==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 12-APR-96 1ZQN . 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) . 18107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 69.1 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 . 1 0.3 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 . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.6 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 0 1 2 1 1 0 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 0 215 0, 0.0 39,-0.1 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -21.4 66.9 58.0 56.7 2 10 A T + 0 0 129 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.295 360.0 61.7-158.5 -26.3 66.9 59.4 60.2 3 11 A L S S+ 0 0 62 1,-0.2 42,-0.3 2,-0.1 4,-0.2 0.857 116.5 35.9 -78.5 -31.3 64.6 62.4 60.2 4 12 A N S > S+ 0 0 7 35,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.509 93.3 111.6 -92.3 -10.7 61.7 60.3 59.2 5 13 A G H > + 0 0 14 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.643 69.9 44.5 -25.2 -75.7 62.9 57.2 61.3 6 14 A G H > S+ 0 0 34 -4,-0.3 4,-4.0 1,-0.2 5,-0.3 0.929 115.8 53.9 -48.2 -53.7 60.4 56.6 64.2 7 15 A I H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 112.0 39.6 -51.7 -49.2 57.7 57.1 61.7 8 16 A T H X S+ 0 0 20 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.910 117.0 49.8 -70.4 -40.1 58.8 54.6 59.3 9 17 A D H X S+ 0 0 100 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.916 113.3 45.6 -60.9 -44.2 59.9 52.2 61.9 10 18 A M H X S+ 0 0 7 -4,-4.0 4,-3.3 1,-0.2 -1,-0.2 0.899 112.7 52.6 -59.6 -45.2 56.6 52.4 63.7 11 19 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.831 110.2 44.8 -56.1 -50.1 54.7 52.2 60.5 12 20 A T H X S+ 0 0 55 -4,-2.3 4,-2.8 2,-0.3 5,-0.3 0.860 111.2 54.9 -68.3 -42.0 56.5 49.0 59.3 13 21 A E H X S+ 0 0 96 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.981 111.0 46.3 -53.2 -57.9 56.0 47.6 62.8 14 22 A L H X S+ 0 0 0 -4,-3.3 4,-1.6 1,-0.2 -2,-0.3 0.886 115.2 46.6 -47.6 -50.3 52.3 48.4 62.3 15 23 A A H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.971 106.5 55.6 -58.6 -56.0 52.3 46.8 58.8 16 24 A N H X S+ 0 0 82 -4,-2.8 4,-2.0 1,-0.2 5,-0.3 0.781 106.6 55.0 -47.7 -31.9 54.1 43.6 59.7 17 25 A F H <>S+ 0 0 37 -4,-1.6 5,-1.5 -5,-0.3 4,-0.4 0.985 106.4 45.0 -71.0 -56.2 51.5 43.0 62.2 18 26 A E H <5S+ 0 0 8 -4,-1.6 6,-0.6 1,-0.2 -2,-0.2 0.923 115.2 52.1 -51.9 -43.7 48.5 43.2 60.0 19 27 A K H <5S+ 0 0 82 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.948 123.5 23.2 -56.0 -55.9 50.3 41.0 57.6 20 28 A N T <5S+ 0 0 19 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.980 129.9 31.4 -78.3 -83.7 51.3 38.3 60.1 21 29 A V T 5S+ 0 0 29 -4,-0.4 -3,-0.2 -5,-0.3 2,-0.2 0.840 130.6 30.6 -50.2 -40.6 49.0 38.1 63.0 22 30 A S S + 0 0 27 -6,-0.6 4,-3.4 1,-0.2 5,-0.2 -0.308 19.2 169.8 -61.2 64.9 44.8 42.3 56.6 25 33 A I H > S+ 0 0 94 -2,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.847 77.7 45.7 -44.3 -48.2 46.8 42.3 53.3 26 34 A H H > S+ 0 0 149 2,-0.3 4,-3.9 1,-0.2 -1,-0.2 0.900 112.6 47.6 -65.2 -49.6 45.4 45.7 52.4 27 35 A K H > S+ 0 0 111 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.916 114.4 51.2 -57.3 -42.7 46.0 47.3 55.8 28 36 A Y H X S+ 0 0 35 -4,-3.4 4,-1.5 1,-0.2 -2,-0.3 0.950 111.2 43.0 -60.0 -48.8 49.2 45.8 55.5 29 37 A N H X S+ 0 0 81 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.802 111.9 58.9 -64.5 -34.3 49.8 47.3 52.0 30 38 A A H X S+ 0 0 35 -4,-3.9 4,-1.6 2,-0.2 5,-0.3 0.961 105.6 45.7 -60.9 -55.4 48.3 50.5 53.4 31 39 A Y H X S+ 0 0 13 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.914 111.9 55.0 -54.0 -43.8 51.0 50.9 56.2 32 40 A R H X S+ 0 0 138 -4,-1.5 4,-1.3 -5,-0.2 -1,-0.2 0.822 105.2 46.6 -61.7 -42.8 53.7 50.1 53.8 33 41 A K H X S+ 0 0 75 -4,-1.8 4,-3.1 -3,-0.2 -1,-0.2 0.949 116.7 45.8 -67.0 -43.9 53.1 52.7 51.1 34 42 A A H X S+ 0 0 0 -4,-1.6 4,-4.3 1,-0.3 5,-0.4 0.947 110.8 51.4 -54.8 -56.5 52.8 55.4 53.6 35 43 A A H X S+ 0 0 7 -4,-2.8 4,-0.9 -5,-0.3 -1,-0.3 0.781 112.1 51.8 -50.3 -33.1 55.8 54.2 55.4 36 44 A S H < S+ 0 0 53 -4,-1.3 4,-0.5 2,-0.2 -2,-0.3 0.947 114.3 38.1 -68.2 -59.7 57.4 54.4 52.0 37 45 A V H >X S+ 0 0 32 -4,-3.1 4,-1.6 1,-0.2 3,-1.5 0.884 111.4 56.5 -65.0 -46.3 56.3 58.0 51.2 38 46 A I H 3< S+ 0 0 0 -4,-4.3 -1,-0.2 1,-0.3 -2,-0.2 0.864 105.2 57.2 -55.3 -32.3 56.9 59.4 54.7 39 47 A A T 3< S+ 0 0 48 -4,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.652 105.3 48.8 -65.6 -26.9 60.5 58.0 54.3 40 48 A K T <4 S+ 0 0 175 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.786 84.5 110.2 -84.8 -33.8 61.1 60.0 51.1 41 49 A Y < - 0 0 47 -4,-1.6 4,-0.1 1,-0.1 -37,-0.1 -0.297 63.5-143.7 -56.6 127.0 59.8 63.3 52.5 42 50 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.117 71.9 66.6 -72.8 1.4 62.6 65.7 53.1 43 51 A H S S- 0 0 104 -39,-0.0 2,-0.5 -40,-0.0 -2,-0.0 -0.854 89.7 -97.7-128.7 168.6 61.3 67.3 56.1 44 52 A K - 0 0 105 -2,-0.3 2,-0.4 1,-0.1 -40,-0.1 -0.673 43.7-122.7 -79.2 122.6 60.8 66.3 59.7 45 53 A I - 0 0 6 -2,-0.5 3,-0.1 -42,-0.3 -38,-0.1 -0.510 31.1-177.8 -70.5 127.6 57.1 65.5 60.1 46 54 A K - 0 0 150 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.495 60.5 -5.7-103.6 -3.0 55.7 67.7 62.7 47 55 A S S > S- 0 0 34 1,-0.2 4,-2.3 22,-0.0 -1,-0.3 -0.979 70.8 -99.5-176.8 168.0 52.3 66.5 62.9 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-4.7 1,-0.2 5,-0.2 0.973 117.6 59.8 -61.8 -52.5 49.8 64.3 61.3 49 57 A A H > S+ 0 0 71 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.819 107.9 45.3 -39.3 -48.4 48.3 67.1 59.4 50 58 A E H >4 S+ 0 0 36 2,-0.2 3,-0.9 1,-0.2 -1,-0.3 0.950 117.2 43.9 -61.2 -53.3 51.6 67.7 57.7 51 59 A A H >< S+ 0 0 0 -4,-2.3 3,-2.6 1,-0.2 -2,-0.2 0.900 105.2 65.2 -52.7 -53.1 52.1 64.0 57.1 52 60 A K H 3< S+ 0 0 88 -4,-4.7 5,-0.3 1,-0.3 -1,-0.2 0.700 81.2 74.4 -44.5 -36.5 48.6 63.6 56.0 53 61 A K T << S+ 0 0 169 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.720 85.9 104.1 -55.5 -17.3 49.0 65.9 52.9 54 62 A L S X S- 0 0 38 -3,-2.6 3,-1.2 -4,-0.2 2,-0.6 -0.065 86.8 -98.4 -67.7 161.4 50.8 62.9 51.6 55 63 A P T 3 S+ 0 0 93 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.695 110.9 11.5 -84.1 123.1 49.7 60.3 49.2 56 64 A G T 3 S+ 0 0 35 -2,-0.6 2,-1.1 1,-0.2 -22,-0.2 0.441 97.7 122.0 88.6 3.3 48.5 57.3 51.0 57 65 A V < + 0 0 8 -3,-1.2 -1,-0.2 -5,-0.3 2,-0.1 -0.793 39.8 168.8-102.3 104.9 48.5 59.1 54.1 58 66 A G > - 0 0 27 -2,-1.1 4,-2.2 -3,-0.1 5,-0.2 -0.337 48.9 -83.7-102.6-169.6 45.1 59.1 55.5 59 67 A T H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.835 120.0 55.2 -59.3 -48.9 43.3 59.9 58.6 60 68 A K H > S+ 0 0 140 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.919 115.1 34.5 -57.1 -52.4 44.0 56.7 60.3 61 69 A I H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.806 113.8 58.1 -72.8 -36.8 47.8 56.8 60.1 62 70 A A H X S+ 0 0 7 -4,-2.2 4,-1.9 1,-0.3 -2,-0.2 0.973 105.7 52.2 -59.0 -49.3 48.1 60.5 60.5 63 71 A E H X S+ 0 0 135 -4,-2.5 4,-1.5 1,-0.3 -1,-0.3 0.839 108.0 50.1 -54.5 -33.3 46.3 60.0 63.7 64 72 A K H X S+ 0 0 39 -4,-0.8 4,-2.6 1,-0.2 5,-0.3 0.934 105.7 58.0 -72.7 -40.1 48.8 57.4 64.7 65 73 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.898 104.8 50.3 -54.2 -41.0 51.6 59.9 63.8 66 74 A D H X S+ 0 0 71 -4,-1.9 4,-3.8 2,-0.2 5,-0.2 0.987 108.4 50.5 -61.8 -57.7 50.4 62.5 66.2 67 75 A E H X S+ 0 0 77 -4,-1.5 4,-2.5 1,-0.3 6,-0.5 0.876 114.9 45.9 -44.7 -45.9 50.2 60.0 69.2 68 76 A F H < S+ 0 0 55 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.938 114.6 45.0 -67.4 -45.9 53.7 59.0 68.4 69 77 A L H < S+ 0 0 60 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.938 118.2 44.5 -64.0 -42.5 55.1 62.4 68.0 70 78 A A H < S+ 0 0 87 -4,-3.8 2,-0.4 -5,-0.2 -2,-0.2 0.969 126.5 24.3 -61.9 -61.6 53.3 63.6 71.1 71 79 A T S < S- 0 0 70 -4,-2.5 2,-0.9 -5,-0.2 -1,-0.1 -0.825 90.0-117.8-101.2 137.9 54.1 60.7 73.4 72 80 A G S S+ 0 0 78 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.1 0.207 90.8 39.0 -68.4 29.5 57.1 58.8 72.5 73 81 A K S S- 0 0 105 -2,-0.9 2,-0.2 -6,-0.5 -2,-0.2 -0.505 70.9-124.9-143.6-149.9 55.1 55.6 72.0 74 82 A L > - 0 0 2 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.782 12.7-142.5-171.1 122.0 51.9 54.2 70.6 75 83 A R H > S+ 0 0 162 -2,-0.2 4,-3.7 2,-0.2 5,-0.3 0.973 101.0 53.0 -59.7 -53.8 49.4 52.0 72.6 76 84 A K H > S+ 0 0 69 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.866 112.6 47.9 -47.1 -39.2 48.5 49.6 69.7 77 85 A L H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.960 114.1 43.7 -72.3 -43.0 52.0 49.1 69.3 78 86 A E H X S+ 0 0 76 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.912 114.3 51.2 -67.0 -34.9 52.5 48.5 73.0 79 87 A K H X S+ 0 0 127 -4,-3.7 4,-2.9 2,-0.2 -1,-0.2 0.935 114.1 43.4 -64.5 -47.1 49.4 46.3 73.2 80 88 A I H < S+ 0 0 23 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.917 109.2 55.7 -63.8 -46.4 50.6 44.2 70.2 81 89 A R H < S+ 0 0 189 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.802 114.4 43.0 -55.4 -31.6 54.2 44.0 71.5 82 90 A Q H < S+ 0 0 140 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.914 87.0 112.5 -80.7 -52.0 52.6 42.5 74.7 83 91 A D X - 0 0 64 -4,-2.9 4,-4.5 1,-0.2 5,-0.2 0.055 52.9-158.7 -37.7 102.7 50.1 40.2 72.9 84 92 A D H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.789 91.4 48.2 -54.1 -35.5 51.0 36.6 73.6 85 93 A T H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.980 114.9 44.0 -72.8 -52.9 49.2 35.3 70.7 86 94 A S H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.899 112.9 52.8 -56.7 -39.0 50.6 37.8 68.4 87 95 A S H X S+ 0 0 51 -4,-4.5 4,-1.9 1,-0.2 -1,-0.2 0.935 106.5 56.2 -59.8 -43.0 54.0 37.2 69.9 88 96 A S H X S+ 0 0 13 -4,-2.1 4,-2.1 1,-0.3 5,-0.3 0.917 103.4 51.8 -54.0 -49.2 53.6 33.6 69.3 89 97 A I H X S+ 0 0 5 -4,-2.6 4,-1.4 1,-0.2 -1,-0.3 0.891 107.0 52.3 -58.2 -40.4 53.0 34.0 65.7 90 98 A N H < S+ 0 0 63 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.869 112.5 47.7 -63.7 -32.1 56.1 36.0 65.2 91 99 A F H >< S+ 0 0 61 -4,-1.9 3,-1.8 -3,-0.3 4,-0.2 0.928 106.0 51.3 -69.9 -54.1 58.1 33.4 66.8 92 100 A L H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.3 6,-0.3 0.839 99.8 69.6 -56.2 -34.4 56.8 30.2 65.1 93 101 A T T 3< S+ 0 0 44 -4,-1.4 5,-0.3 -5,-0.3 -1,-0.3 0.848 82.9 69.4 -58.0 -30.0 57.5 31.9 61.9 94 102 A R T < S+ 0 0 115 -3,-1.8 2,-0.5 -4,-0.4 -1,-0.3 0.668 77.0 99.4 -64.2 -12.9 61.3 31.7 62.6 95 103 A V S X S- 0 0 1 -3,-2.1 3,-2.3 -4,-0.2 2,-0.5 -0.656 88.3-117.9 -75.4 121.4 61.0 28.0 62.1 96 104 A S T 3 S+ 0 0 36 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.376 105.1 31.3 -62.1 109.9 62.1 27.3 58.5 97 105 A G T 3 S+ 0 0 30 -2,-0.5 2,-0.5 1,-0.3 31,-0.3 0.350 97.0 101.1 126.4 -17.9 59.1 25.9 56.9 98 106 A I < + 0 0 9 -3,-2.3 -1,-0.3 -5,-0.3 -3,-0.0 -0.935 43.7 171.7-106.0 113.7 56.5 27.9 58.9 99 107 A G > - 0 0 36 -2,-0.5 4,-1.7 -3,-0.1 -4,-0.1 -0.278 53.0 -81.1-104.9-168.3 55.1 30.9 57.2 100 108 A P H > S+ 0 0 35 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.902 125.3 57.7 -67.4 -43.1 52.2 32.9 58.6 101 109 A S H > S+ 0 0 89 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.881 111.6 42.7 -52.2 -44.9 49.5 30.7 57.5 102 110 A A H > S+ 0 0 14 2,-0.2 4,-3.6 1,-0.2 -1,-0.3 0.877 109.0 59.0 -70.2 -41.3 51.0 27.9 59.4 103 111 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.912 107.3 45.9 -54.3 -49.4 51.8 30.0 62.4 104 112 A R H X S+ 0 0 59 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.947 112.9 49.2 -61.3 -48.0 48.3 30.9 62.9 105 113 A K H X S+ 0 0 96 -4,-1.9 4,-1.6 -5,-0.3 3,-0.4 0.960 110.3 51.5 -57.2 -51.5 47.0 27.4 62.5 106 114 A F H <>S+ 0 0 0 -4,-3.6 5,-2.6 1,-0.3 4,-0.4 0.875 112.2 46.6 -51.2 -38.8 49.6 26.1 64.9 107 115 A V H ><5S+ 0 0 5 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.3 0.858 104.6 61.8 -70.1 -35.3 48.6 28.6 67.4 108 116 A D H 3<5S+ 0 0 135 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.833 105.0 47.0 -55.3 -40.1 45.1 27.8 66.8 109 117 A E T 3<5S- 0 0 107 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.414 126.3 -99.9 -80.4 -13.2 45.7 24.4 68.0 110 118 A G T < 5S+ 0 0 39 -3,-0.9 2,-1.2 -4,-0.4 3,-0.3 0.493 79.0 134.8 105.2 -2.1 47.6 25.6 71.1 111 119 A I < + 0 0 7 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.699 13.7 140.1 -84.9 94.1 51.2 25.1 69.7 112 120 A K + 0 0 72 -2,-1.2 -1,-0.2 -3,-0.1 2,-0.2 0.722 49.5 61.9-109.3 -29.5 53.0 28.2 70.7 113 121 A T S > S- 0 0 60 -3,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.493 80.5-112.9-104.3 171.6 56.3 27.0 71.7 114 122 A L H > S+ 0 0 30 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.954 123.1 44.7 -57.8 -51.4 59.4 25.3 70.5 115 123 A E H > S+ 0 0 126 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.851 107.4 60.7 -60.4 -39.2 58.7 22.4 72.7 116 124 A D H > S+ 0 0 40 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.924 104.3 50.7 -53.8 -44.3 55.1 22.5 71.6 117 125 A L H >< S+ 0 0 0 -4,-2.7 3,-0.6 2,-0.2 -1,-0.3 0.855 108.5 50.7 -63.8 -36.2 56.3 21.9 68.3 118 126 A R H >< S+ 0 0 125 -4,-1.3 3,-2.7 1,-0.3 -2,-0.2 0.991 104.3 55.3 -62.8 -56.1 58.3 19.0 69.4 119 127 A K H 3< S+ 0 0 149 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.641 115.8 42.8 -49.0 -21.7 55.6 17.3 71.2 120 128 A N T X< + 0 0 38 -4,-0.8 3,-2.4 -3,-0.6 -1,-0.3 -0.064 64.6 142.5-124.7 40.1 53.8 17.5 68.0 121 129 A E G X S+ 0 0 97 -3,-2.7 3,-1.0 1,-0.3 -1,-0.1 0.684 70.6 65.4 -47.0 -25.7 56.3 16.6 65.4 122 130 A D G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.792 90.0 59.8 -66.9 -37.1 53.6 14.8 63.6 123 131 A K G < S+ 0 0 86 -3,-2.4 2,-0.3 -6,-0.1 -1,-0.3 0.424 97.9 83.8 -72.7 -1.3 51.6 17.9 62.8 124 132 A L S < S- 0 0 8 -3,-1.0 2,-0.2 -4,-0.3 5,-0.0 -0.739 74.5-127.1-107.1 157.7 54.7 19.1 60.9 125 133 A N > - 0 0 85 -2,-0.3 4,-1.6 -28,-0.1 5,-0.2 -0.562 36.8 -97.1 -96.6 161.4 56.0 18.5 57.4 126 134 A H H > S+ 0 0 114 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.837 125.3 51.8 -44.6 -46.0 59.5 17.3 56.4 127 135 A H H >> S+ 0 0 42 1,-0.3 4,-2.4 2,-0.2 3,-0.9 0.966 114.7 40.5 -49.8 -72.1 60.5 20.9 55.7 128 136 A Q H 3> S+ 0 0 16 -31,-0.3 4,-1.9 1,-0.3 -1,-0.3 0.584 111.2 62.2 -48.4 -23.0 59.3 22.2 59.1 129 137 A R H 3X S+ 0 0 95 -4,-1.6 4,-3.5 2,-0.2 -1,-0.3 0.933 109.0 37.7 -74.4 -49.9 60.7 19.0 60.6 130 138 A I H < S+ 0 0 8 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.928 111.4 52.3 -59.6 -53.3 62.7 22.3 63.8 133 141 A K H 3< S+ 0 0 131 -4,-3.5 3,-0.3 1,-0.3 -2,-0.2 0.900 120.9 32.8 -52.8 -48.1 65.5 20.0 64.1 134 142 A Y T 3X S+ 0 0 17 -4,-4.0 4,-1.1 1,-0.2 -1,-0.3 -0.128 74.5 131.5-105.9 40.0 67.9 22.6 63.2 135 143 A F H <> S+ 0 0 26 -3,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.924 77.4 43.3 -54.4 -49.0 66.3 25.6 64.7 136 144 A G H >> S+ 0 0 37 -3,-0.3 3,-1.8 -4,-0.2 4,-1.5 0.997 115.3 44.6 -61.9 -69.0 69.6 26.8 66.4 137 145 A D H 34 S+ 0 0 41 1,-0.3 109,-0.2 2,-0.2 -1,-0.2 0.706 110.4 59.6 -49.8 -16.6 72.1 26.2 63.6 138 146 A F H 3< S+ 0 0 36 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.889 106.8 45.0 -81.6 -33.8 69.6 27.8 61.3 139 147 A E H << S+ 0 0 94 -3,-1.8 -2,-0.2 -4,-1.4 -1,-0.2 0.820 96.6 95.4 -78.0 -24.6 69.7 30.9 63.2 140 148 A K S < S- 0 0 116 -4,-1.5 2,-0.1 104,-0.2 0, 0.0 -0.296 75.1-116.6 -67.8 150.9 73.5 31.0 63.5 141 149 A R - 0 0 134 104,-0.0 40,-0.2 1,-0.0 -1,-0.1 -0.358 21.7-119.6 -82.3 161.7 75.7 33.0 61.1 142 150 A I E -A 180 0A 1 38,-4.4 38,-3.1 -2,-0.1 5,-0.1 -0.870 21.0-136.8-111.8 100.8 78.3 31.4 58.7 143 151 A P E >> -A 179 0A 41 0, 0.0 3,-2.2 0, 0.0 4,-1.7 -0.232 15.9-130.3 -53.6 137.3 82.0 32.6 59.3 144 152 A R H 3> S+ 0 0 68 34,-1.8 4,-3.1 1,-0.3 5,-0.2 0.804 110.2 69.9 -55.5 -36.2 83.6 33.3 55.9 145 153 A E H 3> S+ 0 0 121 33,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.789 107.6 35.8 -52.3 -34.0 86.3 31.1 57.4 146 154 A E H <> S+ 0 0 25 -3,-2.2 4,-3.6 2,-0.2 -2,-0.2 0.762 109.2 61.9 -87.2 -36.4 83.8 28.2 56.9 147 155 A M H X S+ 0 0 1 -4,-1.7 4,-3.6 1,-0.2 5,-0.2 0.876 106.0 50.2 -54.6 -40.1 82.3 29.6 53.8 148 156 A L H X S+ 0 0 76 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.921 110.8 46.7 -62.7 -49.1 85.8 29.1 52.5 149 157 A Q H X S+ 0 0 62 -4,-0.8 4,-1.4 2,-0.2 -2,-0.2 0.854 116.4 45.8 -60.0 -42.4 85.9 25.5 53.8 150 158 A M H X S+ 0 0 2 -4,-3.6 4,-2.6 2,-0.2 -2,-0.2 0.885 109.4 51.7 -68.4 -50.5 82.5 24.9 52.3 151 159 A Q H X S+ 0 0 59 -4,-3.6 4,-2.3 -5,-0.2 5,-0.2 0.887 107.0 58.9 -56.4 -36.6 83.1 26.4 48.9 152 160 A D H X S+ 0 0 92 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.962 108.3 41.2 -57.9 -52.9 86.3 24.3 48.7 153 161 A I H >X S+ 0 0 34 -4,-1.4 4,-1.9 1,-0.2 3,-1.1 0.968 112.0 56.4 -60.7 -52.5 84.6 21.1 49.0 154 162 A V H 3X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.804 107.1 47.5 -49.5 -39.8 81.8 22.1 46.8 155 163 A L H 3X S+ 0 0 57 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.3 0.800 108.5 59.7 -73.5 -25.9 84.0 22.9 44.0 156 164 A N H < - 0 0 44 -4,-1.9 3,-1.4 -5,-0.2 -1,-0.3 -0.960 53.6-154.4-142.8 124.2 82.1 16.4 35.5 163 171 A S T 3 S+ 0 0 83 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.661 94.0 69.6 -61.2 -25.9 85.0 18.7 34.6 164 172 A E T 3 S+ 0 0 115 -5,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.159 78.4 111.7 -78.5 8.2 82.7 20.7 32.4 165 173 A Y < - 0 0 18 -3,-1.4 2,-0.4 -7,-0.2 24,-0.2 -0.518 50.7-157.7 -85.8 157.9 80.7 22.1 35.4 166 174 A I E +B 188 0B 52 22,-1.7 22,-2.4 -2,-0.2 2,-0.4 -0.983 13.9 178.2-139.1 116.8 80.8 25.7 36.5 167 175 A A E -B 187 0B 20 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.973 6.4-173.2-128.6 134.7 79.8 26.6 40.0 168 176 A T E -B 186 0B 29 18,-2.6 18,-2.9 -2,-0.4 2,-1.1 -0.974 20.6-143.6-127.0 135.8 79.8 29.9 41.6 169 177 A V E -B 185 0B 4 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.875 34.7-174.7-100.4 104.8 79.2 30.8 45.2 170 178 A C + 0 0 2 14,-2.0 14,-0.5 -2,-1.1 3,-0.4 0.109 31.7 60.9 -80.3-168.5 77.3 34.0 44.9 171 179 A G S >> S- 0 0 18 93,-0.6 3,-1.3 90,-0.2 4,-1.1 -0.092 107.6 -36.0 79.8-175.4 76.0 36.4 47.6 172 180 A S T 34>S+ 0 0 33 1,-0.3 5,-0.7 2,-0.2 -1,-0.2 0.729 135.8 65.5 -53.4 -20.5 77.8 38.6 50.2 173 181 A F T >45S+ 0 0 9 -3,-0.4 3,-1.4 1,-0.2 -1,-0.3 0.976 102.4 44.6 -58.9 -51.4 80.1 35.7 50.4 174 182 A R T <45S+ 0 0 53 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.713 110.4 57.2 -55.3 -38.7 81.0 36.5 46.9 175 183 A R T 3<5S- 0 0 62 -4,-1.1 2,-0.5 90,-0.1 -1,-0.3 -0.219 123.0 -99.8 -87.8 22.9 81.3 40.2 47.9 176 184 A G T < 5 + 0 0 34 -3,-1.4 -3,-0.1 1,-0.2 -2,-0.1 -0.153 60.7 169.5 86.7 -38.3 83.9 39.6 50.7 177 185 A A < - 0 0 28 -5,-0.7 -1,-0.2 -2,-0.5 3,-0.1 0.394 41.1-129.9 -12.1 127.8 81.5 39.7 53.6 178 186 A E S S+ 0 0 145 1,-0.2 -34,-1.8 -35,-0.1 -33,-0.3 0.661 89.8 13.1 -60.8 -20.7 83.0 38.6 57.0 179 187 A S E -A 143 0A 43 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.984 65.3-155.4-160.5 146.7 80.0 36.3 57.4 180 188 A S E -A 142 0A 3 -38,-3.1 -38,-4.4 -2,-0.3 3,-0.1 -0.792 18.2-140.6-123.7 165.3 77.1 34.8 55.6 181 189 A G S S- 0 0 33 -2,-0.3 65,-0.3 1,-0.2 2,-0.3 0.728 81.6 -19.0 -91.2 -31.6 73.7 33.4 56.4 182 190 A D S S- 0 0 74 -40,-0.1 2,-0.7 63,-0.1 -1,-0.2 -0.956 76.1 -86.2-162.6 178.2 73.7 30.5 54.1 183 191 A M E - c 0 247B 1 63,-2.2 65,-1.9 -2,-0.3 2,-0.8 -0.855 28.3-160.1-116.4 124.3 75.4 29.3 51.0 184 192 A D E - c 0 248B 29 -2,-0.7 -14,-2.0 -14,-0.5 2,-0.8 -0.719 7.7-173.8 -94.0 99.9 74.3 30.2 47.4 185 193 A V E -Bc 169 249B 1 63,-2.8 65,-1.6 -2,-0.8 2,-0.5 -0.749 5.7-165.9 -98.9 110.0 75.5 28.0 44.7 186 194 A L E -Bc 168 250B 5 -18,-2.9 -18,-2.6 -2,-0.8 2,-0.4 -0.784 19.6-165.4 -89.6 126.9 74.7 29.1 41.1 187 195 A L E +Bc 167 251B 1 63,-2.4 65,-1.4 -2,-0.5 2,-0.3 -0.914 15.6 160.6-123.2 143.2 75.3 26.2 38.7 188 196 A T E -Bc 166 252B 0 -22,-2.4 -22,-1.7 -2,-0.4 5,-0.1 -0.955 16.0-167.4-150.2 171.0 75.6 25.7 35.1 189 197 A H E > - c 0 253B 12 63,-0.8 3,-1.8 3,-0.5 65,-1.0 -0.951 30.2-126.7-158.2 139.4 76.8 23.5 32.3 190 198 A P T 3 S+ 0 0 59 0, 0.0 65,-0.1 0, 0.0 -1,-0.1 0.885 110.0 65.2 -50.8 -46.2 77.4 24.0 28.5 191 199 A S T 3 S+ 0 0 59 -27,-0.1 2,-0.3 1,-0.1 11,-0.1 0.371 102.3 63.2 -61.1 5.8 75.2 21.0 27.8 192 200 A F < + 0 0 16 -3,-1.8 62,-4.6 60,-0.1 -3,-0.5 -0.961 63.3 126.4-145.2 121.7 72.4 23.2 29.3 193 201 A T - 0 0 28 60,-0.4 5,-0.3 -2,-0.3 3,-0.2 -0.978 68.9 -48.7-165.8 161.7 71.0 26.5 28.0 194 202 A S S S+ 0 0 68 -2,-0.3 4,-0.0 1,-0.2 62,-0.0 0.375 129.8 10.9 5.3 -66.5 67.9 28.4 27.0 195 203 A E S S+ 0 0 149 2,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.882 90.0 112.0 -93.1 -54.2 66.4 25.7 24.6 196 204 A S S S- 0 0 41 1,-0.2 2,-3.3 -3,-0.2 -3,-0.3 0.003 84.0-114.1 -33.8 87.1 68.5 22.5 25.1 197 205 A T - 0 0 132 -2,-0.1 -1,-0.2 -5,-0.1 -3,-0.1 0.094 52.0 -95.2 -27.3 49.3 65.6 20.5 26.7 198 206 A K - 0 0 100 -2,-3.3 -5,-0.0 -5,-0.3 -3,-0.0 0.051 19.2-139.8 64.2-175.0 67.1 20.2 30.1 199 207 A Q >> - 0 0 74 25,-0.2 3,-3.6 -7,-0.0 4,-0.6 -0.221 18.1-175.9 171.9 66.0 69.1 17.5 31.7 200 208 A P H >> S+ 0 0 44 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.765 83.4 68.2 -45.9 -31.8 67.6 17.4 35.2 201 209 A K H 3> S+ 0 0 133 1,-0.3 4,-3.8 2,-0.2 5,-0.3 0.850 83.2 72.8 -59.1 -35.5 70.2 14.9 35.9 202 210 A L H <> S+ 0 0 1 -3,-3.6 4,-0.7 1,-0.3 -1,-0.3 0.883 107.6 34.7 -44.5 -44.3 72.7 17.7 35.6 203 211 A L H XX S+ 0 0 0 -3,-0.8 4,-1.6 -4,-0.6 3,-0.6 0.958 118.3 52.4 -68.9 -52.6 71.3 18.9 38.9 204 212 A H H 3X S+ 0 0 50 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.738 99.4 62.2 -50.3 -46.2 70.8 15.4 40.3 205 213 A Q H 3X S+ 0 0 69 -4,-3.8 4,-0.9 1,-0.2 -1,-0.2 0.832 108.6 42.5 -53.9 -48.4 74.3 14.2 39.6 206 214 A V H S+ 0 0 2 -4,-2.4 5,-2.8 1,-0.3 6,-1.2 0.731 114.0 47.2 -42.2 -40.5 77.7 16.1 47.8 211 219 A Q H ><5S+ 0 0 82 -4,-1.8 3,-2.0 4,-0.2 -1,-0.3 0.882 103.2 62.9 -69.6 -48.2 75.6 13.5 49.7 212 220 A K H 3<5S+ 0 0 151 -4,-2.2 -2,-0.2 -3,-0.4 -1,-0.2 0.839 110.9 38.3 -51.7 -34.6 77.8 10.7 48.8 213 221 A V T 3<5S- 0 0 47 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.455 118.5-109.6 -99.7 1.2 80.5 12.3 50.7 214 222 A H T < 5S+ 0 0 143 -3,-2.0 -3,-0.2 -5,-0.2 18,-0.2 0.507 84.7 118.2 86.8 3.4 78.4 13.6 53.5 215 223 A F S > -c 189 0B 19 0, 0.0 3,-3.2 0, 0.0 4,-0.6 -0.504 35.0-128.0 -64.1 124.2 71.4 27.5 31.2 254 262 A K T 34 S+ 0 0 47 -62,-4.6 3,-0.3 -65,-1.0 4,-0.3 0.716 108.5 68.7 -47.8 -21.6 75.1 28.3 30.5 255 263 A D T 34 S+ 0 0 74 -63,-0.3 -1,-0.3 1,-0.2 50,-0.2 0.357 105.8 35.6 -81.9 6.4 73.6 31.0 28.3 256 264 A Q T <> S+ 0 0 39 -3,-3.2 4,-2.1 2,-0.1 5,-0.2 0.440 85.4 105.3-136.3 0.8 72.3 32.9 31.3 257 265 A Y H >X S+ 0 0 3 -4,-0.6 4,-2.7 -3,-0.3 3,-1.5 0.917 75.8 49.0 -43.6 -89.1 74.9 32.4 34.0 258 266 A Y H 3> S+ 0 0 41 1,-0.3 4,-4.3 -4,-0.3 -1,-0.2 0.618 113.4 48.0 -25.8 -44.7 76.9 35.7 34.3 259 267 A C H 3> S+ 0 0 6 2,-0.2 4,-3.3 29,-0.2 -1,-0.3 0.946 116.4 42.6 -67.8 -49.0 73.7 37.8 34.5 260 268 A G H - 0 0 8 59,-0.3 4,-2.6 -3,-0.1 5,-0.2 0.665 37.0-127.7 -76.3 170.8 74.4 44.2 46.3 268 276 A D H > S+ 0 0 135 1,-0.2 4,-1.7 -2,-0.2 -2,-0.1 0.807 111.9 39.6 -47.7 -36.9 70.8 44.9 46.1 269 277 A I H > S+ 0 0 74 57,-0.3 4,-3.5 2,-0.2 -1,-0.2 0.846 109.4 56.5 -82.4 -40.7 71.8 48.6 45.5 270 278 A F H > S+ 0 0 0 56,-0.4 4,-3.1 55,-0.4 5,-0.2 0.863 112.9 46.4 -56.4 -36.0 74.8 47.9 43.2 271 279 A N H X S+ 0 0 7 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.978 111.5 47.0 -65.0 -63.6 72.4 46.1 41.1 272 280 A K H X S+ 0 0 145 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.928 116.9 46.8 -48.1 -53.2 69.6 48.6 41.1 273 281 A N H X S+ 0 0 91 -4,-3.5 4,-2.0 54,-0.2 -1,-0.2 0.946 113.3 44.4 -58.8 -54.3 72.2 51.2 40.3 274 282 A M H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.931 116.2 51.3 -54.4 -44.0 74.1 49.4 37.5 275 283 A R H X S+ 0 0 67 -4,-3.6 4,-0.8 1,-0.2 -1,-0.2 0.892 104.7 53.9 -58.1 -45.9 70.6 48.5 36.2 276 284 A A H >X S+ 0 0 54 -4,-2.9 3,-0.7 -5,-0.3 4,-0.6 0.916 111.3 48.4 -55.4 -43.3 69.5 52.0 36.3 277 285 A H H >X S+ 0 0 42 -4,-2.0 4,-3.2 1,-0.2 3,-0.7 0.816 98.8 61.8 -66.1 -41.5 72.5 52.9 34.2 278 286 A A H 3<>S+ 0 0 0 -4,-2.4 5,-3.3 1,-0.2 -1,-0.2 0.772 100.0 62.4 -59.6 -19.6 72.2 50.2 31.6 279 287 A L H X<5S+ 0 0 81 -4,-0.8 3,-0.6 -3,-0.7 -1,-0.2 0.799 108.6 38.8 -68.4 -40.7 68.8 52.1 30.9 280 288 A E H <<5S+ 0 0 140 -3,-0.7 2,-0.2 -4,-0.6 -2,-0.2 0.953 109.2 60.1 -75.9 -54.6 70.6 55.2 29.9 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