 27 35 A K H > S+ 0 0 110 1,-0.3 4,-2.0 2,-0.3 5,-0.2 0.913 118.9 50.0 -54.8 -45.2 46.4 47.6 56.0 28 36 A Y H X S+ 0 0 37 -4,-3.7 4,-1.2 1,-0.2 -1,-0.3 0.945 110.5 47.4 -58.3 -45.6 49.6 45.9 56.0 29 37 A N H X S+ 0 0 84 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.3 0.826 110.7 58.4 -64.5 -29.3 50.1 47.1 52.4 30 38 A A H >X S+ 0 0 30 -4,-2.8 4,-2.2 2,-0.2 3,-1.4 0.999 101.5 48.8 -60.0 -70.0 49.0 50.6 53.7 31 39 A Y H 3X S+ 0 0 11 -4,-2.0 4,-2.6 1,-0.3 -1,-0.2 0.701 111.2 53.7 -38.7 -37.3 51.7 51.1 56.5 32 40 A R H 3X S+ 0 0 135 -4,-1.2 4,-1.1 -5,-0.2 -1,-0.3 0.804 106.3 46.7 -76.9 -36.6 54.4 50.2 54.0 33 41 A K H X S+ 0 0 35 -4,-2.3 4,-2.0 2,-0.2 3,-1.0 0.939 113.0 50.2 -70.2 -54.3 56.9 58.0 51.5 38 46 A I H 3< S+ 0 0 0 -4,-2.4 5,-0.2 1,-0.3 -1,-0.2 0.767 107.9 60.2 -55.0 -30.0 57.5 59.7 54.9 39 47 A A H 34 S+ 0 0 38 -4,-0.5 -1,-0.3 -5,-0.4 -2,-0.2 0.885 107.7 44.0 -62.0 -42.1 60.9 57.9 54.6 40 48 A K H << S+ 0 0 169 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.898 87.7 113.3 -68.7 -47.1 61.5 59.9 51.5 41 49 A Y < - 0 0 44 -4,-2.0 4,-0.1 1,-0.2 -37,-0.0 -0.111 64.5-139.7 -45.7 121.2 60.3 63.1 52.8 42 50 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.059 71.6 60.6 -66.2 12.9 62.9 65.7 53.1 43 51 A H S S- 0 0 108 -5,-0.2 2,-0.6 -39,-0.0 -2,-0.0 -0.995 88.8 -91.1-154.7 159.7 61.8 67.1 56.4 44 52 A K - 0 0 114 -2,-0.3 2,-0.5 1,-0.1 -40,-0.1 -0.485 48.7-129.6 -65.2 109.6 61.2 66.6 60.1 45 53 A I - 0 0 6 -2,-0.6 -1,-0.1 -42,-0.3 3,-0.1 -0.508 25.0-170.7 -68.5 121.1 57.6 65.7 60.1 46 54 A K - 0 0 151 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.673 57.6 -10.5 -85.9 -21.2 56.1 67.9 62.6 47 55 A S S > S- 0 0 37 1,-0.1 4,-2.0 22,-0.0 3,-0.4 -0.964 73.1 -92.7-167.4 169.4 52.5 66.5 63.1 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-5.4 1,-0.2 5,-0.2 0.952 122.2 56.7 -55.7 -50.5 50.1 64.1 61.5 49 57 A A H > S+ 0 0 65 1,-0.3 4,-1.1 2,-0.3 -1,-0.2 0.827 106.0 48.5 -48.0 -42.1 48.6 66.8 59.4 50 58 A E H 4 S+ 0 0 41 -3,-0.4 -1,-0.3 2,-0.2 3,-0.2 0.892 117.5 42.3 -69.2 -37.9 51.9 67.6 57.9 51 59 A A H >< S+ 0 0 0 -4,-2.0 3,-3.3 -3,-0.2 -2,-0.3 0.942 106.4 66.0 -65.3 -50.7 52.4 64.0 57.3 52 60 A K H 3< S+ 0 0 87 -4,-5.4 -1,-0.2 1,-0.3 -2,-0.2 0.677 81.9 72.3 -41.5 -35.7 48.8 63.8 56.2 53 61 A K T 3< S+ 0 0 157 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.740 86.6 108.1 -57.5 -20.4 49.4 66.0 53.2 54 62 A L S X S- 0 0 33 -3,-3.3 3,-1.0 1,-0.1 2,-0.7 -0.098 82.4-105.7 -66.4 153.3 51.2 62.9 52.0 55 63 A P T 3 S+ 0 0 96 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.715 112.0 16.5 -80.6 115.9 50.2 60.4 49.3 56 64 A G T 3 S+ 0 0 33 -2,-0.7 2,-1.3 1,-0.1 -22,-0.2 0.138 98.8 120.9 103.1 -13.1 49.1 57.3 51.1 57 65 A V < + 0 0 7 -3,-1.0 -1,-0.1 -6,-0.2 2,-0.1 -0.637 35.9 167.3 -92.6 94.2 48.7 59.2 54.3 58 66 A G > - 0 0 28 -2,-1.3 4,-2.0 -3,-0.1 5,-0.1 -0.200 52.4 -87.9 -86.7-173.7 45.3 59.0 55.5 59 67 A T H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.619 118.5 62.7 -70.1 -25.3 43.8 59.9 58.8 60 68 A K H > S+ 0 0 135 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.956 111.4 36.4 -68.7 -49.0 44.5 56.6 60.4 61 69 A I H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.851 112.7 58.0 -68.4 -41.8 48.2 56.8 60.1 62 70 A A H X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.951 106.0 52.0 -54.6 -48.0 48.3 60.5 60.7 63 71 A E H X S+ 0 0 129 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.864 108.7 49.0 -54.4 -44.1 46.6 59.8 64.0 64 72 A K H X S+ 0 0 32 -4,-1.4 4,-2.3 1,-0.2 5,-0.3 0.944 107.4 56.4 -63.2 -48.4 49.2 57.2 64.9 65 73 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.897 105.5 50.6 -50.9 -50.0 52.0 59.7 64.0 66 74 A D H X S+ 0 0 70 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.955 108.9 49.5 -59.0 -47.5 50.7 62.3 66.4 67 75 A E H X S+ 0 0 75 -4,-1.6 4,-2.5 1,-0.3 6,-0.5 0.893 116.3 44.2 -56.1 -39.3 50.4 60.0 69.4 68 76 A F H < S+ 0 0 49 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.824 111.7 53.0 -74.4 -32.9 53.9 58.9 68.6 69 77 A L H < S+ 0 0 57 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.892 116.7 38.2 -69.1 -37.5 55.1 62.4 68.1 70 78 A A H < S+ 0 0 90 -4,-3.1 2,-0.5 1,-0.2 -2,-0.2 0.936 127.5 29.9 -75.5 -58.3 53.7 63.5 71.4 71 79 A T S < S- 0 0 65 -4,-2.5 2,-2.6 -5,-0.3 -1,-0.2 -0.888 85.2-122.9-105.6 128.2 54.6 60.4 73.5 72 80 A G S S+ 0 0 76 -2,-0.5 2,-0.2 -3,-0.1 -4,-0.1 0.260 91.4 52.6 -59.3 28.2 57.6 58.3 72.5 73 81 A K - 0 0 108 -2,-2.6 2,-0.3 -6,-0.5 -2,-0.3 -0.737 69.6-135.5-143.3-166.9 55.2 55.4 72.2 74 82 A L > - 0 0 4 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 -0.968 15.5-139.5-153.2 143.6 52.0 54.0 70.8 75 83 A R H > S+ 0 0 161 -2,-0.3 4,-3.6 2,-0.2 5,-0.2 0.988 104.9 47.1 -73.7 -54.7 49.3 52.0 72.6 76 84 A K H > S+ 0 0 89 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.804 114.1 50.7 -50.2 -36.4 48.6 49.6 69.8 77 85 A L H > S+ 0 0 18 2,-0.2 4,-1.9 3,-0.1 -1,-0.3 0.938 113.0 44.4 -72.9 -42.5 52.3 49.1 69.5 78 86 A E H X S+ 0 0 76 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.965 113.7 49.7 -63.6 -49.1 52.7 48.5 73.2 79 87 A K H >X S+ 0 0 125 -4,-3.6 4,-2.7 1,-0.2 3,-0.9 0.941 112.5 47.3 -51.3 -57.3 49.7 46.2 73.3 80 88 A I H 3< S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.864 107.3 56.6 -51.4 -45.6 51.0 44.1 70.3 81 89 A R H 3< S+ 0 0 191 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.822 113.5 41.3 -58.8 -33.1 54.5 43.9 71.8 82 90 A Q H << S+ 0 0 137 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.977 86.8 110.6 -77.8 -61.5 53.0 42.3 74.9 83 91 A D X - 0 0 69 -4,-2.7 4,-3.2 1,-0.1 5,-0.2 0.249 53.5-158.2 -23.8 105.4 50.4 40.0 73.2 84 92 A D H > S+ 0 0 100 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.914 88.5 53.8 -59.3 -46.0 51.5 36.6 73.7 85 93 A T H > S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.959 115.6 39.8 -52.7 -53.9 49.5 35.2 70.8 86 94 A S H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.904 113.5 54.8 -64.1 -38.1 51.0 37.6 68.5 87 95 A S H X S+ 0 0 48 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.883 106.9 55.4 -58.8 -40.0 54.5 37.2 70.2 88 96 A S H X S+ 0 0 15 -4,-3.2 4,-2.1 -5,-0.2 -1,-0.2 0.820 104.0 50.9 -64.0 -37.7 54.2 33.6 69.5 89 97 A I H X S+ 0 0 4 -4,-1.5 4,-1.7 -3,-0.3 -1,-0.2 0.921 106.2 54.1 -67.3 -43.8 53.6 34.0 65.8 90 98 A N H < S+ 0 0 66 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.808 112.9 46.1 -56.0 -36.7 56.6 36.1 65.4 91 99 A F H >< S+ 0 0 62 -4,-1.3 3,-1.9 2,-0.2 4,-0.3 0.874 107.1 51.4 -74.3 -51.7 58.6 33.4 67.0 92 100 A L H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.3 6,-0.2 0.832 98.7 69.9 -57.1 -31.8 57.4 30.2 65.3 93 101 A T T 3< S+ 0 0 43 -4,-1.7 -1,-0.3 1,-0.3 5,-0.2 0.725 81.9 73.2 -60.0 -26.4 58.0 31.8 62.0 94 102 A R T < S+ 0 0 118 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.3 0.732 73.5 100.7 -64.1 -20.9 61.8 31.6 62.7 95 103 A V S X S- 0 0 4 -3,-1.8 3,-3.1 -4,-0.3 2,-0.2 -0.518 90.4-110.5 -69.3 127.1 61.6 28.0 62.0 96 104 A S T 3 S+ 0 0 42 -2,-0.3 35,-0.5 35,-0.3 36,-0.2 -0.467 108.6 23.4 -61.5 122.7 62.8 27.3 58.6 97 105 A G T 3 S+ 0 0 33 1,-0.4 2,-0.6 -2,-0.2 -1,-0.3 0.044 96.4 113.3 106.7 -18.8 59.7 26.2 56.8 98 106 A I < + 0 0 13 -3,-3.1 -1,-0.4 -5,-0.2 0, 0.0 -0.744 41.1 176.7 -90.3 130.0 57.3 27.9 59.1 99 107 A G > - 0 0 26 -2,-0.6 4,-2.3 -3,-0.1 -4,-0.1 -0.461 46.2 -92.1-113.3-171.9 55.5 30.7 57.6 100 108 A P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.811 122.2 56.1 -72.4 -38.4 52.8 32.9 59.0 101 109 A S H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.926 116.9 36.2 -57.4 -49.7 50.0 30.8 57.8 102 110 A A H > S+ 0 0 18 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.900 110.2 62.9 -70.8 -43.7 51.4 27.9 59.6 103 111 A A H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.804 109.9 41.9 -49.9 -34.8 52.6 30.1 62.4 104 112 A R H X S+ 0 0 53 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.871 111.4 51.6 -80.1 -44.8 48.9 30.9 63.2 105 113 A K H X S+ 0 0 105 -4,-1.8 4,-1.0 1,-0.2 5,-0.2 0.930 108.3 54.5 -57.0 -46.3 47.5 27.5 62.7 106 114 A F H X>S+ 0 0 0 -4,-3.2 5,-3.6 1,-0.2 4,-0.9 0.841 110.0 46.3 -51.7 -43.6 50.0 26.1 65.0 107 115 A V H <5S+ 0 0 7 -4,-0.8 -1,-0.2 3,-0.3 -2,-0.2 0.884 104.2 59.4 -64.4 -50.6 49.0 28.6 67.7 108 116 A D H <5S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.729 110.3 44.5 -56.4 -21.8 45.4 28.0 67.3 109 117 A E H <5S- 0 0 115 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.3 0.659 126.7-106.4 -91.2 -28.6 46.3 24.5 68.2 110 118 A G T <5S+ 0 0 31 -4,-0.9 2,-1.6 -5,-0.2 3,-0.3 0.604 71.8 140.3 111.5 16.2 48.5 25.7 71.0 111 119 A I < + 0 0 8 -5,-3.6 -1,-0.2 1,-0.2 -3,-0.1 -0.654 17.5 140.9 -88.3 92.3 52.0 25.1 69.7 112 120 A K + 0 0 73 -2,-1.6 -1,-0.2 -5,-0.1 2,-0.1 0.839 51.7 55.7-100.6 -34.7 53.5 28.3 70.9 113 121 A T S > S- 0 0 61 -3,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.402 82.5-114.8 -95.7 168.0 56.8 27.1 72.0 114 122 A L H > S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.939 120.8 52.8 -66.4 -43.7 59.7 25.4 70.6 115 123 A E H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.896 105.4 55.3 -58.8 -40.1 59.1 22.5 72.9 116 124 A D H > S+ 0 0 41 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.931 103.9 55.8 -56.1 -44.9 55.5 22.5 71.7 117 125 A L H < S+ 0 0 1 -4,-2.3 3,-0.4 1,-0.2 -1,-0.3 0.906 107.2 47.6 -55.4 -40.3 56.9 22.1 68.5 118 126 A R H >< S+ 0 0 126 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.923 103.8 58.2 -68.2 -46.8 58.9 19.0 69.5 119 127 A K H 3< S+ 0 0 155 -4,-2.6 -1,-0.2 1,-0.3 3,-0.2 0.681 116.7 39.4 -58.1 -19.6 56.0 17.2 71.2 120 128 A N T >< + 0 0 37 -4,-1.0 3,-1.0 -3,-0.4 -1,-0.3 -0.282 63.3 138.7-126.9 51.7 54.3 17.5 67.9 121 129 A E G X S+ 0 0 103 -3,-1.5 3,-1.8 1,-0.3 -1,-0.1 0.803 72.4 69.4 -62.5 -24.7 57.0 16.9 65.4 122 130 A D G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.808 89.5 56.8 -57.8 -39.2 54.2 14.8 63.8 123 131 A K G < S+ 0 0 80 -3,-1.0 2,-0.3 -6,-0.2 -1,-0.3 0.441 99.6 85.5 -73.0 -3.5 52.2 17.8 62.9 124 132 A L S < S- 0 0 7 -3,-1.8 2,-0.2 -4,-0.2 5,-0.0 -0.814 73.3-132.1-106.3 142.2 55.3 19.0 61.0 125 133 A N > - 0 0 91 -2,-0.3 4,-1.7 1,-0.1 5,-0.3 -0.540 37.9 -95.5 -90.2 159.7 56.5 18.3 57.5 126 134 A H H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.763 124.4 54.1 -37.7 -43.8 60.1 17.3 56.6 127 135 A H H >> S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 3,-0.8 0.994 115.2 39.2 -56.6 -63.0 61.0 20.9 55.8 128 136 A Q H 3> S+ 0 0 16 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.582 110.3 60.1 -61.5 -17.5 59.9 22.1 59.1 129 137 A R H 3X S+ 0 0 96 -4,-1.7 4,-2.3 2,-0.2 -1,-0.3 0.869 109.6 43.0 -76.7 -39.4 61.2 19.0 60.8 130 138 A I H < S+ 0 0 12 -4,-1.2 3,-1.2 -5,-0.2 -2,-0.2 0.870 110.4 56.3 -76.8 -39.5 63.3 22.4 64.0 133 141 A K H 3< S+ 0 0 127 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.937 118.1 32.9 -58.2 -48.7 66.1 20.0 64.0 134 142 A Y T 3X S+ 0 0 21 -4,-2.6 4,-2.5 1,-0.2 -1,-0.3 -0.180 79.3 131.5-102.3 35.7 68.7 22.6 63.1 135 143 A F H <> S+ 0 0 29 -3,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.903 77.3 37.4 -53.1 -54.4 67.1 25.5 64.9 136 144 A G H >> S+ 0 0 41 -3,-0.3 3,-2.5 -4,-0.2 4,-1.2 0.998 118.8 51.1 -61.8 -67.1 70.2 26.8 66.8 137 145 A D H 34 S+ 0 0 33 1,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.767 106.4 56.3 -39.2 -36.4 72.5 26.0 63.8 138 146 A F H 3< S+ 0 0 42 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.734 105.7 48.1 -75.3 -21.3 70.2 27.9 61.4 139 147 A E H << S+ 0 0 99 -3,-2.5 -1,-0.2 -4,-0.8 -2,-0.2 0.739 91.5 96.5 -87.6 -26.6 70.3 31.1 63.1 140 148 A K S < S- 0 0 107 -4,-1.2 2,-0.0 1,-0.1 -4,-0.0 -0.296 76.2-113.3 -65.6 145.2 74.1 31.3 63.6 141 149 A R - 0 0 140 1,-0.1 40,-0.2 -2,-0.0 -1,-0.1 -0.266 26.0-115.3 -74.4 162.0 76.3 33.3 61.1 142 150 A I E -A 180 0A 0 38,-4.4 38,-1.1 40,-0.1 5,-0.1 -0.872 22.0-135.7-107.3 108.8 78.9 31.6 58.8 143 151 A P E >> -A 179 0A 37 0, 0.0 4,-2.5 0, 0.0 3,-0.9 -0.341 10.8-137.0 -60.6 132.4 82.5 32.5 59.4 144 152 A R H 3> S+ 0 0 58 34,-2.7 4,-2.7 1,-0.3 5,-0.2 0.857 107.7 68.1 -57.0 -30.5 84.2 33.2 56.1 145 153 A E H 3> S+ 0 0 118 33,-0.4 4,-1.0 1,-0.2 -1,-0.3 0.933 108.8 35.3 -52.0 -45.8 87.0 31.1 57.7 146 154 A E H <> S+ 0 0 27 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.797 111.2 63.7 -75.0 -34.7 84.5 28.2 57.4 147 155 A M H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.878 101.0 50.9 -54.9 -48.4 83.1 29.5 54.1 148 156 A L H X S+ 0 0 71 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.882 110.4 49.5 -57.6 -46.8 86.5 29.1 52.5 149 157 A Q H X S+ 0 0 68 -4,-1.0 4,-1.9 -5,-0.2 -2,-0.2 0.897 112.6 47.5 -61.5 -43.6 86.6 25.5 53.7 150 158 A M H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.940 112.7 46.9 -58.9 -56.6 83.2 24.8 52.4 151 159 A Q H X S+ 0 0 59 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.868 106.8 57.8 -50.9 -50.5 83.7 26.3 49.0 152 160 A D H X S+ 0 0 89 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.910 108.5 51.6 -49.0 -49.2 87.1 24.4 48.7 153 161 A I H X S+ 0 0 40 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.887 109.7 42.4 -59.7 -49.5 85.1 21.3 49.1 154 162 A V H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.859 110.3 57.2 -68.3 -33.7 82.3 21.8 46.6 155 163 A L H X S+ 0 0 51 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.831 104.6 56.2 -63.4 -28.9 84.7 23.0 44.0 156 164 A N H X S+ 0 0 78 -4,-1.1 4,-2.2 -5,-0.3 -1,-0.2 0.916 111.7 38.0 -70.5 -42.4 86.4 19.8 44.5 157 165 A E H X S+ 0 0 17 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.962 110.1 58.0 -72.8 -47.2 83.5 17.6 43.8 158 166 A V H X S+ 0 0 7 -4,-2.5 4,-1.9 1,-0.3 7,-0.4 0.899 114.3 40.7 -44.9 -50.2 81.9 19.6 41.0 159 167 A K H < S+ 0 0 140 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.937 110.9 58.6 -65.9 -47.5 85.2 19.3 39.2 160 168 A K H < S+ 0 0 127 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.847 110.0 41.9 -51.5 -42.4 85.6 15.7 40.2 161 169 A V H < S- 0 0 56 -4,-3.1 2,-0.4 1,-0.4 -2,-0.2 0.979 137.0 -1.3 -72.8 -59.5 82.4 14.6 38.7 162 170 A D >< - 0 0 51 -4,-1.9 3,-0.6 -5,-0.2 -1,-0.4 -0.998 57.2-152.1-132.4 136.5 82.6 16.5 35.5 163 171 A S T 3 S+ 0 0 87 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.661 94.9 69.2 -77.7 -15.3 85.4 18.8 34.7 164 172 A E T 3 S+ 0 0 113 -5,-0.1 -1,-0.2 -6,-0.1 -5,-0.1 0.685 74.5 111.8 -72.7 -24.1 83.1 20.8 32.5 165 173 A Y < - 0 0 14 -3,-0.6 2,-0.5 -7,-0.4 24,-0.2 -0.285 52.5-156.7 -58.3 129.6 81.1 22.1 35.5 166 174 A I E -B 188 0B 58 22,-2.1 22,-0.9 -2,-0.1 2,-0.5 -0.917 15.4-179.3-109.9 117.6 81.3 25.8 36.4 167 175 A A E -B 187 0B 19 -2,-0.5 2,-0.5 20,-0.2 20,-0.2 -0.938 9.4-174.2-128.9 127.1 80.5 26.8 40.0 168 176 A T E -B 186 0B 31 18,-1.9 18,-2.9 -2,-0.5 2,-1.2 -0.925 21.4-143.1-116.7 133.2 80.4 30.1 41.6 169 177 A V E -B 185 0B 6 -2,-0.5 16,-0.2 16,-0.2 -2,-0.0 -0.788 35.9-175.7 -92.5 99.3 79.9 30.8 45.2 170 178 A C + 0 0 3 14,-2.2 14,-0.5 -2,-1.2 3,-0.4 -0.031 32.2 63.1 -82.6-172.6 77.8 34.0 45.0 171 179 A G S >> S- 0 0 17 1,-0.2 3,-0.7 2,-0.2 4,-0.6 -0.463 106.1 -36.8 93.2-169.0 76.6 36.2 47.7 172 180 A S T 34>S+ 0 0 26 1,-0.3 5,-2.5 2,-0.2 -1,-0.2 0.660 131.9 66.2 -63.7 -27.1 78.4 38.4 50.3 173 181 A F T >45S+ 0 0 10 -3,-0.4 3,-1.1 1,-0.2 -1,-0.3 0.880 102.6 47.5 -59.3 -42.4 80.9 35.8 50.6 174 182 A R T <45S+ 0 0 48 -3,-0.7 -2,-0.2 1,-0.3 -1,-0.2 0.694 105.7 57.4 -65.4 -35.1 81.7 36.7 47.0 175 183 A R T 3<5S- 0 0 73 -4,-0.6 -1,-0.3 90,-0.1 -2,-0.2 0.078 126.0-103.1 -87.4 16.3 81.7 40.3 48.0 176 184 A G T < 5 + 0 0 33 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.176 60.0 173.0 79.1 -12.0 84.5 39.5 50.6 177 185 A A < - 0 0 30 -5,-2.5 -1,-0.2 1,-0.1 3,-0.0 0.146 36.7-132.5 -31.9 135.5 82.1 39.5 53.6 178 186 A E S S+ 0 0 139 -35,-0.1 -34,-2.7 -34,-0.1 -33,-0.4 0.774 89.2 11.4 -61.4 -34.9 83.5 38.4 57.0 179 187 A S E -A 143 0A 46 -36,-0.2 2,-0.3 -35,-0.1 -38,-0.0 -0.875 69.0-166.2-139.9 165.8 80.6 36.2 57.7 180 188 A S E -A 142 0A 1 -38,-1.1 -38,-4.4 -2,-0.3 3,-0.1 -0.887 21.5-132.2-147.4 171.7 77.7 34.9 55.7 181 189 A G S S- 0 0 33 1,-0.4 65,-0.4 -2,-0.3 2,-0.4 0.851 79.4 -11.9 -97.7 -48.1 74.3 33.2 56.4 182 190 A D S S- 0 0 67 63,-0.1 -1,-0.4 -40,-0.1 2,-0.3 -0.993 73.9 -95.8-151.8 157.4 74.2 30.3 54.0 183 191 A M E - c 0 247B 0 63,-1.6 65,-1.9 -2,-0.4 2,-0.4 -0.655 29.0-166.1 -85.0 137.9 76.0 29.1 51.1 184 192 A D E - c 0 248B 24 -14,-0.5 -14,-2.2 -2,-0.3 2,-0.9 -0.889 3.4-171.0-123.5 95.2 74.8 29.9 47.6 185 193 A V E -Bc 169 249B 2 63,-2.1 65,-2.1 -2,-0.4 2,-0.6 -0.737 9.6-154.6 -94.0 109.2 76.3 27.9 44.7 186 194 A L E -Bc 168 250B 3 -18,-2.9 -18,-1.9 -2,-0.9 2,-0.3 -0.629 22.0-162.4 -78.8 120.9 75.4 29.1 41.2 187 195 A L E +Bc 167 251B 1 63,-2.3 65,-1.2 -2,-0.6 2,-0.3 -0.833 21.1 144.8-116.8 157.4 75.7 26.3 38.9 188 196 A T E -Bc 166 252B 0 -22,-0.9 -22,-2.1 -2,-0.3 5,-0.1 -0.963 19.2-159.7-168.7 170.5 76.0 25.7 35.2 189 197 A H E > -Dc 192 253B 9 63,-0.9 3,-1.6 3,-0.5 65,-1.0 -0.972 30.0-117.6-162.0 149.1 77.4 23.7 32.5 190 198 A P T 3 S+ 0 0 54 0, 0.0 65,-0.1 0, 0.0 -1,-0.1 0.832 111.6 59.2 -58.9 -39.4 78.1 24.0 28.7 191 199 A S T 3 S+ 0 0 58 1,-0.1 2,-0.4 -3,-0.1 -27,-0.0 0.440 101.8 69.5 -73.7 5.8 75.9 21.2 27.7 192 200 A F B < +D 189 0B 17 -3,-1.6 62,-4.6 60,-0.1 -3,-0.5 -0.948 61.3 136.6-135.7 112.4 73.0 23.2 29.3 193 201 A T - 0 0 35 -2,-0.4 5,-0.2 60,-0.4 61,-0.0 -0.946 66.8 -62.3-147.9 162.5 71.7 26.4 27.9 194 202 A S S S+ 0 0 65 -2,-0.3 4,-0.1 1,-0.2 -2,-0.0 0.523 128.4 18.2 -9.5 -54.0 68.5 28.4 27.2 195 203 A E S S+ 0 0 152 2,-0.1 3,-0.3 1,-0.0 -1,-0.2 0.936 88.5 102.3 -91.3 -73.9 67.2 25.8 24.6 196 204 A S S S- 0 0 48 1,-0.2 2,-0.9 3,-0.0 -3,-0.3 0.153 88.1-113.1 -25.7 86.3 68.9 22.4 25.0 197 205 A T - 0 0 130 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 -0.008 52.9 -83.3 -36.6 76.4 66.1 20.8 26.9 198 206 A K - 0 0 101 -2,-0.9 -5,-0.1 -3,-0.3 -3,-0.0 0.322 24.1-142.3 47.9-178.7 67.5 20.2 30.2 199 207 A Q > - 0 0 82 25,-0.2 3,-1.6 -7,-0.0 4,-0.5 -0.396 17.3-175.6 178.9 78.4 69.6 17.5 31.7 200 208 A P T >> S+ 0 0 51 0, 0.0 4,-2.1 0, 0.0 3,-1.1 0.816 81.3 66.2 -56.5 -36.9 68.3 17.1 35.2 201 209 A K H 3> S+ 0 0 122 1,-0.3 4,-4.1 2,-0.2 5,-0.3 0.825 86.7 74.6 -56.4 -30.3 70.9 14.6 36.0 202 210 A L H <> S+ 0 0 5 -3,-1.6 4,-0.7 2,-0.2 -1,-0.3 0.901 105.5 33.0 -49.2 -48.8 73.2 17.6 35.6 203 211 A L H X> S+ 0 0 0 -3,-1.1 4,-1.7 -4,-0.5 3,-0.9 0.966 119.2 55.2 -69.9 -51.4 72.0 18.9 38.9 204 212 A H H 3X S+ 0 0 45 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.791 96.0 61.5 -47.5 -45.2 71.6 15.5 40.4 205 213 A Q H 3X S+ 0 0 73 -4,-4.1 4,-1.1 1,-0.2 -1,-0.3 0.883 107.6 46.2 -53.7 -45.8 75.0 14.1 39.8 206 214 A V H S+ 0 0 2 -4,-3.0 6,-2.5 1,-0.3 5,-1.8 0.596 117.4 42.1 -48.9 -24.4 78.1 16.2 47.9 211 219 A Q H ><5S+ 0 0 70 -4,-1.4 3,-0.9 4,-0.2 -1,-0.3 0.807 105.3 65.1 -87.5 -43.0 76.1 13.7 49.9 212 220 A K H 3<5S+ 0 0 147 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.887 109.4 38.5 -45.7 -49.3 78.3 10.9 48.9 213 221 A V T 3<5S- 0 0 54 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.579 119.1-110.2 -81.2 -12.5 81.0 12.6 50.7 214 222 A H T < 5S+ 0 0 136 -3,-0.9 -3,-0.2 -5,-0.3 -2,-0.1 0.537 85.7 117.6 93.2 13.2 78.8 13.7 53.6 215 223 A F S - 0 0 21 1,-0.1 3,-0.5 7,-0.1 6,-0.1 -0.657 39.5-139.4 -77.0 96.9 84.1 17.5 62.4 236 244 A K T 3 - 0 0 108 -2,-1.4 2,-1.6 1,-0.2 -1,-0.1 0.840 56.9 -25.1 -19.4-142.4 87.8 17.0 62.6 237 245 A N T 3 S- 0 0 161 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 -0.391 107.6-104.2 -90.4 49.3 90.0 15.1 65.0 238 246 A D S < S+ 0 0 95 -2,-1.6 -1,-0.2 -3,-0.5 -2,-0.1 0.766 94.0 90.6 33.6 159.7 87.1 15.7 67.4 239 247 A E S S+ 0 0 190 -3,-0.1 2,-0.4 -4,-0.1 -1,-0.1 -0.173 96.7 58.0 116.7 -20.5 86.2 17.9 70.3 240 248 A K - 0 0 128 2,-0.0 2,-0.2 0, 0.0 -4,-0.2 -0.888 67.2-175.8-138.4 103.2 84.8 20.4 68.0 241 249 A E - 0 0 121 -2,-0.4 -8,-0.0 -6,-0.1 -6,-0.0 -0.568 27.8-110.6 -94.2 163.9 82.0 19.5 65.5 242 250 A Y - 0 0 41 -9,-0.7 2,-0.1 -2,-0.2 -7,-0.1 -0.644 27.2-105.7 -97.4 154.2 80.6 21.9 62.9 243 251 A P - 0 0 26 0, 0.0 -10,-0.4 0, 0.0 2,-0.4 -0.478 36.8-107.1 -74.6 145.0 77.2 23.6 62.7 244 252 A H - 0 0 21 -12,-0.1 2,-0.3 -2,-0.1 -12,-0.2 -0.625 45.2-158.3 -76.6 122.1 74.6 22.4 60.1 245 253 A R E - F 0 231B 11 -14,-2.7 -14,-2.3 -2,-0.4 2,-0.4 -0.761 16.5-114.9-111.1 151.9 74.4 25.0 57.4 246 254 A R E - F 0 230B 32 -65,-0.4 -63,-1.6 -2,-0.3 2,-0.4 -0.482 36.4-177.5 -76.0 130.2 72.0 26.0 54.8 247 255 A I E -cF 183 229B 0 -18,-2.5 -18,-3.6 -2,-0.4 2,-0.4 -0.978 13.9-171.2-138.7 148.4 73.0 25.5 51.4 248 256 A D E -cF 184 228B 20 -65,-1.9 -63,-2.1 -2,-0.4 2,-0.4 -0.970 2.2-175.9-138.6 121.0 71.5 26.1 48.0 249 257 A I E -cF 185 227B 3 -22,-0.8 -22,-2.2 -2,-0.4 2,-0.4 -0.907 8.0-167.7-112.8 137.2 72.7 25.0 44.6 250 258 A R E -cF 186 226B 52 -65,-2.1 -63,-2.3 -2,-0.4 2,-0.4 -0.965 17.3-133.8-134.4 130.5 71.1 26.1 41.2 251 259 A L E -c 187 0B 10 -26,-3.2 -63,-0.3 -2,-0.4 -48,-0.0 -0.614 27.8-170.3 -80.8 129.0 71.4 24.8 37.7 252 260 A I E -c 188 0B 36 -65,-1.2 -63,-0.9 -2,-0.4 2,-0.4 -0.957 30.1-113.3-127.7 145.2 71.9 27.5 35.1 253 261 A P E > -c 189 0B 18 0, 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