==== 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 9ICE . 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) . 18269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 19 5.8 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 . 121 37.0 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 3 2 0 1 2 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 0 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 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 0 222 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -20.2 67.1 58.4 56.9 2 10 A T > + 0 0 115 37,-0.2 3,-1.0 3,-0.0 4,-0.3 0.371 360.0 70.7-158.4 -38.3 67.0 59.7 60.5 3 11 A L T 3 S+ 0 0 58 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.927 113.0 37.7 -60.1 -40.6 65.0 62.8 60.7 4 12 A N T >> S+ 0 0 9 35,-0.2 4,-2.4 37,-0.2 3,-0.7 0.514 87.4 121.1 -93.2 7.7 62.1 60.7 60.1 5 13 A G H <> S+ 0 0 16 -3,-1.0 4,-4.2 1,-0.3 5,-0.2 0.793 72.6 39.7 -24.3 -84.6 63.4 57.8 62.2 6 14 A G H 3> S+ 0 0 39 -4,-0.3 4,-2.6 2,-0.2 5,-0.3 0.813 118.0 50.8 -47.2 -37.5 60.8 57.2 64.9 7 15 A I H <> S+ 0 0 12 -3,-0.7 4,-2.8 -4,-0.2 3,-0.2 1.000 114.9 39.9 -65.4 -62.0 58.0 57.8 62.5 8 16 A T H X S+ 0 0 21 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.876 115.9 54.8 -49.9 -46.5 59.2 55.5 59.9 9 17 A D H X S+ 0 0 104 -4,-4.2 4,-2.0 -5,-0.3 -1,-0.2 0.926 109.9 42.3 -57.7 -47.9 60.1 53.1 62.6 10 18 A M H X S+ 0 0 6 -4,-2.6 4,-2.3 -5,-0.2 5,-0.3 0.978 112.0 58.0 -61.6 -50.2 56.8 52.9 64.3 11 19 A L H X S+ 0 0 3 -4,-2.8 4,-3.1 -5,-0.3 -2,-0.2 0.880 106.8 45.5 -45.2 -51.8 55.1 52.7 60.9 12 20 A T H X S+ 0 0 57 -4,-2.7 4,-3.7 2,-0.2 5,-0.3 0.929 110.6 55.9 -62.7 -37.8 57.0 49.7 59.9 13 21 A E H X S+ 0 0 105 -4,-2.0 4,-2.8 -3,-0.2 -2,-0.2 0.969 113.1 41.1 -48.3 -63.1 56.2 48.1 63.4 14 22 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.888 114.2 53.2 -46.3 -55.4 52.6 48.6 62.8 15 23 A A H >X S+ 0 0 3 -4,-3.1 3,-1.3 -5,-0.3 4,-1.3 0.966 109.0 47.3 -50.3 -66.1 52.8 47.6 59.3 16 24 A N H 3X S+ 0 0 86 -4,-3.7 4,-2.1 1,-0.3 5,-0.3 0.846 107.7 58.3 -47.8 -39.6 54.5 44.3 60.1 17 25 A F H 3X>S+ 0 0 31 -4,-2.8 4,-1.3 -5,-0.3 5,-1.2 0.902 104.0 52.4 -60.4 -39.2 52.0 43.6 62.8 18 26 A E H + 0 0 20 -6,-0.9 4,-3.1 1,-0.2 5,-0.3 -0.366 14.0 160.6 -76.4 56.8 45.4 42.6 57.0 25 33 A I H > S+ 0 0 105 -2,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.854 74.2 52.8 -48.3 -37.1 47.1 42.9 53.6 26 34 A H H > S+ 0 0 157 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.996 114.6 36.7 -66.7 -57.8 45.4 46.2 53.0 27 35 A K H > S+ 0 0 109 2,-0.3 4,-2.0 1,-0.2 3,-0.5 0.950 117.9 53.5 -54.7 -52.2 46.4 47.9 56.2 28 36 A Y H X S+ 0 0 38 -4,-3.1 4,-1.2 1,-0.3 -1,-0.2 0.871 111.3 45.1 -45.0 -48.4 49.7 46.2 56.0 29 37 A N H X S+ 0 0 76 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.3 0.773 108.7 61.0 -68.7 -28.9 50.1 47.5 52.6 30 38 A A H X S+ 0 0 34 -4,-2.0 4,-2.0 -3,-0.5 3,-0.4 0.986 102.1 47.0 -62.0 -60.7 48.9 50.9 53.9 31 39 A Y H X S+ 0 0 12 -4,-2.0 4,-3.8 1,-0.2 5,-0.3 0.801 105.1 62.6 -51.5 -38.3 51.7 51.6 56.4 32 40 A R H X S+ 0 0 144 -4,-1.2 4,-2.9 -5,-0.3 -1,-0.2 0.962 106.4 39.7 -61.2 -49.7 54.3 50.7 54.1 33 41 A K H X S+ 0 0 67 -4,-1.3 4,-3.3 -3,-0.4 -1,-0.2 0.948 117.1 51.9 -63.2 -42.2 53.7 53.3 51.6 34 42 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 5,-0.3 0.943 111.9 46.0 -51.6 -51.8 53.1 55.7 54.4 35 43 A A H X S+ 0 0 8 -4,-3.8 4,-1.2 1,-0.2 -1,-0.3 0.891 113.3 52.4 -59.8 -40.1 56.3 54.7 55.9 36 44 A S H X S+ 0 0 53 -4,-2.9 4,-1.7 -5,-0.3 -2,-0.2 0.881 106.4 49.6 -66.6 -42.9 57.8 55.0 52.5 37 45 A V H X S+ 0 0 32 -4,-3.3 4,-2.0 1,-0.2 3,-0.4 0.992 111.0 47.0 -61.0 -61.3 56.7 58.5 51.6 38 46 A I H < S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.777 105.9 61.6 -51.4 -32.6 57.8 60.2 54.8 39 47 A A H < S+ 0 0 43 -4,-1.2 -1,-0.2 -5,-0.3 -35,-0.2 0.980 108.2 42.0 -56.2 -55.1 61.1 58.4 54.5 40 48 A K H < S+ 0 0 185 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.818 95.8 115.6 -57.9 -33.6 61.8 60.2 51.3 41 49 A Y < - 0 0 45 -4,-2.0 -37,-0.2 -5,-0.2 4,-0.1 -0.164 59.5-149.4 -51.0 131.9 60.4 63.3 53.0 42 50 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.425 65.0 66.6 -78.0 -17.6 62.8 66.1 53.5 43 51 A H S S- 0 0 110 -5,-0.1 2,-1.2 -39,-0.0 -2,-0.0 -0.735 87.7 -98.9-117.3 168.3 61.5 67.8 56.6 44 52 A K - 0 0 111 -2,-0.3 -40,-0.1 2,-0.0 -41,-0.0 -0.692 47.7-132.3 -81.5 105.8 61.2 67.2 60.2 45 53 A I - 0 0 7 -2,-1.2 3,-0.1 1,-0.1 -38,-0.1 -0.354 26.3-174.7 -58.6 136.4 57.6 66.2 60.3 46 54 A K - 0 0 138 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.555 48.1 -14.8-112.0 -16.9 55.9 68.0 63.0 47 55 A S S > S- 0 0 43 1,-0.2 4,-1.5 22,-0.0 -1,-0.2 -0.977 74.3 -73.2-169.6-176.1 52.4 66.9 63.4 48 56 A G H >> S+ 0 0 4 -2,-0.3 4,-3.1 1,-0.2 3,-1.2 0.983 124.2 42.0 -56.2 -65.1 49.4 65.1 62.1 49 57 A A H 3> S+ 0 0 73 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.851 108.1 62.8 -50.8 -38.1 48.3 67.5 59.5 50 58 A E H 34 S+ 0 0 40 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.880 113.8 33.1 -55.5 -40.2 51.9 68.0 58.5 51 59 A A H X< S+ 0 0 0 -4,-1.5 3,-2.6 -3,-1.2 -2,-0.2 0.969 105.5 74.1 -70.4 -57.2 52.1 64.4 57.5 52 60 A K H 3< S+ 0 0 79 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.628 80.2 73.0 -22.1 -51.8 48.6 64.3 56.4 53 61 A K T 3< S+ 0 0 141 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.1 0.504 82.7 98.0 -52.0 -8.0 49.4 66.3 53.3 54 62 A L S < S- 0 0 33 -3,-2.6 3,-0.2 3,-0.1 2,-0.2 -0.593 85.6-102.5 -95.7 155.3 51.1 63.4 51.8 55 63 A P S S+ 0 0 100 0, 0.0 2,-0.5 0, 0.0 -18,-0.1 -0.493 113.7 16.0 -65.6 134.6 50.0 60.8 49.3 56 64 A G S S+ 0 0 37 1,-0.2 2,-1.1 -2,-0.2 5,-0.2 -0.354 98.3 111.5 95.3 -48.1 49.2 57.8 51.4 57 65 A V + 0 0 7 -2,-0.5 -1,-0.2 -6,-0.2 2,-0.1 -0.391 45.3 163.3 -70.4 104.1 49.1 59.6 54.6 58 66 A G > - 0 0 21 -2,-1.1 4,-2.5 -3,-0.1 5,-0.2 -0.344 53.8 -79.4-104.4-173.7 45.6 59.6 55.7 59 67 A T H > S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.949 120.1 55.6 -54.9 -58.0 43.8 60.2 58.8 60 68 A K H > S+ 0 0 148 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.903 114.2 38.1 -44.8 -55.5 44.5 56.8 60.4 61 69 A I H > S+ 0 0 16 1,-0.2 4,-2.1 -5,-0.2 3,-0.3 0.958 112.9 57.1 -61.3 -52.3 48.2 57.0 60.2 62 70 A A H X S+ 0 0 9 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.889 104.0 53.9 -43.1 -52.1 48.3 60.7 61.0 63 71 A E H X S+ 0 0 133 -4,-2.7 4,-1.6 1,-0.3 -1,-0.3 0.902 107.7 48.0 -53.1 -49.5 46.5 60.2 64.2 64 72 A K H X S+ 0 0 34 -4,-1.6 4,-1.2 -3,-0.3 -1,-0.3 0.838 106.6 63.3 -64.4 -27.2 48.8 57.6 65.3 65 73 A I H >X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 3,-1.3 0.981 100.6 46.1 -60.9 -59.2 51.5 60.0 64.4 66 74 A D H 3X S+ 0 0 61 -4,-2.0 4,-3.6 1,-0.3 3,-0.2 0.907 108.4 55.3 -47.9 -54.5 50.7 62.8 66.7 67 75 A E H 3X S+ 0 0 68 -4,-1.6 4,-2.7 1,-0.3 6,-0.5 0.767 113.2 44.5 -49.1 -31.9 50.3 60.6 69.7 68 76 A F H << S+ 0 0 55 -3,-1.3 -1,-0.3 -4,-1.2 -2,-0.3 0.756 111.4 51.4 -82.0 -32.9 53.7 59.4 68.9 69 77 A L H < S+ 0 0 59 -4,-2.2 -2,-0.3 -3,-0.2 -3,-0.2 0.883 119.0 40.3 -69.9 -30.6 54.7 62.9 68.4 70 78 A A H < S+ 0 0 83 -4,-3.6 2,-0.4 -5,-0.2 -2,-0.2 0.985 124.1 26.6 -75.8 -74.1 53.2 63.5 71.8 71 79 A T S < S- 0 0 69 -4,-2.7 2,-2.1 2,-0.2 -1,-0.2 -0.750 84.9-119.0 -91.7 136.9 54.2 60.5 74.0 72 80 A G S S+ 0 0 75 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.1 0.186 97.0 51.3 -65.4 32.8 57.5 58.7 73.0 73 81 A K S S- 0 0 99 -2,-2.1 2,-0.3 -6,-0.5 -2,-0.2 -0.719 70.5-139.8-144.9-166.2 55.1 55.7 72.5 74 82 A L > - 0 0 3 -2,-0.2 4,-0.8 1,-0.2 -10,-0.0 -0.939 18.5-132.0-159.0 153.0 52.0 54.5 70.9 75 83 A R H >> S+ 0 0 164 -2,-0.3 4,-2.1 2,-0.2 3,-1.5 0.987 100.1 46.2 -79.2 -65.3 49.4 52.2 72.4 76 84 A K H 3> S+ 0 0 102 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.805 113.7 54.0 -40.5 -41.8 48.6 49.6 69.8 77 85 A L H 3> S+ 0 0 21 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.909 110.4 46.1 -62.5 -43.2 52.3 49.2 69.4 78 86 A E H X S+ 0 0 124 -4,-2.1 4,-2.8 1,-0.2 3,-1.6 0.968 111.6 49.1 -53.5 -59.4 49.7 46.1 73.4 80 88 A I H 3< S+ 0 0 22 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.787 107.6 55.9 -51.7 -31.5 51.1 44.1 70.4 81 89 A R H 3< S+ 0 0 176 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.797 115.2 39.9 -73.2 -27.4 54.4 44.2 72.1 82 90 A Q H << S+ 0 0 148 -3,-1.6 -2,-0.2 -4,-1.2 -3,-0.2 0.974 88.7 97.6 -83.3 -59.5 52.7 42.7 75.0 83 91 A D X - 0 0 61 -4,-2.8 4,-3.3 1,-0.1 5,-0.3 0.012 54.9-158.3 -36.8 111.2 50.3 40.1 73.6 84 92 A D H > S+ 0 0 87 1,-0.2 4,-5.0 2,-0.2 5,-0.3 0.961 92.5 63.3 -56.6 -49.5 51.8 36.6 73.8 85 93 A T H > S+ 0 0 64 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.864 112.4 32.9 -41.3 -53.3 49.4 35.7 71.1 86 94 A S H >> S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 3,-0.7 0.942 120.5 50.0 -76.0 -41.4 50.9 38.1 68.7 87 95 A S H 3X S+ 0 0 43 -4,-3.3 4,-0.8 1,-0.3 -2,-0.2 0.833 104.2 64.3 -58.7 -31.6 54.5 37.6 70.2 88 96 A S H 3X S+ 0 0 10 -4,-5.0 4,-1.9 -5,-0.3 3,-0.3 0.872 103.5 45.2 -59.0 -43.6 53.8 33.9 69.8 89 97 A I H < S+ 0 0 66 -4,-0.8 3,-2.0 -3,-0.3 -1,-0.2 0.897 105.3 51.2 -85.3 -51.6 58.4 33.6 67.3 92 100 A L H >< S+ 0 0 0 -4,-1.9 3,-3.3 1,-0.3 -2,-0.2 0.913 97.3 68.7 -52.0 -46.2 57.2 30.6 65.3 93 101 A T T 3< S+ 0 0 48 -4,-2.0 -1,-0.3 1,-0.3 5,-0.2 0.712 79.3 79.8 -48.1 -23.8 58.1 32.2 62.1 94 102 A R T < S+ 0 0 117 -3,-2.0 2,-0.4 -5,-0.2 -1,-0.3 0.764 76.1 92.7 -61.8 -20.4 61.7 31.9 63.0 95 103 A V S X S- 0 0 3 -3,-3.3 3,-4.0 -4,-0.2 2,-0.2 -0.618 87.3-113.9 -81.8 127.7 61.5 28.3 61.9 96 104 A S T 3 S+ 0 0 43 -2,-0.4 35,-0.4 1,-0.3 36,-0.3 -0.459 110.9 25.5 -61.8 126.7 62.4 27.4 58.5 97 105 A G T 3 S+ 0 0 29 1,-0.2 2,-0.7 -2,-0.2 -1,-0.3 0.122 101.4 114.7 98.7 -8.4 59.2 26.2 57.0 98 106 A I < + 0 0 13 -3,-4.0 -1,-0.2 -5,-0.2 3,-0.0 -0.829 38.6 164.8-103.7 128.4 57.3 28.2 59.4 99 107 A G > - 0 0 22 -2,-0.7 4,-4.5 -3,-0.1 5,-0.2 -0.643 51.0 -91.0-124.2 177.7 55.3 31.0 58.2 100 108 A P H > S+ 0 0 43 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.859 123.3 51.2 -54.3 -50.5 52.6 33.3 59.4 101 109 A S H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.917 119.2 38.6 -58.7 -45.2 49.8 31.1 58.1 102 110 A A H > S+ 0 0 19 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.949 111.0 57.9 -71.6 -42.8 51.4 28.3 60.0 103 111 A A H X S+ 0 0 0 -4,-4.5 4,-1.0 1,-0.2 -2,-0.2 0.882 109.8 46.1 -51.9 -43.2 52.4 30.4 62.9 104 112 A R H >X S+ 0 0 56 -4,-3.2 4,-2.0 2,-0.2 3,-0.6 0.979 115.0 43.0 -68.7 -50.6 48.9 31.3 63.4 105 113 A K H 3X S+ 0 0 100 -4,-2.0 4,-2.2 1,-0.3 3,-0.5 0.968 111.5 57.3 -54.2 -54.0 47.3 27.9 63.1 106 114 A F H 3<>S+ 0 0 0 -4,-3.8 5,-1.4 1,-0.3 -1,-0.3 0.742 107.6 50.3 -47.4 -30.0 50.2 26.5 65.2 107 115 A V H <<5S+ 0 0 9 -4,-1.0 3,-0.5 -3,-0.6 -1,-0.3 0.883 103.5 55.1 -80.3 -42.9 49.1 28.9 67.7 108 116 A D H <5S+ 0 0 136 -4,-2.0 -2,-0.2 -3,-0.5 -1,-0.2 0.843 105.2 52.4 -64.3 -27.4 45.5 28.1 67.8 109 117 A E T <5S- 0 0 123 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.754 127.5-110.4 -77.9 -13.8 46.2 24.6 68.4 110 118 A G T 5 + 0 0 33 -3,-0.5 -3,-0.2 -5,-0.4 3,-0.2 0.315 69.4 143.8 111.3 -13.0 48.2 26.1 71.1 111 119 A I < + 0 0 6 -5,-1.4 -1,-0.4 -6,-0.2 -2,-0.1 -0.480 14.1 141.1 -61.9 127.4 51.7 25.4 70.0 112 120 A K + 0 0 68 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.435 47.1 64.8-143.2 -20.1 53.6 28.4 71.1 113 121 A T S > S- 0 0 56 -3,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.850 80.9-120.6-113.2 152.1 56.9 27.4 72.3 114 122 A L H > S+ 0 0 27 -2,-0.4 4,-1.7 1,-0.3 5,-0.1 0.863 122.5 55.3 -54.9 -31.5 59.7 25.9 70.5 115 123 A E H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.936 99.5 60.2 -68.8 -36.7 59.2 23.1 72.9 116 124 A D H > S+ 0 0 45 -3,-0.3 4,-0.6 1,-0.3 -2,-0.2 0.920 101.3 55.0 -54.8 -41.6 55.6 23.0 71.8 117 125 A L H >< S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.2 -1,-0.3 0.921 103.8 51.6 -58.8 -46.6 56.8 22.2 68.5 118 126 A R H >< S+ 0 0 123 -4,-1.7 3,-2.6 1,-0.3 -1,-0.2 0.957 104.8 57.9 -53.8 -51.0 58.9 19.2 69.6 119 127 A K H 3< S+ 0 0 160 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.660 116.3 35.1 -56.1 -16.5 56.0 17.8 71.4 120 128 A N T X< + 0 0 38 -3,-1.6 3,-1.8 -4,-0.6 4,-0.3 -0.033 69.7 144.3-133.4 37.6 54.1 17.9 68.2 121 129 A E G X S+ 0 0 108 -3,-2.6 3,-1.1 1,-0.3 -2,-0.1 0.731 73.6 60.2 -44.4 -30.2 56.9 17.1 65.8 122 130 A D G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.899 92.0 63.8 -68.5 -41.1 54.3 15.2 63.8 123 131 A K G < S+ 0 0 87 -3,-1.8 2,-0.3 -6,-0.2 -1,-0.3 0.524 99.1 75.7 -62.2 -0.8 52.2 18.3 63.3 124 132 A L S < S- 0 0 6 -3,-1.1 2,-0.2 -4,-0.3 -27,-0.0 -0.862 79.2-125.4-114.6 150.3 55.1 19.6 61.4 125 133 A N > - 0 0 89 -2,-0.3 4,-2.8 -28,-0.1 5,-0.3 -0.574 38.9 -93.6 -93.2 155.5 56.4 18.7 57.9 126 134 A H H > S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.685 122.8 55.2 -35.0 -34.1 59.9 17.6 56.9 127 135 A H H > S+ 0 0 45 2,-0.2 4,-4.9 1,-0.2 -1,-0.2 0.992 114.5 34.5 -64.2 -73.2 60.9 21.3 56.2 128 136 A Q H > S+ 0 0 11 1,-0.3 4,-5.3 2,-0.3 -2,-0.2 0.768 115.4 59.1 -50.3 -32.2 59.9 22.7 59.5 129 137 A R H X S+ 0 0 99 -4,-2.8 4,-4.0 2,-0.3 -1,-0.3 0.971 113.4 36.8 -65.0 -51.8 61.0 19.6 61.1 130 138 A I H X S+ 0 0 5 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.3 0.923 116.3 55.6 -63.5 -39.0 64.4 20.1 59.7 131 139 A G H < S+ 0 0 2 -4,-4.9 -2,-0.3 -35,-0.4 -3,-0.2 0.968 114.1 39.4 -52.2 -57.3 63.8 23.7 60.3 132 140 A L H >< S+ 0 0 11 -4,-5.3 3,-2.0 -36,-0.3 4,-0.2 0.898 110.3 60.3 -57.9 -50.2 63.1 22.9 64.0 133 141 A K H 3< S+ 0 0 127 -4,-4.0 2,-0.9 1,-0.3 3,-0.4 0.927 116.6 29.6 -42.2 -79.9 65.9 20.2 64.3 134 142 A Y T 3X S+ 0 0 16 -4,-1.5 4,-2.0 1,-0.2 -1,-0.3 -0.062 84.0 133.4 -73.5 32.7 68.8 22.6 63.4 135 143 A F H <> S+ 0 0 29 -3,-2.0 4,-0.9 -2,-0.9 3,-0.4 0.924 73.0 43.1 -50.3 -54.3 67.0 25.6 64.9 136 144 A G H >> S+ 0 0 41 -3,-0.4 3,-2.5 -4,-0.2 4,-0.7 0.979 112.1 53.0 -54.3 -70.7 70.0 26.8 66.9 137 145 A D H 34 S+ 0 0 35 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.695 102.4 60.5 -36.3 -34.9 72.5 26.3 64.1 138 146 A F H 3< S+ 0 0 51 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.838 98.7 55.7 -70.5 -27.4 70.4 28.3 61.6 139 147 A E H << S+ 0 0 99 -3,-2.5 -1,-0.2 -4,-0.9 -2,-0.2 0.804 89.3 94.0 -73.1 -27.9 70.5 31.5 63.5 140 148 A K S < S- 0 0 109 -4,-0.7 2,-0.1 -3,-0.3 0, 0.0 -0.286 76.6-119.1 -67.8 145.6 74.3 31.6 63.6 141 149 A R - 0 0 136 1,-0.1 40,-0.2 -2,-0.0 -1,-0.1 -0.497 27.1-108.0 -84.2 157.9 76.3 33.5 61.1 142 150 A I E -A 180 0A 0 38,-4.1 38,-1.6 -2,-0.1 2,-0.1 -0.760 26.1-132.6 -92.7 113.3 78.8 31.9 58.7 143 151 A P E > -A 179 0A 35 0, 0.0 4,-4.6 0, 0.0 3,-0.2 -0.395 6.5-140.3 -66.2 134.7 82.5 32.5 59.3 144 152 A R H > S+ 0 0 64 34,-2.2 4,-1.6 1,-0.3 5,-0.2 0.808 109.2 60.7 -58.5 -29.1 84.5 33.5 56.2 145 153 A E H > S+ 0 0 120 33,-0.3 4,-1.0 2,-0.2 3,-0.3 0.966 113.0 34.0 -61.7 -48.2 87.0 31.3 57.7 146 154 A E H > S+ 0 0 25 -3,-0.2 4,-2.4 1,-0.2 3,-0.4 0.915 109.4 69.7 -67.5 -46.9 84.5 28.4 57.5 147 155 A M H X S+ 0 0 2 -4,-4.6 4,-2.0 1,-0.3 -1,-0.2 0.723 100.4 45.0 -40.6 -41.0 83.2 29.9 54.3 148 156 A L H X S+ 0 0 70 -4,-1.6 4,-3.8 -3,-0.3 -1,-0.3 0.873 108.5 55.6 -78.1 -41.0 86.3 29.0 52.4 149 157 A Q H X S+ 0 0 65 -4,-1.0 4,-2.7 -3,-0.4 -2,-0.2 0.945 114.1 41.8 -56.2 -45.4 86.7 25.5 53.8 150 158 A M H X S+ 0 0 3 -4,-2.4 4,-3.4 2,-0.2 -1,-0.2 0.950 113.1 53.2 -59.0 -56.7 83.2 24.8 52.6 151 159 A Q H X S+ 0 0 64 -4,-2.0 4,-2.0 1,-0.2 5,-0.3 0.901 109.5 49.1 -43.8 -59.3 83.8 26.6 49.3 152 160 A D H X S+ 0 0 88 -4,-3.8 4,-2.0 1,-0.3 -1,-0.2 0.917 111.4 50.5 -47.8 -55.4 86.9 24.5 48.8 153 161 A I H X S+ 0 0 47 -4,-2.7 4,-1.1 -5,-0.3 -1,-0.3 0.898 108.1 50.5 -55.6 -45.9 84.9 21.4 49.5 154 162 A V H >X S+ 0 0 5 -4,-3.4 4,-1.9 1,-0.2 3,-1.5 0.958 109.7 48.7 -60.4 -48.2 82.1 22.1 47.2 155 163 A L H 3X S+ 0 0 53 -4,-2.0 4,-2.1 1,-0.3 5,-0.4 0.830 102.2 70.2 -56.2 -31.7 84.3 22.8 44.3 156 164 A N H 3X S+ 0 0 76 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.3 0.859 105.6 33.1 -57.2 -38.2 85.9 19.8 45.1 157 165 A E H < - 0 0 46 -4,-1.8 3,-0.9 -5,-0.2 -1,-0.3 -0.999 50.2-150.4-140.3 140.6 82.8 16.5 35.8 163 171 A S T 3 S+ 0 0 82 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.665 93.4 74.2 -77.4 -20.8 85.3 19.0 34.8 164 172 A E T 3 S+ 0 0 117 -5,-0.1 -1,-0.2 -6,-0.1 2,-0.2 0.519 77.8 107.2 -72.2 -3.1 82.9 20.7 32.6 165 173 A Y < - 0 0 15 -3,-0.9 2,-0.4 -7,-0.3 24,-0.2 -0.533 48.6-168.3 -83.9 151.8 81.1 22.1 35.5 166 174 A I E +B 188 0B 68 22,-1.6 22,-0.6 -2,-0.2 2,-0.4 -0.992 12.8 169.9-135.1 120.5 81.2 25.6 36.6 167 175 A A E -B 187 0B 14 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.971 10.8-166.1-132.8 146.8 79.9 26.6 40.0 168 176 A T E -B 186 0B 30 18,-1.6 18,-4.8 -2,-0.4 2,-0.9 -0.966 20.0-138.8-140.8 126.4 80.1 29.8 41.9 169 177 A V E -B 185 0B 8 -2,-0.4 16,-0.3 16,-0.3 80,-0.0 -0.665 37.0-169.4 -78.0 114.0 79.4 30.7 45.4 170 178 A C + 0 0 1 14,-4.0 14,-0.4 -2,-0.9 3,-0.4 -0.073 34.0 50.1 -89.6-159.5 77.8 33.9 45.0 171 179 A G S S- 0 0 11 1,-0.2 3,-0.5 2,-0.2 4,-0.2 -0.264 105.1 -26.4 77.8-160.1 76.8 36.5 47.5 172 180 A S S >S+ 0 0 24 2,-0.3 5,-1.2 1,-0.3 -1,-0.2 0.713 128.7 63.8 -58.9 -39.6 78.7 38.4 50.3 173 181 A F T > 5S+ 0 0 14 -3,-0.4 3,-0.6 1,-0.3 -1,-0.3 0.868 107.9 47.1 -55.1 -36.8 81.1 35.7 50.8 174 182 A R T 3 5S+ 0 0 53 -3,-0.5 -2,-0.3 -4,-0.3 -1,-0.3 0.677 103.7 59.7 -75.4 -28.9 81.9 36.8 47.2 175 183 A R T 3 5S- 0 0 77 -4,-0.2 -1,-0.2 -5,-0.1 -2,-0.2 0.196 124.1-102.0 -88.4 14.3 81.9 40.5 48.2 176 184 A G T < 5 + 0 0 35 -3,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.036 66.8 168.4 87.4 -22.5 84.8 39.8 50.6 177 185 A A < - 0 0 30 -5,-1.2 -1,-0.2 1,-0.1 3,-0.1 0.318 41.9-129.0 -22.8 135.8 82.2 39.9 53.5 178 186 A E S S+ 0 0 141 1,-0.1 -34,-2.2 -35,-0.1 -33,-0.3 0.802 85.7 10.6 -64.9 -30.4 83.4 38.6 56.9 179 187 A S E -A 143 0A 42 -36,-0.2 2,-0.2 -35,-0.1 -1,-0.1 -0.980 63.2-156.0-148.9 159.8 80.4 36.3 57.4 180 188 A S E -A 142 0A 2 -38,-1.6 -38,-4.1 -2,-0.3 3,-0.1 -0.750 19.1-137.6-128.1 174.0 77.4 34.8 55.5 181 189 A G S S- 0 0 33 1,-0.5 65,-0.4 -2,-0.2 2,-0.3 0.866 85.1 -17.3 -93.8 -63.8 74.0 33.4 56.3 182 190 A D S S- 0 0 61 63,-0.1 -1,-0.5 -40,-0.1 2,-0.3 -0.968 76.4-105.0-140.5 148.7 73.9 30.4 54.0 183 191 A M E - c 0 247B 3 63,-1.1 65,-1.8 -2,-0.3 2,-0.4 -0.694 25.6-161.3 -91.2 148.1 76.0 29.6 51.0 184 192 A D E - c 0 248B 34 -14,-0.4 -14,-4.0 -2,-0.3 2,-0.9 -0.955 3.4-170.5-126.2 105.9 74.9 29.8 47.3 185 193 A V E -Bc 169 249B 1 63,-1.8 65,-1.3 -2,-0.4 2,-0.7 -0.831 15.7-146.7 -97.3 108.9 76.6 28.1 44.7 186 194 A L E -Bc 168 250B 4 -18,-4.8 -18,-1.6 -2,-0.9 65,-0.1 -0.662 24.0-160.0 -77.9 113.0 75.4 29.2 41.3 187 195 A L E +B 167 0B 0 63,-2.4 2,-0.3 -2,-0.7 -20,-0.2 -0.429 22.3 145.4 -93.2 168.0 75.6 26.2 39.1 188 196 A T E -B 166 0B 1 -22,-0.6 -22,-1.6 63,-0.2 3,-0.1 -0.937 21.5-154.3 177.4 169.8 75.7 25.7 35.3 189 197 A H B > -f 253 0C 12 63,-1.1 3,-2.2 3,-0.5 65,-0.9 -0.957 28.4-117.1-166.8 144.4 77.2 23.6 32.6 190 198 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 64,-0.1 0.896 111.4 57.4 -46.6 -56.2 78.1 23.8 29.0 191 199 A S T 3 S+ 0 0 58 1,-0.1 2,-0.5 -3,-0.1 -27,-0.0 0.551 102.1 75.9 -61.6 -1.1 75.7 21.2 27.8 192 200 A F < + 0 0 22 -3,-2.2 62,-3.3 60,-0.2 -3,-0.5 -0.953 58.3 124.3-125.7 126.5 73.0 23.3 29.3 193 201 A T - 0 0 37 -2,-0.5 5,-0.3 60,-0.3 -2,-0.0 -0.929 69.9 -51.3-158.7 177.0 71.6 26.5 28.1 194 202 A S S S+ 0 0 62 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.586 130.9 15.4 -31.9 -22.4 68.5 28.6 27.0 195 203 A E S S+ 0 0 149 1,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.751 86.6 102.9-121.4 -64.1 67.4 25.8 24.7 196 204 A S S S- 0 0 50 1,-0.2 -3,-0.3 3,-0.0 2,-0.1 0.072 85.2-118.2 -29.1 74.5 69.1 22.4 25.2 197 205 A T - 0 0 129 -2,-0.5 -1,-0.2 -5,-0.1 -3,-0.1 0.094 54.1 -73.3 -30.7 83.3 66.0 21.0 27.0 198 206 A K - 0 0 102 -5,-0.3 -5,-0.1 -3,-0.2 -3,-0.0 0.274 25.7-146.0 50.0-178.8 67.3 20.2 30.3 199 207 A Q > - 0 0 85 25,-0.2 3,-5.4 -7,-0.1 4,-0.3 -0.259 19.7-174.2 176.8 60.2 69.6 17.5 31.7 200 208 A P T >> S+ 0 0 53 0, 0.0 4,-1.5 0, 0.0 3,-0.9 0.776 82.1 66.1 -38.5 -39.3 68.0 17.2 35.2 201 209 A K H 3> S+ 0 0 131 1,-0.3 4,-4.2 2,-0.2 5,-0.2 0.753 82.8 80.1 -59.0 -21.5 70.8 14.8 36.2 202 210 A L H <> S+ 0 0 2 -3,-5.4 4,-1.2 2,-0.2 -1,-0.3 0.958 106.3 27.2 -48.5 -55.6 72.9 17.9 35.8 203 211 A L H X> S+ 0 0 0 -3,-0.9 4,-1.1 -4,-0.3 3,-1.0 0.999 120.9 54.8 -65.2 -69.5 71.7 18.9 39.3 204 212 A H H 3X S+ 0 0 49 -4,-1.5 4,-1.7 1,-0.3 -2,-0.2 0.688 101.0 61.1 -33.3 -38.6 71.1 15.5 40.6 205 213 A Q H 3X S+ 0 0 80 -4,-4.2 4,-1.9 -5,-0.2 -1,-0.3 0.987 110.3 39.1 -58.6 -58.6 74.6 14.5 39.8 206 214 A V H XX S+ 0 0 3 -4,-1.2 4,-2.5 -3,-1.0 3,-0.6 0.924 111.4 53.2 -49.9 -65.9 76.1 17.1 42.1 207 215 A V H 3X S+ 0 0 1 -4,-1.1 4,-2.1 1,-0.3 -1,-0.2 0.824 110.4 52.2 -38.2 -46.2 73.7 16.9 45.0 208 216 A E H 3X S+ 0 0 119 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.3 0.913 106.9 52.1 -58.3 -50.3 74.4 13.3 45.0 209 217 A Q H S+ 0 0 3 -4,-2.5 5,-3.2 1,-0.3 6,-0.8 0.860 113.0 50.2 -57.0 -35.1 78.0 16.1 48.0 211 219 A Q H <5S+ 0 0 73 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.3 0.842 108.0 57.2 -65.9 -38.2 75.7 13.7 49.8 212 220 A K H <5S+ 0 0 147 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.992 109.5 39.5 -54.8 -73.8 78.2 11.1 48.9 213 221 A V T <5S- 0 0 61 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.509 119.4-109.3 -57.8 -4.8 81.1 12.7 50.5 214 222 A H T 5S+ 0 0 150 -4,-0.4 -3,-0.2 -3,-0.3 18,-0.1 0.707 84.1 118.3 84.5 21.1 78.9 13.7 53.5 215 223 A F S - 0 0 32 1,-0.1 3,-0.6 7,-0.1 6,-0.2 -0.539 40.5-127.4 -65.4 98.4 84.0 17.8 62.4 236 244 A K T 3 - 0 0 94 -2,-1.0 2,-2.7 4,-0.2 -1,-0.1 0.749 59.1 -28.7 -24.2-164.2 87.8 17.6 62.7 237 245 A N T 3 S- 0 0 153 1,-0.1 -1,-0.2 2,-0.1 4,-0.0 -0.349 103.8 -78.9 -69.4 77.0 89.8 15.5 65.1 238 246 A D S < S+ 0 0 137 -2,-2.7 2,-0.1 -3,-0.6 -1,-0.1 0.494 106.2 67.6 44.8 163.9 87.2 15.2 67.8 239 247 A E S S+ 0 0 178 -3,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.112 97.9 53.4 88.3 -33.0 86.3 17.8 70.5 240 248 A K - 0 0 130 -2,-0.1 -4,-0.2 -4,-0.0 2,-0.1 -0.758 63.8-173.9-141.6 98.1 84.8 20.4 68.2 241 249 A E - 0 0 133 -2,-0.3 -4,-0.0 -6,-0.2 -8,-0.0 -0.313 28.9-105.9 -82.7 162.1 81.9 19.7 65.6 242 250 A Y - 0 0 42 -9,-0.4 -7,-0.1 -2,-0.1 -1,-0.1 -0.602 28.9-111.0 -91.8 152.5 80.5 22.2 63.1 243 251 A P - 0 0 21 0, 0.0 2,-0.6 0, 0.0 -10,-0.4 -0.402 42.7 -99.4 -69.5 159.3 77.3 23.9 63.3 244 252 A H - 0 0 32 -12,-0.1 2,-0.2 -110,-0.1 -12,-0.2 -0.782 45.3-152.5 -89.4 115.8 74.6 22.7 60.6 245 253 A R E - E 0 231B 15 -14,-2.4 -14,-2.7 -2,-0.6 2,-0.7 -0.527 14.3-124.4 -99.3 153.3 74.4 25.1 57.6 246 254 A R E + E 0 230B 34 -65,-0.4 -63,-1.1 -16,-0.2 2,-0.4 -0.684 34.5 179.7 -85.0 121.4 71.9 26.1 55.1 247 255 A I E -cE 183 229B 2 -18,-1.7 -18,-2.8 -2,-0.7 2,-0.3 -0.904 14.2-168.4-127.2 161.3 72.9 25.7 51.6 248 256 A D E -cE 184 228B 16 -65,-1.8 -63,-1.8 -2,-0.4 2,-0.4 -0.993 3.4-176.5-144.1 129.9 71.4 26.3 48.2 249 257 A I E -cE 185 227B 4 -22,-1.3 -22,-1.9 -2,-0.3 2,-0.3 -0.989 6.6-172.8-129.8 139.6 72.5 25.1 44.8 250 258 A R E -cE 186 226B 59 -65,-1.3 -63,-2.4 -2,-0.4 -24,-0.2 -0.996 19.9-126.9-138.2 135.6 70.9 26.0 41.4 251 259 A L - 0 0 16 -26,-2.6 -63,-0.2 -2,-0.3 -84,-0.0 -0.443 29.8-168.6 -78.1 149.2 71.4 25.0 37.8 252 260 A I - 0 0 28 -2,-0.1 -63,-1.1 -66,-0.1 2,-0.6 -0.998 30.0-112.2-145.9 146.4 71.9 27.5 35.1 253 261 A P B >> -f 189 0C 17 0, 0.0 3,-2.4 0, 0.0 4,-0.5 -0.622 31.6-131.9 -70.8 118.7 72.0 27.9 31.4 254 262 A K T 34 S+ 0 0 66 -62,-3.3 4,-0.2 -65,-0.9 3,-0.2 0.660 106.9 70.6 -48.8 -12.3 75.6 28.7 30.6 255 263 A D T 34 S+ 0 0 71 -63,-0.2 -1,-0.3 1,-0.2 50,-0.2 0.209 108.7 30.4 -90.8 17.7 74.1 31.4 28.5 256 264 A Q T <> S+ 0 0 35 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-146,-0.0 -0.126 25.9-115.2 -55.7 153.1 85.6 43.6 41.8 322 330 A P S > S+ 0 0 26 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.838 122.1 64.3 -58.7 -26.6 83.1 41.6 43.9 323 331 A K T 3 S+ 0 0 139 1,-0.3 2,-0.5 2,-0.1 3,-0.3 0.953 105.1 42.8 -54.9 -55.2 84.9 43.3 46.6 324 332 A D T 3 S+ 0 0 74 -3,-0.2 -1,-0.3 1,-0.2 3,-0.2 -0.245 77.3 103.1 -88.9 41.7 83.7 46.6 45.3 325 333 A R < + 0 0 0 -3,-1.3 -55,-0.6 -2,-0.5 -1,-0.2 0.135 47.7 129.3-103.5 12.8 80.1 45.7 44.5 326 334 A S 0 0 80 -3,-0.3 -59,-0.2 1,-0.2 -57,-0.2 0.576 360.0 360.0 -41.7 -33.9 79.3 47.6 47.8 327 335 A E 0 0 143 -3,-0.2 -1,-0.2 -58,-0.1 -54,-0.2 0.435 360.0 360.0-176.4 360.0 76.5 49.9 46.6