==== 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 1ZQA . 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) . 18086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.8 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 . 30 9.2 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 . 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 . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 0 0 2 0 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 . 1 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 1 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 0 220 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -20.9 67.1 58.1 57.0 2 10 A T + 0 0 123 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.247 360.0 69.3-163.6 -19.2 67.0 59.4 60.6 3 11 A L S S+ 0 0 63 1,-0.2 3,-0.2 36,-0.1 42,-0.2 0.917 115.2 29.0 -79.7 -35.5 64.8 62.5 60.5 4 12 A N S > S+ 0 0 10 35,-0.2 4,-2.2 1,-0.2 3,-0.4 0.402 93.0 120.4 -99.0 3.3 61.7 60.5 59.9 5 13 A G H > + 0 0 14 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.682 69.0 42.1 -26.4 -69.2 63.1 57.4 61.7 6 14 A G H > S+ 0 0 37 -4,-0.3 4,-3.3 1,-0.2 5,-0.3 0.887 114.8 54.3 -58.0 -44.3 60.7 56.6 64.6 7 15 A I H > S+ 0 0 6 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.919 112.1 42.8 -58.4 -45.1 57.8 57.3 62.3 8 16 A T H X S+ 0 0 20 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.807 116.7 47.7 -72.1 -31.1 59.1 54.8 59.8 9 17 A D H X S+ 0 0 102 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.945 111.3 48.5 -74.2 -38.9 60.0 52.3 62.4 10 18 A M H X S+ 0 0 7 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.880 112.8 50.8 -57.2 -46.9 56.6 52.5 64.3 11 19 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.3 -1,-0.2 0.809 108.8 47.8 -63.2 -46.9 54.8 52.2 61.1 12 20 A T H X S+ 0 0 53 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.889 109.1 55.9 -69.3 -33.7 56.7 49.1 59.9 13 21 A E H X S+ 0 0 94 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.962 111.2 45.4 -55.1 -52.3 56.1 47.6 63.4 14 22 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.903 114.2 47.0 -56.6 -52.9 52.5 48.2 62.7 15 23 A A H X S+ 0 0 3 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.963 108.3 53.8 -56.7 -57.4 52.5 46.8 59.1 16 24 A N H X S+ 0 0 84 -4,-2.7 4,-1.9 1,-0.2 5,-0.4 0.811 107.3 55.5 -46.8 -35.4 54.4 43.7 60.0 17 25 A F H X>S+ 0 0 34 -4,-1.4 5,-1.3 -5,-0.3 4,-0.9 0.989 105.8 45.4 -68.2 -54.6 51.8 43.1 62.5 18 26 A E H <5S+ 0 0 6 -4,-1.8 6,-0.9 1,-0.2 4,-0.2 0.929 113.1 52.3 -52.3 -48.8 48.7 43.2 60.4 19 27 A K H <5S+ 0 0 81 -4,-2.3 -1,-0.2 5,-0.2 -2,-0.2 0.932 124.0 24.7 -54.6 -49.7 50.3 41.0 57.8 20 28 A N H <5S+ 0 0 17 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.971 130.6 30.6 -83.3 -75.5 51.4 38.3 60.4 21 29 A V T <5S+ 0 0 30 -4,-0.9 -3,-0.2 -5,-0.4 2,-0.1 0.889 131.4 32.0 -53.9 -40.7 49.2 38.3 63.4 22 30 A S S + 0 0 24 -6,-0.9 4,-3.4 1,-0.2 5,-0.3 -0.396 17.2 166.4 -73.6 62.3 45.1 42.4 56.9 25 33 A I H > S+ 0 0 95 -2,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.814 78.2 50.2 -45.0 -37.9 47.1 42.3 53.6 26 34 A H H > S+ 0 0 145 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.989 111.3 41.6 -68.8 -64.4 45.6 45.7 53.0 27 35 A K H > S+ 0 0 110 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.872 117.6 53.6 -51.7 -36.8 46.3 47.5 56.2 28 36 A Y H X S+ 0 0 30 -4,-3.4 4,-1.3 1,-0.3 -1,-0.3 0.973 108.2 44.7 -62.5 -51.6 49.5 45.9 55.9 29 37 A N H X S+ 0 0 82 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.3 0.765 112.6 58.7 -62.7 -24.5 50.1 47.1 52.5 30 38 A A H X S+ 0 0 32 -4,-2.3 4,-2.1 2,-0.2 3,-0.4 0.976 101.3 48.2 -68.2 -60.3 48.9 50.5 53.8 31 39 A Y H X S+ 0 0 13 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.803 110.5 59.9 -51.6 -31.0 51.4 51.0 56.5 32 40 A R H X S+ 0 0 138 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.909 103.4 41.8 -72.2 -44.2 54.0 50.2 54.0 33 41 A K H X S+ 0 0 75 -4,-1.4 4,-3.3 -3,-0.4 -1,-0.2 0.910 117.3 52.7 -70.7 -31.8 53.5 52.7 51.3 34 42 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.5 0.991 109.2 45.0 -59.8 -62.1 53.1 55.2 54.1 35 43 A A H X S+ 0 0 7 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.833 114.6 54.8 -47.8 -35.4 56.4 54.3 55.9 36 44 A S H X S+ 0 0 52 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.983 112.7 37.6 -61.6 -60.6 57.8 54.4 52.4 37 45 A V H >X S+ 0 0 34 -4,-3.3 4,-1.4 1,-0.2 3,-0.8 0.812 113.5 54.3 -62.6 -39.7 56.6 58.0 51.5 38 46 A I H 3< S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.807 105.3 61.1 -64.9 -26.0 57.2 59.5 55.0 39 47 A A H 3< S+ 0 0 47 -4,-1.0 -1,-0.2 -5,-0.5 -2,-0.2 0.750 103.4 44.9 -67.4 -31.8 60.7 58.1 54.5 40 48 A K H << S+ 0 0 173 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.808 86.7 113.0 -81.8 -36.3 61.5 60.1 51.4 41 49 A Y < - 0 0 51 -4,-1.4 4,-0.1 1,-0.2 -37,-0.1 -0.204 61.7-146.0 -51.6 122.3 60.2 63.3 52.9 42 50 A P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.023 68.4 62.5 -74.1 11.0 62.9 65.8 53.5 43 51 A H S S- 0 0 106 -39,-0.0 2,-0.6 0, 0.0 -40,-0.0 -0.900 89.5 -91.2-139.5 174.3 61.6 67.4 56.5 44 52 A K - 0 0 110 -2,-0.3 2,-0.2 -40,-0.0 -40,-0.1 -0.727 41.9-128.8 -83.7 120.0 60.8 66.6 60.1 45 53 A I - 0 0 5 -2,-0.6 3,-0.1 1,-0.2 -38,-0.1 -0.466 28.7-178.8 -63.8 128.0 57.2 65.6 60.4 46 54 A K + 0 0 151 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.573 60.1 0.8-107.6 -6.1 55.9 67.8 63.1 47 55 A S S > S- 0 0 34 1,-0.2 4,-2.3 -3,-0.1 -1,-0.3 -0.988 70.0-103.3-169.8 164.9 52.4 66.6 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-4.0 1,-0.2 3,-0.5 0.985 117.8 57.7 -54.2 -60.0 49.9 64.2 61.7 49 57 A A H 3> S+ 0 0 67 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.775 107.1 45.9 -37.1 -47.0 48.4 67.0 59.7 50 58 A E H >4 S+ 0 0 40 2,-0.2 3,-0.8 1,-0.2 -1,-0.3 0.901 117.2 44.9 -68.6 -43.2 51.6 67.7 58.0 51 59 A A H X< S+ 0 0 0 -4,-2.3 3,-2.2 -3,-0.5 -2,-0.2 0.930 103.4 66.9 -59.5 -52.1 52.2 64.1 57.4 52 60 A K H 3< S+ 0 0 91 -4,-4.0 -1,-0.2 1,-0.3 -2,-0.2 0.470 84.2 70.4 -41.9 -28.9 48.7 63.7 56.3 53 61 A K T << S+ 0 0 169 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.1 0.470 85.3 96.6 -74.0 -8.3 49.2 65.8 53.2 54 62 A L S < S- 0 0 35 -3,-2.2 2,-0.5 1,-0.1 3,-0.4 -0.401 89.6 -96.0 -82.0 165.7 51.2 63.0 51.9 55 63 A P S S+ 0 0 95 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.666 111.5 16.4 -81.9 126.1 50.1 60.3 49.6 56 64 A G S S+ 0 0 31 -2,-0.5 2,-1.3 1,-0.2 5,-0.2 0.112 96.9 119.3 96.1 -19.3 49.0 57.2 51.4 57 65 A V + 0 0 8 -3,-0.4 -1,-0.2 -6,-0.2 2,-0.1 -0.602 40.8 167.2 -85.0 102.3 48.8 59.2 54.5 58 66 A G > - 0 0 28 -2,-1.3 4,-2.3 -3,-0.1 5,-0.2 -0.303 52.2 -88.4-100.1-170.8 45.4 59.0 55.7 59 67 A T H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.863 119.9 60.5 -67.7 -37.9 43.6 59.9 58.8 60 68 A K H > S+ 0 0 143 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.952 113.0 35.7 -55.1 -52.4 44.2 56.5 60.4 61 69 A I H >> S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 3,-0.8 0.931 112.0 58.2 -66.4 -50.7 48.0 56.8 60.2 62 70 A A H 3X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.855 103.6 55.5 -49.5 -37.7 48.3 60.6 60.9 63 71 A E H 3X S+ 0 0 139 -4,-1.8 4,-1.9 2,-0.2 -1,-0.3 0.921 106.7 50.1 -62.2 -41.3 46.5 60.0 64.1 64 72 A K H X S+ 0 0 71 -4,-2.5 4,-4.6 1,-0.2 3,-0.6 0.987 109.5 48.5 -57.0 -57.7 50.4 62.5 66.5 67 75 A E H 3X S+ 0 0 82 -4,-1.9 4,-2.5 1,-0.3 6,-0.5 0.825 114.8 46.5 -48.0 -39.5 50.4 60.0 69.4 68 76 A F H 3< S+ 0 0 55 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.885 117.0 41.5 -74.2 -35.3 53.9 59.0 68.7 69 77 A L H << S+ 0 0 57 -4,-2.6 -2,-0.2 -3,-0.6 -3,-0.2 0.954 116.6 50.5 -72.1 -50.0 55.1 62.5 68.3 70 78 A A H < S+ 0 0 84 -4,-4.6 2,-0.3 -5,-0.3 -2,-0.2 0.932 127.5 14.3 -50.9 -59.8 53.1 63.6 71.3 71 79 A T S < S- 0 0 68 -4,-2.5 -1,-0.0 2,-0.3 0, 0.0 -0.802 86.9-111.5-113.6 157.5 54.3 60.8 73.6 72 80 A G S S+ 0 0 71 -2,-0.3 2,-0.3 2,-0.0 -4,-0.1 0.251 94.4 43.0 -79.1 25.4 57.3 58.7 72.9 73 81 A K - 0 0 102 -6,-0.5 -2,-0.3 4,-0.0 2,-0.3 -0.752 67.9-132.9-145.2-166.0 55.1 55.7 72.5 74 82 A L > - 0 0 3 -2,-0.3 4,-3.3 1,-0.1 5,-0.1 -0.924 14.0-143.7-155.5 123.8 52.0 54.3 71.0 75 83 A R H > S+ 0 0 163 -2,-0.3 4,-4.0 2,-0.2 5,-0.1 0.972 100.2 54.2 -57.2 -57.3 49.5 52.0 73.0 76 84 A K H > S+ 0 0 69 1,-0.3 4,-2.5 2,-0.3 5,-0.3 0.856 112.9 44.5 -42.1 -47.1 48.6 49.8 70.0 77 85 A L H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.979 115.1 48.6 -65.9 -49.3 52.2 49.2 69.6 78 86 A E H X S+ 0 0 72 -4,-3.3 4,-1.4 1,-0.2 -2,-0.3 0.898 112.8 48.2 -54.7 -41.9 52.5 48.7 73.4 79 87 A K H >X S+ 0 0 122 -4,-4.0 4,-2.4 2,-0.2 3,-0.7 0.979 113.0 45.7 -59.8 -60.6 49.5 46.4 73.4 80 88 A I H 3< S+ 0 0 20 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.872 109.5 56.5 -50.0 -44.9 50.8 44.1 70.4 81 89 A R H 3< S+ 0 0 183 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.909 112.4 41.6 -58.2 -40.1 54.3 44.0 71.9 82 90 A Q H << S+ 0 0 133 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.973 89.4 113.7 -69.1 -53.2 52.7 42.6 75.1 83 91 A D X - 0 0 64 -4,-2.4 4,-2.7 1,-0.1 5,-0.3 0.142 54.8-154.7 -29.1 101.5 50.2 40.2 73.3 84 92 A D H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.808 90.0 50.0 -54.3 -33.2 51.0 36.6 73.9 85 93 A T H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.975 112.9 43.5 -71.3 -50.7 49.4 35.4 70.8 86 94 A S H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.865 112.9 54.5 -59.8 -35.1 51.0 37.7 68.5 87 95 A S H X S+ 0 0 51 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.953 107.2 52.3 -62.2 -45.1 54.2 37.0 70.3 88 96 A S H X S+ 0 0 14 -4,-2.2 4,-1.8 -5,-0.3 5,-0.2 0.851 107.4 51.2 -61.3 -35.0 53.7 33.5 69.7 89 97 A I H X S+ 0 0 4 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.950 104.7 54.9 -70.8 -42.4 53.2 34.0 66.2 90 98 A N H < S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.788 111.8 46.0 -55.6 -33.8 56.4 36.0 65.7 91 99 A F H >< S+ 0 0 64 -4,-1.6 3,-3.0 2,-0.2 4,-0.4 0.929 105.0 54.8 -74.3 -56.4 58.4 33.3 67.2 92 100 A L H >< S+ 0 0 0 -4,-1.8 3,-2.6 1,-0.3 6,-0.2 0.873 99.1 68.9 -47.7 -39.9 57.1 30.1 65.5 93 101 A T T 3< S+ 0 0 43 -4,-1.5 -1,-0.3 1,-0.3 5,-0.3 0.748 84.2 67.9 -54.2 -24.7 57.9 32.0 62.3 94 102 A R T < S+ 0 0 118 -3,-3.0 2,-0.4 -4,-0.1 -1,-0.3 0.701 79.7 95.7 -72.3 -16.2 61.6 31.6 63.1 95 103 A V S X S- 0 0 1 -3,-2.6 3,-1.8 -4,-0.4 2,-0.5 -0.595 91.0-112.1 -75.1 130.2 61.2 28.0 62.5 96 104 A S T 3 S+ 0 0 35 -2,-0.4 35,-0.4 1,-0.3 36,-0.2 -0.481 103.0 24.6 -66.2 115.8 62.2 27.2 58.9 97 105 A G T 3 S+ 0 0 34 -2,-0.5 2,-0.6 1,-0.4 -1,-0.3 0.488 95.1 109.7 109.1 2.2 59.1 26.2 57.0 98 106 A I < + 0 0 10 -3,-1.8 -1,-0.4 -5,-0.3 -3,-0.0 -0.984 42.1 173.8-115.3 114.5 56.8 27.9 59.2 99 107 A G > - 0 0 34 -2,-0.6 4,-1.5 -3,-0.1 -4,-0.1 -0.233 51.5 -86.2-102.1-167.0 55.2 30.9 57.6 100 108 A P H > S+ 0 0 37 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.870 124.2 60.8 -70.2 -43.4 52.5 32.9 59.2 101 109 A S H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.889 111.0 40.3 -53.6 -43.3 49.7 30.8 57.9 102 110 A A H > S+ 0 0 14 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.871 110.7 59.2 -73.8 -36.9 51.1 27.8 59.8 103 111 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.947 107.3 46.3 -55.0 -49.7 52.0 29.9 62.8 104 112 A R H X S+ 0 0 59 -4,-3.3 4,-2.8 2,-0.2 -1,-0.2 0.960 112.6 50.0 -57.3 -54.7 48.4 31.0 63.2 105 113 A K H X S+ 0 0 96 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.931 111.8 47.4 -47.9 -57.4 47.2 27.5 62.8 106 114 A F H <>S+ 0 0 1 -4,-3.2 5,-3.3 1,-0.3 4,-0.4 0.881 111.0 51.7 -51.7 -43.6 49.6 26.0 65.3 107 115 A V H ><5S+ 0 0 5 -4,-2.2 3,-1.1 -5,-0.3 -1,-0.3 0.926 105.4 55.6 -60.0 -47.0 48.8 28.7 67.8 108 116 A D H 3<5S+ 0 0 137 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.922 106.9 48.1 -54.6 -45.9 45.3 27.9 67.4 109 117 A E T 3<5S- 0 0 105 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.604 126.2-110.4 -69.7 -7.8 46.0 24.4 68.3 110 118 A G T < 5S+ 0 0 32 -3,-1.1 2,-1.3 -4,-0.4 -3,-0.3 0.769 71.0 142.2 89.0 19.8 47.9 25.9 71.1 111 119 A I < + 0 0 7 -5,-3.3 -1,-0.2 1,-0.2 -2,-0.1 -0.736 13.9 152.3 -92.3 88.1 51.5 25.1 70.1 112 120 A K + 0 0 77 -2,-1.3 2,-0.2 -3,-0.1 -1,-0.2 0.735 48.0 48.6 -97.2 -13.9 53.1 28.2 71.2 113 121 A T S > S- 0 0 60 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.729 80.7-107.1-126.9 176.0 56.7 27.1 71.9 114 122 A L H > S+ 0 0 29 1,-0.3 4,-1.7 -2,-0.2 -1,-0.1 0.954 122.2 50.1 -55.8 -50.9 59.7 25.3 70.8 115 123 A E H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.847 107.5 56.6 -55.9 -37.3 58.9 22.6 73.3 116 124 A D H > S+ 0 0 43 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.963 103.9 50.6 -60.3 -55.0 55.4 22.5 72.0 117 125 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.822 106.6 56.1 -54.6 -35.5 56.5 21.8 68.6 118 126 A R H >< S+ 0 0 119 -4,-1.7 3,-3.4 1,-0.2 4,-0.2 0.992 105.3 49.6 -58.3 -62.0 58.7 18.9 69.7 119 127 A K H 3< S+ 0 0 161 -4,-1.9 3,-0.2 1,-0.3 -1,-0.2 0.743 118.2 44.8 -44.2 -28.8 55.9 17.1 71.5 120 128 A N T >< + 0 0 44 -4,-1.3 3,-3.1 -5,-0.2 4,-0.4 0.160 65.5 136.5-109.5 23.4 54.0 17.5 68.3 121 129 A E G X + 0 0 97 -3,-3.4 3,-1.4 1,-0.3 -1,-0.2 0.716 68.2 70.4 -38.3 -30.3 56.5 16.7 65.6 122 130 A D G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.808 90.6 56.6 -60.4 -33.7 53.8 14.8 63.9 123 131 A K G < S+ 0 0 84 -3,-3.1 2,-0.4 -6,-0.2 -1,-0.3 0.529 97.4 84.8 -78.8 -4.8 51.9 17.9 63.0 124 132 A L S < S- 0 0 6 -3,-1.4 2,-0.0 -4,-0.4 5,-0.0 -0.777 73.4-133.4-102.5 143.5 55.0 19.1 61.2 125 133 A N > - 0 0 82 -2,-0.4 4,-2.7 -28,-0.1 5,-0.2 -0.260 39.2 -91.3 -82.0 175.3 56.1 18.4 57.6 126 134 A H H > S+ 0 0 113 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.932 126.8 49.4 -50.7 -55.6 59.8 17.4 56.7 127 135 A H H > S+ 0 0 43 1,-0.3 4,-2.7 93,-0.2 3,-0.5 0.968 115.2 45.6 -47.7 -64.8 60.9 21.0 56.0 128 136 A Q H > S+ 0 0 14 -31,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.805 111.0 53.4 -49.4 -36.4 59.4 22.0 59.4 129 137 A R H X S+ 0 0 95 -4,-2.7 4,-3.3 2,-0.2 -1,-0.2 0.946 111.5 45.2 -66.0 -44.8 61.0 19.0 61.1 130 138 A I H X S+ 0 0 4 -4,-3.0 4,-3.3 -3,-0.5 -2,-0.2 0.923 110.0 52.6 -62.6 -46.8 64.3 19.8 59.9 131 139 A G H < S+ 0 0 1 -4,-2.7 -1,-0.2 -35,-0.4 -2,-0.2 0.879 113.7 46.1 -56.7 -36.8 64.0 23.4 60.7 132 140 A L H >< S+ 0 0 11 -4,-1.7 3,-1.5 -5,-0.3 4,-0.3 0.935 107.1 56.3 -71.4 -43.2 63.1 22.3 64.1 133 141 A K H 3< S+ 0 0 131 -4,-3.3 3,-0.3 1,-0.3 -2,-0.2 0.931 120.1 31.4 -54.6 -47.0 65.8 19.9 64.3 134 142 A Y T 3X S+ 0 0 19 -4,-3.3 4,-3.3 1,-0.2 5,-0.4 -0.006 73.9 131.8-103.9 30.3 68.2 22.7 63.6 135 143 A F H <> S+ 0 0 25 -3,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.911 80.1 42.0 -45.5 -51.2 66.6 25.7 65.1 136 144 A G H >> S+ 0 0 41 -4,-0.3 3,-1.6 -3,-0.3 4,-1.2 0.986 116.9 45.0 -60.5 -68.5 69.9 26.8 66.9 137 145 A D H 34 S+ 0 0 34 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.789 111.1 55.2 -43.9 -41.8 72.3 26.1 64.0 138 146 A F H 3< S+ 0 0 42 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.852 106.7 49.4 -66.3 -31.6 70.1 27.7 61.5 139 147 A E H << S+ 0 0 97 -3,-1.6 -1,-0.2 -4,-1.5 -2,-0.2 0.821 93.7 93.9 -75.8 -26.7 69.9 30.9 63.4 140 148 A K S < S- 0 0 111 -4,-1.2 2,-0.0 -3,-0.2 -4,-0.0 -0.403 78.8-113.7 -66.9 139.2 73.8 31.1 63.8 141 149 A R - 0 0 139 -2,-0.1 40,-0.2 1,-0.1 -1,-0.1 -0.225 22.3-120.7 -72.5 159.3 75.9 33.1 61.4 142 150 A I E -A 180 0A 1 38,-4.7 38,-2.9 40,-0.0 2,-0.3 -0.900 23.1-139.1-105.0 112.2 78.5 31.4 59.0 143 151 A P E >> -A 179 0A 43 0, 0.0 3,-3.6 0, 0.0 4,-1.4 -0.547 15.0-127.1 -73.9 134.0 82.0 32.7 59.5 144 152 A R H 3> S+ 0 0 72 34,-2.5 4,-3.7 1,-0.3 5,-0.3 0.775 110.0 67.2 -42.6 -41.6 83.8 33.3 56.3 145 153 A E H 34 S+ 0 0 120 33,-0.3 -1,-0.3 1,-0.3 4,-0.3 0.751 111.0 37.5 -52.5 -29.0 86.7 31.2 57.5 146 154 A E H <> S+ 0 0 27 -3,-3.6 4,-2.5 2,-0.2 -2,-0.3 0.661 107.7 61.2 -91.8 -33.2 84.0 28.4 57.2 147 155 A M H X S+ 0 0 2 -4,-1.4 4,-2.6 1,-0.2 5,-0.3 0.943 104.9 51.3 -59.8 -44.7 82.6 29.8 54.2 148 156 A L H X S+ 0 0 73 -4,-3.7 4,-1.3 1,-0.2 -1,-0.2 0.771 109.1 50.5 -60.7 -34.6 86.1 29.2 52.7 149 157 A Q H > S+ 0 0 61 -4,-0.3 4,-1.9 -5,-0.3 -1,-0.2 0.884 113.8 43.9 -73.8 -34.5 86.1 25.6 53.9 150 158 A M H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.887 111.9 51.7 -74.3 -40.9 82.7 24.9 52.4 151 159 A Q H X S+ 0 0 56 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.917 108.8 54.0 -62.4 -40.3 83.4 26.5 49.1 152 160 A D H X S+ 0 0 86 -4,-1.3 4,-1.5 -5,-0.3 -2,-0.2 0.957 110.1 44.5 -62.5 -45.7 86.5 24.5 49.0 153 161 A I H X S+ 0 0 36 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.957 112.1 53.2 -63.6 -45.0 84.7 21.3 49.4 154 162 A V H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.912 106.8 48.3 -55.7 -48.9 82.0 22.1 47.0 155 163 A L H X S+ 0 0 55 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.845 108.4 59.7 -63.5 -32.1 84.2 23.0 44.1 156 164 A N H X S+ 0 0 79 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.949 109.0 37.3 -64.7 -50.0 86.1 19.9 44.6 157 165 A E H X S+ 0 0 18 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.961 112.6 58.8 -66.8 -43.2 83.3 17.4 44.2 158 166 A V H X S+ 0 0 7 -4,-2.0 4,-1.9 1,-0.3 7,-0.3 0.841 111.2 43.1 -44.1 -46.2 81.7 19.4 41.5 159 167 A K H < S+ 0 0 135 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.857 110.2 54.9 -70.1 -42.1 84.9 19.1 39.6 160 168 A K H < S+ 0 0 130 -4,-2.3 -2,-0.2 1,-0.2 3,-0.2 0.953 109.5 48.4 -58.9 -48.8 85.4 15.4 40.4 161 169 A V H < S- 0 0 52 -4,-3.0 2,-0.4 1,-0.3 -2,-0.2 0.967 136.1 -10.9 -54.5 -59.9 81.9 14.6 39.0 162 170 A D >< - 0 0 47 -4,-1.9 3,-0.9 -5,-0.2 -1,-0.3 -0.976 52.0-151.3-149.7 131.6 82.3 16.5 35.8 163 171 A S T 3 S+ 0 0 77 -2,-0.4 -4,-0.1 1,-0.2 -3,-0.1 0.401 93.0 74.5 -78.6 -5.0 85.1 18.9 34.8 164 172 A E T 3 S+ 0 0 112 -6,-0.1 -1,-0.2 -5,-0.1 -5,-0.1 0.604 75.4 101.5 -84.6 -16.3 82.6 20.7 32.6 165 173 A Y < - 0 0 18 -3,-0.9 2,-0.4 -7,-0.3 24,-0.2 -0.261 53.8-159.3 -68.8 156.6 80.7 22.3 35.5 166 174 A I E +B 188 0B 59 22,-1.3 22,-1.2 2,-0.0 2,-0.3 -0.993 15.3 179.4-138.1 122.3 81.1 25.9 36.6 167 175 A A E -B 187 0B 23 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.934 6.9-174.9-128.5 152.7 80.1 26.8 40.1 168 176 A T E -B 186 0B 29 18,-1.2 18,-2.3 -2,-0.3 2,-1.0 -0.990 22.8-136.1-147.9 137.3 80.2 30.0 41.9 169 177 A V E -B 185 0B 5 -2,-0.3 16,-0.2 16,-0.2 5,-0.0 -0.840 34.4-172.2 -98.9 109.1 79.4 30.9 45.4 170 178 A C > + 0 0 3 14,-2.4 3,-0.5 -2,-1.0 14,-0.5 0.074 32.4 63.4 -83.3-166.7 77.4 34.0 45.3 171 179 A G G >> S- 0 0 18 93,-0.6 3,-1.5 1,-0.2 4,-0.9 -0.230 108.3 -35.2 85.9-176.0 76.2 36.5 48.0 172 180 A S G 34 S+ 0 0 32 1,-0.3 5,-0.3 2,-0.2 4,-0.3 0.688 130.8 72.0 -55.3 -19.0 77.9 38.7 50.4 173 181 A F G X4 S+ 0 0 9 -3,-0.5 3,-1.2 1,-0.2 -1,-0.3 0.945 100.3 43.6 -57.4 -46.8 80.4 35.8 50.5 174 182 A R T <4 S+ 0 0 56 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.676 111.4 55.7 -65.8 -30.3 81.5 36.8 47.1 175 183 A R T 3< S- 0 0 63 -4,-0.9 -1,-0.3 147,-0.1 -2,-0.2 0.268 124.1 -96.3 -90.2 3.7 81.5 40.5 48.1 176 184 A G < + 0 0 32 -3,-1.2 -3,-0.1 -4,-0.3 -4,-0.1 -0.442 60.5 167.9 116.3 -58.1 83.8 40.1 51.1 177 185 A A - 0 0 32 -5,-0.3 -1,-0.2 -2,-0.2 -33,-0.1 0.654 40.4-131.5 7.8 122.6 81.5 39.8 54.1 178 186 A E S S- 0 0 154 1,-0.1 -34,-2.5 -35,-0.1 -33,-0.3 0.809 88.8 -3.8 -60.4 -26.2 83.0 38.6 57.4 179 187 A S E -A 143 0A 40 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.979 68.5-151.3-159.5 161.9 80.2 36.1 57.7 180 188 A S E -A 142 0A 2 -38,-2.9 -38,-4.7 -2,-0.3 3,-0.1 -0.788 21.6-126.0-135.5 176.1 77.1 35.1 55.9 181 189 A G S S- 0 0 37 1,-0.3 65,-0.3 -2,-0.3 2,-0.3 0.680 83.8 -16.6 -94.7 -32.4 73.8 33.5 56.6 182 190 A D S S- 0 0 72 -40,-0.1 2,-0.6 63,-0.1 -1,-0.3 -0.991 72.0 -92.3-167.2 161.9 73.9 30.6 54.2 183 191 A M E - c 0 247B 2 63,-2.0 65,-2.1 -2,-0.3 2,-0.6 -0.725 28.1-167.9 -96.6 132.8 75.6 29.3 51.2 184 192 A D E - c 0 248B 27 -2,-0.6 -14,-2.4 -14,-0.5 2,-0.7 -0.844 4.1-173.5-113.8 100.2 74.4 30.1 47.7 185 193 A V E -Bc 169 249B 1 63,-2.4 65,-1.7 -2,-0.6 2,-0.5 -0.793 9.6-156.7 -96.1 109.3 76.0 28.1 44.9 186 194 A L E -Bc 168 250B 3 -18,-2.3 -18,-1.2 -2,-0.7 2,-0.3 -0.709 20.5-165.7 -84.1 121.1 75.0 29.1 41.2 187 195 A L E +B 167 0B 1 63,-3.0 65,-0.5 -2,-0.5 2,-0.3 -0.819 16.5 156.3-114.6 154.8 75.5 26.2 39.0 188 196 A T E -B 166 0B 0 -22,-1.2 -22,-1.3 -2,-0.3 5,-0.1 -0.968 18.5-158.0-162.9 170.1 75.7 25.7 35.2 189 197 A H B > -Fg 192 253C 12 63,-0.7 3,-2.0 3,-0.6 65,-0.9 -0.976 28.9-123.7-159.0 142.0 77.0 23.6 32.4 190 198 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.820 110.3 64.0 -58.3 -31.7 77.7 24.1 28.7 191 199 A S T 3 S+ 0 0 58 1,-0.1 2,-0.3 -27,-0.1 -27,-0.0 0.351 101.6 60.1 -77.5 11.7 75.4 21.3 27.8 192 200 A F B < +F 189 0C 16 -3,-2.0 62,-3.6 60,-0.1 -3,-0.6 -0.930 59.8 133.2-148.3 118.2 72.4 23.3 29.3 193 201 A T S S- 0 0 28 60,-0.4 5,-0.2 -2,-0.3 3,-0.2 -0.952 71.2 -53.8-156.0 157.2 71.2 26.7 28.2 194 202 A S S S+ 0 0 67 -2,-0.3 4,-0.1 1,-0.2 62,-0.0 0.389 131.8 19.5 3.3 -64.9 67.8 28.4 27.4 195 203 A E S S+ 0 0 147 2,-0.1 -1,-0.2 1,-0.0 2,-0.2 0.952 87.8 104.3 -85.2 -60.2 66.7 25.8 24.7 196 204 A S S S- 0 0 42 -3,-0.2 2,-2.2 1,-0.2 -3,-0.2 -0.016 87.5-114.9 -33.4 84.6 68.7 22.5 25.3 197 205 A T - 0 0 131 -2,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 0.074 52.2 -89.6 -26.8 53.3 65.8 20.7 26.9 198 206 A K - 0 0 100 -2,-2.2 -5,-0.0 -5,-0.2 -3,-0.0 0.139 21.2-138.7 63.8 178.6 67.2 20.2 30.4 199 207 A Q >> - 0 0 72 25,-0.2 3,-1.5 -7,-0.0 4,-0.7 -0.305 15.0-174.8 177.7 72.3 69.2 17.6 32.0 200 208 A P H 3> S+ 0 0 47 0, 0.0 4,-1.7 0, 0.0 3,-0.1 0.660 85.3 66.9 -51.9 -20.7 67.7 17.2 35.5 201 209 A K H 3> S+ 0 0 134 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.955 84.8 70.7 -67.3 -46.8 70.5 14.9 36.1 202 210 A L H <> S+ 0 0 1 -3,-1.5 4,-0.7 1,-0.3 -1,-0.2 0.786 107.0 37.0 -37.1 -43.7 72.9 17.8 35.8 203 211 A L H X S+ 0 0 0 -4,-0.7 4,-1.7 21,-0.3 -1,-0.3 0.964 118.2 51.5 -74.5 -46.4 71.5 19.0 39.1 204 212 A H H X S+ 0 0 49 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.849 99.6 58.9 -51.4 -55.1 71.2 15.5 40.6 205 213 A Q H X S+ 0 0 68 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.904 109.3 48.2 -45.6 -52.8 74.7 14.1 40.0 206 214 A V H X S+ 0 0 1 -4,-0.7 4,-2.4 -5,-0.4 5,-0.2 0.921 110.0 46.4 -58.6 -52.3 76.1 16.9 42.0 207 215 A V H X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.3 -1,-0.2 0.902 111.3 55.6 -57.2 -39.8 73.8 16.7 45.0 208 216 A E H X S+ 0 0 137 -4,-2.9 4,-2.5 2,-0.2 -1,-0.3 0.900 107.4 50.0 -58.9 -40.1 74.4 13.0 45.0 209 217 A Q H X S+ 0 0 31 -4,-2.0 4,-1.0 -5,-0.3 3,-0.3 0.997 109.3 48.5 -61.5 -61.8 78.1 13.7 45.1 210 218 A L H <>S+ 0 0 1 -4,-2.4 5,-3.2 1,-0.3 6,-1.6 0.744 114.2 48.8 -49.0 -30.7 78.0 16.1 48.0 211 219 A Q H ><5S+ 0 0 84 -4,-1.9 3,-2.6 -5,-0.2 -1,-0.3 0.909 101.8 62.2 -71.7 -48.7 75.8 13.6 49.8 212 220 A K H 3<5S+ 0 0 155 -4,-2.5 -2,-0.2 -3,-0.3 -1,-0.2 0.644 109.7 40.7 -51.6 -26.0 78.1 10.7 49.1 213 221 A V T 3<5S- 0 0 51 -4,-1.0 -1,-0.3 -3,-0.1 -2,-0.2 0.085 119.1-107.2-112.6 15.3 80.8 12.3 51.0 214 222 A H T < 5S+ 0 0 144 -3,-2.6 18,-0.3 -5,-0.2 -3,-0.2 0.765 85.4 120.3 66.7 25.2 78.7 13.6 53.8 215 223 A F S -g 189 0C 18 0, 0.0 3,-2.4 0, 0.0 -60,-0.4 -0.497 34.6-129.5 -60.1 118.1 71.4 27.6 31.5 254 262 A K G > 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