==== 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 1ZQG . 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) . 18066.0 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 . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.9 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 . 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 1 1 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 . 0 1 0 1 2 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 0 216 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -15.9 67.3 57.9 57.0 2 10 A T + 0 0 125 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.223 360.0 68.3-168.0 -18.7 67.2 59.2 60.5 3 11 A L S S+ 0 0 58 1,-0.2 42,-0.4 36,-0.1 3,-0.1 0.788 116.9 28.2 -86.0 -19.9 65.0 62.2 60.5 4 12 A N S >> S+ 0 0 10 35,-0.2 4,-2.2 40,-0.1 3,-0.7 0.451 91.3 116.4-112.2 -1.7 62.0 60.1 59.8 5 13 A G H 3> + 0 0 14 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.698 69.6 47.9 -30.3 -60.7 63.3 57.0 61.4 6 14 A G H 3> S+ 0 0 36 -4,-0.3 4,-3.6 2,-0.2 5,-0.3 0.918 112.3 50.8 -57.7 -45.8 60.8 56.4 64.3 7 15 A I H <> S+ 0 0 6 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.935 112.9 46.6 -59.3 -44.8 57.9 56.9 62.1 8 16 A T H X S+ 0 0 18 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.923 114.9 44.6 -66.5 -41.2 59.3 54.5 59.8 9 17 A D H X S+ 0 0 102 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.862 115.1 47.4 -70.0 -34.1 60.1 51.9 62.3 10 18 A M H X S+ 0 0 6 -4,-3.6 4,-3.0 -5,-0.2 -2,-0.2 0.956 113.6 49.3 -62.0 -52.7 56.8 52.2 64.2 11 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.760 111.1 48.7 -55.5 -42.9 55.0 52.0 60.9 12 20 A T H X S+ 0 0 49 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.852 110.8 50.5 -71.5 -37.4 56.9 49.0 59.7 13 21 A E H X S+ 0 0 95 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.950 111.2 50.8 -59.0 -51.1 56.3 47.3 63.0 14 22 A L H X S+ 0 0 0 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.893 112.7 45.5 -51.3 -50.0 52.7 48.2 62.5 15 23 A A H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 3,-0.5 0.992 107.0 54.0 -60.6 -66.7 52.7 46.7 59.1 16 24 A N H X S+ 0 0 85 -4,-3.0 4,-2.1 1,-0.3 5,-0.3 0.720 105.9 59.6 -41.1 -27.3 54.5 43.4 59.8 17 25 A F H X>S+ 0 0 36 -4,-1.4 4,-1.4 -5,-0.3 5,-1.1 1.000 104.2 43.4 -67.2 -63.8 52.0 42.8 62.4 18 26 A E H <5S+ 0 0 7 -4,-1.4 6,-0.8 -3,-0.5 -2,-0.2 0.861 113.8 55.3 -46.0 -46.2 48.8 42.9 60.3 19 27 A K H <5S+ 0 0 82 -4,-1.9 -1,-0.3 5,-0.2 -2,-0.2 0.945 123.2 19.7 -56.1 -55.4 50.6 40.9 57.8 20 28 A N H <5S+ 0 0 18 -4,-2.1 -2,-0.2 -3,-0.2 -3,-0.2 0.988 129.9 34.2 -83.2 -66.8 51.6 38.0 60.2 21 29 A V T <5S+ 0 0 29 -4,-1.4 -3,-0.2 -5,-0.3 2,-0.1 0.852 130.2 31.1 -58.7 -42.3 49.4 37.9 63.3 22 30 A S S + 0 0 28 -6,-0.8 4,-3.3 1,-0.2 3,-0.5 -0.296 19.8 168.2 -65.2 52.7 45.2 42.0 56.8 25 33 A I H > S+ 0 0 100 -2,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.755 76.0 48.7 -34.3 -42.8 47.2 42.1 53.6 26 34 A H H > S+ 0 0 145 2,-0.3 4,-4.1 3,-0.2 -1,-0.2 0.927 111.5 43.3 -69.0 -54.7 45.8 45.5 52.7 27 35 A K H > S+ 0 0 113 -3,-0.5 4,-3.1 2,-0.2 5,-0.2 0.900 117.0 53.3 -59.1 -41.7 46.3 47.4 56.0 28 36 A Y H X S+ 0 0 34 -4,-3.3 4,-1.7 1,-0.2 -2,-0.3 0.944 109.5 43.3 -58.7 -47.7 49.6 45.8 55.8 29 37 A N H X S+ 0 0 82 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.932 110.3 60.1 -63.5 -42.5 50.3 47.0 52.4 30 38 A A H X S+ 0 0 31 -4,-4.1 4,-1.6 1,-0.2 5,-0.2 0.916 103.6 49.7 -49.9 -51.0 48.9 50.4 53.6 31 39 A Y H X S+ 0 0 13 -4,-3.1 4,-3.1 1,-0.2 -1,-0.2 0.920 108.3 53.2 -55.9 -47.7 51.5 50.7 56.3 32 40 A R H X S+ 0 0 134 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.835 105.8 49.7 -61.3 -36.7 54.4 49.9 54.0 33 41 A K H X S+ 0 0 72 -4,-1.8 4,-3.2 -3,-0.2 -1,-0.2 0.941 115.7 44.3 -68.3 -40.9 53.7 52.5 51.4 34 42 A A H X S+ 0 0 0 -4,-1.6 4,-4.1 2,-0.3 5,-0.4 0.909 111.3 53.0 -61.5 -48.2 53.4 55.1 54.0 35 43 A A H X S+ 0 0 7 -4,-3.1 4,-1.1 -5,-0.2 -1,-0.2 0.894 113.2 48.1 -53.0 -42.1 56.4 53.8 55.7 36 44 A S H X S+ 0 0 52 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.3 0.949 115.1 39.1 -64.7 -60.0 58.0 54.2 52.3 37 45 A V H >X S+ 0 0 33 -4,-3.2 4,-1.5 1,-0.2 3,-0.6 0.858 113.2 54.9 -66.3 -36.2 56.9 57.7 51.4 38 46 A I H 3< S+ 0 0 0 -4,-4.1 -1,-0.2 1,-0.2 -2,-0.2 0.879 104.4 58.6 -64.0 -32.7 57.4 59.1 54.9 39 47 A A H 3< S+ 0 0 46 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.2 0.764 104.7 48.9 -62.3 -30.9 60.9 57.7 54.6 40 48 A K H << S+ 0 0 178 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.838 81.5 114.4 -78.7 -36.6 61.6 59.9 51.5 41 49 A Y < - 0 0 56 -4,-1.5 4,-0.1 1,-0.2 -38,-0.1 -0.191 61.5-145.4 -49.7 121.7 60.3 63.1 53.0 42 50 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.088 71.7 57.3 -72.0 5.1 63.2 65.5 53.4 43 51 A H S S- 0 0 102 -40,-0.0 2,-0.5 -39,-0.0 -40,-0.0 -0.870 92.5 -84.2-138.3 172.5 62.0 67.1 56.6 44 52 A K - 0 0 106 -2,-0.3 2,-0.6 1,-0.1 -40,-0.1 -0.662 42.5-124.7 -80.8 120.8 61.1 66.3 60.1 45 53 A I - 0 0 7 -2,-0.5 3,-0.1 -42,-0.4 -1,-0.1 -0.450 29.6-176.8 -66.7 115.2 57.5 65.2 60.4 46 54 A K - 0 0 148 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.520 60.1 -11.7 -94.8 -0.2 56.1 67.7 62.9 47 55 A S > - 0 0 34 1,-0.1 4,-2.2 22,-0.0 3,-0.4 -0.882 70.0 -96.9 174.1 157.8 52.6 66.3 63.2 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-4.0 1,-0.2 5,-0.2 0.939 120.1 63.5 -51.1 -50.1 50.1 63.8 61.7 49 57 A A H > S+ 0 0 68 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.837 107.0 39.2 -35.2 -59.2 48.7 66.9 59.9 50 58 A E H >4 S+ 0 0 44 -3,-0.4 3,-0.8 1,-0.2 -1,-0.3 0.868 117.8 49.9 -63.8 -43.4 51.9 67.5 57.9 51 59 A A H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.907 100.8 66.2 -61.3 -44.4 52.4 63.8 57.4 52 60 A K H 3< S+ 0 0 93 -4,-4.0 -1,-0.2 1,-0.3 -2,-0.2 0.624 81.6 74.2 -49.4 -30.9 48.9 63.6 56.2 53 61 A K T << S+ 0 0 159 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.542 85.8 101.9 -64.3 -8.8 49.7 65.7 53.1 54 62 A L S X S- 0 0 41 -3,-1.8 2,-0.7 1,-0.1 3,-0.6 -0.155 85.5 -98.9 -77.4 173.0 51.4 62.6 52.0 55 63 A P T 3 S+ 0 0 89 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.814 111.1 14.0 -96.3 120.9 50.4 60.1 49.6 56 64 A G T 3 S+ 0 0 36 -2,-0.7 2,-1.4 1,-0.2 -22,-0.2 0.350 94.4 132.0 95.0 0.4 49.0 57.0 51.3 57 65 A V < + 0 0 9 -3,-0.6 -1,-0.2 -5,-0.2 -3,-0.1 -0.636 34.8 177.3 -91.2 86.1 48.8 59.1 54.3 58 66 A G > - 0 0 27 -2,-1.4 4,-2.5 -3,-0.1 3,-0.2 -0.123 45.9-100.5 -80.2 176.0 45.4 58.5 55.7 59 67 A T H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.855 119.0 58.9 -64.6 -36.9 43.7 59.7 58.7 60 68 A K H > S+ 0 0 139 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.821 112.6 37.3 -61.7 -38.1 44.4 56.4 60.5 61 69 A I H > S+ 0 0 13 -3,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.833 111.5 57.9 -82.0 -41.9 48.1 56.6 60.2 62 70 A A H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -14,-0.2 0.924 106.4 53.4 -55.9 -40.9 48.2 60.4 60.7 63 71 A E H X S+ 0 0 130 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.963 107.9 47.9 -57.8 -52.9 46.5 59.5 64.0 64 72 A K H X S+ 0 0 36 -4,-1.2 4,-1.9 1,-0.2 5,-0.3 0.889 106.7 59.2 -58.1 -36.5 49.2 57.1 64.8 65 73 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.949 104.2 48.8 -62.2 -42.9 51.8 59.6 64.0 66 74 A D H X S+ 0 0 71 -4,-2.2 4,-3.5 1,-0.2 5,-0.3 0.973 108.6 52.4 -61.3 -48.3 50.6 62.1 66.5 67 75 A E H X S+ 0 0 80 -4,-1.7 4,-1.9 1,-0.3 6,-0.5 0.872 115.0 42.9 -53.0 -39.0 50.5 59.6 69.4 68 76 A F H < S+ 0 0 57 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.863 114.6 50.9 -77.4 -33.8 54.0 58.7 68.6 69 77 A L H < S+ 0 0 55 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.995 116.2 38.7 -63.8 -58.8 55.0 62.2 68.2 70 78 A A H < S+ 0 0 91 -4,-3.5 2,-0.5 -5,-0.1 -2,-0.2 0.905 126.5 30.4 -55.1 -56.0 53.6 63.4 71.4 71 79 A T S < S- 0 0 67 -4,-1.9 2,-3.4 -5,-0.3 -1,-0.1 -0.936 87.8-118.2-110.9 128.2 54.5 60.4 73.7 72 80 A G S S+ 0 0 77 -2,-0.5 2,-0.3 -3,-0.0 -4,-0.1 0.237 92.3 41.3 -51.4 25.2 57.6 58.3 72.9 73 81 A K - 0 0 99 -2,-3.4 2,-0.3 -6,-0.5 -2,-0.3 -0.834 68.5-129.8-153.4-168.1 55.3 55.4 72.3 74 82 A L > - 0 0 2 -2,-0.3 4,-3.1 1,-0.2 5,-0.1 -0.935 14.9-142.3-155.7 126.4 52.2 53.9 70.9 75 83 A R H > S+ 0 0 158 -2,-0.3 4,-4.4 2,-0.2 5,-0.3 0.962 101.3 49.2 -56.0 -60.5 49.7 51.7 72.7 76 84 A K H > S+ 0 0 69 1,-0.3 4,-2.4 2,-0.3 -1,-0.2 0.832 113.8 51.3 -46.6 -36.4 48.7 49.4 70.0 77 85 A L H > S+ 0 0 15 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.991 114.2 41.2 -64.9 -56.4 52.3 49.0 69.6 78 86 A E H X S+ 0 0 79 -4,-3.1 4,-1.6 1,-0.2 -2,-0.3 0.888 114.4 51.8 -56.2 -46.5 52.8 48.3 73.3 79 87 A K H X S+ 0 0 123 -4,-4.4 4,-3.1 2,-0.2 -1,-0.2 0.926 113.2 44.9 -57.5 -47.9 49.8 46.1 73.5 80 88 A I H < S+ 0 0 22 -4,-2.4 7,-0.3 -5,-0.3 -2,-0.2 0.942 108.4 56.2 -59.3 -50.8 51.1 44.0 70.5 81 89 A R H < S+ 0 0 185 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.817 114.6 42.3 -49.9 -36.2 54.6 43.9 71.9 82 90 A Q H < S+ 0 0 134 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.983 85.9 111.7 -75.5 -63.7 53.0 42.4 74.9 83 91 A D X - 0 0 66 -4,-3.1 4,-3.3 1,-0.1 5,-0.3 0.253 54.0-155.3 -23.3 103.5 50.5 40.0 73.3 84 92 A D H > S+ 0 0 104 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.765 91.5 49.6 -58.7 -27.3 51.5 36.4 73.9 85 93 A T H > S+ 0 0 48 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.990 112.0 44.3 -75.4 -56.1 49.7 35.1 70.9 86 94 A S H >> S+ 0 0 5 1,-0.3 4,-1.8 2,-0.2 3,-0.8 0.915 114.0 52.5 -48.2 -51.5 51.1 37.6 68.5 87 95 A S H 3X S+ 0 0 50 -4,-3.3 4,-1.5 -7,-0.3 -1,-0.3 0.882 104.3 58.2 -52.6 -42.5 54.5 37.0 70.0 88 96 A S H 3X S+ 0 0 11 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.3 0.867 104.5 50.6 -58.4 -37.5 54.0 33.4 69.5 89 97 A I H < S+ 0 0 63 -4,-1.5 3,-1.1 -5,-0.2 4,-0.3 0.905 105.9 53.8 -84.6 -49.5 58.6 33.2 67.1 92 100 A L H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.3 6,-0.2 0.871 99.4 68.6 -54.1 -36.6 57.3 30.0 65.5 93 101 A T T 3< S+ 0 0 47 -4,-2.0 5,-0.4 1,-0.3 4,-0.3 0.865 80.5 73.0 -51.8 -42.4 58.1 31.6 62.3 94 102 A R T < S+ 0 0 118 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.3 0.698 77.0 100.3 -51.2 -16.4 62.0 31.4 62.9 95 103 A V S X S- 0 0 2 -3,-2.2 3,-2.0 -4,-0.3 2,-1.1 -0.521 88.7-117.6 -72.9 131.7 61.5 27.8 62.3 96 104 A S T 3 S+ 0 0 35 -2,-0.3 35,-0.5 1,-0.3 36,-0.2 -0.568 104.4 28.1 -76.5 107.5 62.6 27.0 58.8 97 105 A G T 3 S+ 0 0 29 -2,-1.1 2,-0.5 1,-0.5 -1,-0.3 0.163 99.6 100.4 130.0 -14.9 59.5 25.8 57.2 98 106 A I < + 0 0 11 -3,-2.0 -1,-0.5 -5,-0.4 3,-0.0 -0.858 42.7 160.8-103.7 131.1 57.1 27.7 59.3 99 107 A G > - 0 0 28 -2,-0.5 4,-2.8 -3,-0.1 3,-0.4 -0.761 57.1 -64.7-138.4-178.5 55.6 30.8 58.0 100 108 A P H > S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.837 127.0 48.0 -40.7 -53.5 52.6 32.9 58.8 101 109 A S H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.928 116.8 41.6 -60.4 -45.1 50.0 30.4 57.9 102 110 A A H > S+ 0 0 17 -3,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.869 110.7 57.9 -72.0 -32.5 51.5 27.5 59.7 103 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.992 110.9 43.5 -56.3 -61.0 52.4 29.7 62.7 104 112 A R H X S+ 0 0 58 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.841 112.8 51.1 -52.6 -41.7 48.8 30.7 63.2 105 113 A K H X S+ 0 0 101 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.964 111.5 47.9 -63.5 -47.4 47.6 27.2 62.7 106 114 A F H X>S+ 0 0 1 -4,-3.0 5,-2.3 1,-0.2 4,-0.6 0.887 110.6 51.6 -57.7 -42.6 50.0 25.8 65.3 107 115 A V H ><5S+ 0 0 3 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.955 106.0 54.4 -60.6 -50.1 49.2 28.5 67.8 108 116 A D H 3<5S+ 0 0 135 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 106.9 50.9 -57.5 -25.8 45.5 27.8 67.4 109 117 A E H 3<5S- 0 0 100 -4,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.610 125.6-107.1 -84.7 -12.9 46.3 24.2 68.2 110 118 A G T <<5S+ 0 0 39 -3,-2.2 2,-1.0 -4,-0.6 -3,-0.2 0.292 76.8 133.2 106.6 -8.8 48.2 25.4 71.3 111 119 A I < + 0 0 7 -5,-2.3 -1,-0.2 1,-0.2 -2,-0.1 -0.647 15.5 146.2 -75.3 100.7 51.8 24.8 70.1 112 120 A K + 0 0 73 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.2 0.453 51.4 57.5-119.2 -1.2 53.5 28.1 71.0 113 121 A T S > S- 0 0 59 -3,-0.1 4,-3.6 1,-0.1 5,-0.2 -0.909 82.3-111.2-136.5 161.4 56.9 26.9 71.9 114 122 A L H > S+ 0 0 29 -2,-0.3 4,-1.7 1,-0.3 5,-0.1 0.858 121.7 48.9 -50.0 -39.5 59.9 25.1 70.8 115 123 A E H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.930 105.8 55.8 -70.9 -40.4 59.1 22.4 73.1 116 124 A D H > S+ 0 0 37 1,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.907 105.9 55.0 -54.8 -43.2 55.5 22.2 71.9 117 125 A L H >< S+ 0 0 1 -4,-3.6 3,-0.6 1,-0.2 -1,-0.3 0.910 106.7 48.4 -59.7 -41.8 57.0 21.7 68.6 118 126 A R H >< S+ 0 0 128 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.945 104.7 58.3 -63.9 -43.2 59.0 18.8 69.7 119 127 A K H 3< S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.757 116.7 36.7 -55.4 -25.7 56.1 17.1 71.4 120 128 A N T X< + 0 0 41 -4,-1.1 3,-1.6 -3,-0.6 -1,-0.3 -0.281 64.4 142.0-126.0 49.0 54.4 17.2 68.2 121 129 A E G X S+ 0 0 97 -3,-1.6 3,-1.7 1,-0.3 -1,-0.1 0.818 71.7 69.1 -59.4 -26.2 57.0 16.6 65.5 122 130 A D G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.799 91.0 57.0 -60.9 -31.1 54.3 14.5 63.8 123 131 A K G < S+ 0 0 85 -3,-1.6 2,-0.3 -6,-0.2 -1,-0.3 0.224 99.0 87.6 -83.4 7.8 52.2 17.7 63.0 124 132 A L S < S- 0 0 8 -3,-1.7 2,-0.2 -7,-0.1 -3,-0.0 -0.853 74.9-133.3-111.5 143.3 55.4 18.8 61.3 125 133 A N > - 0 0 83 -2,-0.3 4,-2.5 -28,-0.1 3,-0.3 -0.669 36.8 -96.6 -96.0 154.2 56.5 18.2 57.6 126 134 A H H > S+ 0 0 116 -2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.777 124.5 52.0 -37.8 -45.8 60.0 17.0 56.6 127 135 A H H >> S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 3,-1.0 0.985 115.8 39.8 -56.1 -59.2 61.1 20.6 55.8 128 136 A Q H 3> S+ 0 0 11 -3,-0.3 4,-2.2 1,-0.3 -2,-0.2 0.774 108.5 62.9 -57.9 -35.1 59.9 21.9 59.3 129 137 A R H 3X S+ 0 0 96 -4,-2.5 4,-2.1 1,-0.2 -1,-0.3 0.816 110.5 39.9 -63.6 -29.2 61.2 18.8 61.0 130 138 A I H < S+ 0 0 7 -4,-2.2 3,-3.3 1,-0.2 -2,-0.2 1.000 108.3 52.8 -62.5 -73.0 63.3 22.1 64.1 133 141 A K H 3< S+ 0 0 121 -4,-2.1 3,-0.2 1,-0.3 -2,-0.2 0.702 119.2 34.3 -38.5 -37.3 66.2 19.8 64.4 134 142 A Y T 3X S+ 0 0 19 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.057 74.0 134.5-114.7 32.5 68.7 22.5 63.5 135 143 A F H <> S+ 0 0 22 -3,-3.3 4,-0.7 2,-0.2 -1,-0.2 0.841 77.6 40.7 -41.4 -47.3 67.0 25.4 65.1 136 144 A G H >> S+ 0 0 37 -4,-0.2 3,-2.5 -3,-0.2 4,-0.9 0.998 114.9 47.5 -64.3 -71.3 70.3 26.7 66.7 137 145 A D H >4 S+ 0 0 34 1,-0.3 3,-0.7 2,-0.2 -2,-0.2 0.780 109.2 56.7 -42.0 -43.6 72.7 26.0 63.9 138 146 A F H 3< S+ 0 0 40 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.803 106.6 48.0 -67.8 -24.0 70.4 27.7 61.4 139 147 A E H << S+ 0 0 97 -3,-2.5 -1,-0.2 -4,-0.7 -2,-0.2 0.694 96.5 96.8 -88.9 -10.4 70.3 30.9 63.3 140 148 A K S << S- 0 0 114 -4,-0.9 -3,-0.0 -3,-0.7 -4,-0.0 -0.398 75.7-116.9 -74.4 145.3 74.0 30.9 63.6 141 149 A R - 0 0 134 -2,-0.1 40,-0.2 1,-0.0 -1,-0.1 -0.163 20.7-120.6 -76.2 174.1 76.3 32.8 61.3 142 150 A I E -A 180 0A 1 38,-2.1 38,-3.4 40,-0.1 2,-0.3 -0.977 20.8-136.0-124.6 111.9 78.9 31.3 59.0 143 151 A P E >> -A 179 0A 44 0, 0.0 3,-4.3 0, 0.0 4,-1.4 -0.568 14.9-131.0 -71.4 126.5 82.5 32.5 59.5 144 152 A R H 3> S+ 0 0 66 34,-2.5 4,-3.0 -2,-0.3 5,-0.2 0.768 108.9 69.7 -41.8 -37.1 84.1 33.2 56.2 145 153 A E H 34 S+ 0 0 118 33,-0.3 -1,-0.3 1,-0.3 4,-0.3 0.659 107.7 36.9 -54.6 -25.8 86.9 31.1 57.6 146 154 A E H <> S+ 0 0 25 -3,-4.3 4,-2.8 2,-0.2 -1,-0.3 0.662 107.0 63.8 -94.9 -37.7 84.4 28.2 57.1 147 155 A M H X S+ 0 0 2 -4,-1.4 4,-3.4 1,-0.2 5,-0.2 0.926 105.4 50.2 -53.2 -45.7 82.9 29.7 53.9 148 156 A L H X S+ 0 0 71 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.823 111.9 45.2 -60.7 -41.2 86.4 29.1 52.5 149 157 A Q H > S+ 0 0 66 -4,-0.3 4,-1.3 -5,-0.2 -1,-0.2 0.746 116.6 45.9 -76.5 -27.8 86.6 25.5 53.7 150 158 A M H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.952 113.1 48.2 -76.4 -56.7 83.1 24.7 52.5 151 159 A Q H X S+ 0 0 55 -4,-3.4 4,-2.3 -5,-0.2 5,-0.3 0.908 108.8 57.1 -49.2 -48.9 83.7 26.4 49.1 152 160 A D H X S+ 0 0 85 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.954 109.4 42.7 -52.8 -52.0 86.9 24.5 48.8 153 161 A I H X S+ 0 0 38 -4,-1.3 4,-1.7 1,-0.2 5,-0.2 0.901 111.9 56.2 -62.6 -37.1 85.2 21.1 49.2 154 162 A V H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 3,-0.5 0.940 105.7 46.6 -60.1 -49.9 82.4 22.0 47.0 155 163 A L H X S+ 0 0 55 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.754 107.7 65.3 -64.4 -23.9 84.5 22.9 44.0 156 164 A N H X S+ 0 0 74 -4,-1.3 4,-1.4 -5,-0.3 -1,-0.2 0.867 107.4 33.5 -69.3 -40.8 86.3 19.7 44.7 157 165 A E H X S+ 0 0 18 -4,-1.7 4,-2.9 -3,-0.5 5,-0.2 0.863 112.6 62.0 -83.4 -29.7 83.6 17.3 44.0 158 166 A V H X S+ 0 0 10 -4,-1.9 4,-1.9 1,-0.3 7,-0.2 0.964 112.2 40.0 -48.6 -57.1 82.0 19.5 41.3 159 167 A K H < S+ 0 0 138 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.857 111.1 59.5 -60.5 -40.7 85.2 19.1 39.5 160 168 A K H < S+ 0 0 130 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.946 107.1 43.8 -56.9 -50.0 85.5 15.5 40.5 161 169 A V H < S- 0 0 56 -4,-2.9 2,-0.4 1,-0.3 -2,-0.2 0.988 136.6 -5.3 -59.0 -63.5 82.2 14.4 38.9 162 170 A D >< - 0 0 46 -4,-1.9 3,-1.1 -5,-0.2 -1,-0.3 -0.997 54.8-148.6-140.7 134.5 82.7 16.3 35.6 163 171 A S T 3 S+ 0 0 86 -2,-0.4 -4,-0.1 1,-0.2 -1,-0.1 0.539 94.2 72.1 -71.4 -15.5 85.6 18.7 34.8 164 172 A E T 3 S+ 0 0 113 -6,-0.1 -1,-0.2 -5,-0.1 27,-0.1 0.470 75.5 104.9 -80.2 -9.8 83.1 20.6 32.6 165 173 A Y < - 0 0 18 -3,-1.1 2,-0.4 -7,-0.2 24,-0.2 -0.263 53.3-155.1 -74.1 162.9 81.1 22.2 35.5 166 174 A I E +B 188 0B 55 22,-1.6 22,-1.5 2,-0.0 2,-0.4 -0.913 14.0 179.2-144.9 111.0 81.3 25.7 36.7 167 175 A A E -B 187 0B 20 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.863 5.1-176.0-113.9 146.2 80.4 26.6 40.2 168 176 A T E -B 186 0B 29 18,-1.1 18,-2.3 -2,-0.4 2,-1.1 -0.989 22.6-139.8-142.9 128.9 80.4 30.0 41.9 169 177 A V E -B 185 0B 6 -2,-0.4 16,-0.2 16,-0.2 5,-0.1 -0.790 34.8-172.5 -94.6 104.1 79.7 30.8 45.4 170 178 A C E +B 184 0B 2 14,-2.0 14,-0.6 -2,-1.1 3,-0.3 -0.135 33.2 62.3 -84.1-177.4 77.7 34.0 45.2 171 179 A G S > S- 0 0 16 90,-0.2 4,-0.9 1,-0.2 3,-0.4 -0.552 106.8 -36.5 100.1-162.7 76.5 36.3 47.8 172 180 A S T 4>S+ 0 0 34 1,-0.2 5,-1.3 2,-0.2 -1,-0.2 0.757 131.5 68.3 -70.1 -25.0 78.2 38.5 50.4 173 181 A F T >45S+ 0 0 12 -3,-0.3 3,-1.0 1,-0.3 -1,-0.2 0.899 102.9 42.8 -52.0 -49.9 80.7 35.7 50.7 174 182 A R T 345S+ 0 0 53 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.655 106.9 61.8 -66.6 -31.9 81.8 36.5 47.2 175 183 A R T 3<5S- 0 0 64 -4,-0.9 -1,-0.3 150,-0.1 -2,-0.2 0.209 124.8-102.7 -84.3 12.5 81.6 40.2 48.1 176 184 A G T < 5 + 0 0 34 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.1 -0.038 60.4 171.5 90.7 -27.1 84.4 39.5 50.8 177 185 A A < - 0 0 29 -5,-1.3 -1,-0.2 1,-0.1 3,-0.1 0.368 41.1-128.3 -17.2 133.7 82.0 39.5 53.9 178 186 A E S S+ 0 0 149 1,-0.2 -34,-2.5 -35,-0.1 -33,-0.3 0.795 89.3 1.6 -59.3 -31.4 83.4 38.5 57.3 179 187 A S E -A 143 0A 42 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.991 64.7-152.5-155.7 161.4 80.5 36.1 57.6 180 188 A S E -A 142 0A 2 -38,-3.4 -38,-2.1 -2,-0.3 3,-0.1 -0.947 20.0-135.9-140.6 158.6 77.5 34.8 55.9 181 189 A G S S- 0 0 34 -2,-0.3 65,-0.4 1,-0.3 2,-0.3 0.754 84.5 -14.8 -81.0 -36.1 74.2 33.3 56.7 182 190 A D S S- 0 0 77 63,-0.1 2,-0.5 -40,-0.1 -1,-0.3 -0.970 73.8 -97.6-164.4 155.3 74.1 30.3 54.2 183 191 A M E - c 0 247B 1 63,-2.0 65,-2.0 -2,-0.3 2,-0.7 -0.762 26.6-161.2 -95.5 133.1 76.0 29.3 51.2 184 192 A D E -Bc 170 248B 29 -14,-0.6 -14,-2.0 -2,-0.5 2,-0.8 -0.834 6.0-171.7-103.1 93.9 74.7 30.0 47.6 185 193 A V E -Bc 169 249B 1 63,-2.2 65,-2.2 -2,-0.7 2,-0.6 -0.787 7.5-158.8 -97.2 111.6 76.2 27.9 44.9 186 194 A L E -Bc 168 250B 4 -18,-2.3 -18,-1.1 -2,-0.8 2,-0.4 -0.645 21.1-162.6 -80.1 113.2 75.3 29.0 41.2 187 195 A L E +B 167 0B 2 63,-2.1 65,-0.4 -2,-0.6 2,-0.3 -0.808 15.4 166.8-111.1 150.3 75.8 26.1 39.0 188 196 A T E -B 166 0B 0 -22,-1.5 -22,-1.6 -2,-0.4 3,-0.1 -0.993 16.5-166.5-154.5 161.6 76.2 25.7 35.3 189 197 A H B > -f 253 0C 12 63,-1.2 65,-1.2 3,-0.5 3,-1.0 -0.995 27.0-134.5-148.0 147.6 77.2 23.5 32.5 190 198 A P T 3 S+ 0 0 56 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.923 107.2 65.7 -66.5 -43.6 77.9 24.0 28.8 191 199 A S T 3 S+ 0 0 61 1,-0.1 2,-0.3 -3,-0.1 11,-0.1 0.221 103.2 60.5 -63.6 20.4 75.8 21.0 27.9 192 200 A F < + 0 0 17 -3,-1.0 62,-5.3 -2,-0.4 -3,-0.5 -0.856 63.8 133.4-158.2 115.6 72.8 23.1 29.4 193 201 A T - 0 0 31 60,-0.4 5,-0.2 3,-0.3 3,-0.2 -0.978 67.9 -52.6-158.8 161.3 71.6 26.4 28.2 194 202 A S S S+ 0 0 68 -2,-0.3 4,-0.0 1,-0.2 0, 0.0 0.380 130.6 12.6 1.6 -55.2 68.4 28.3 27.3 195 203 A E S S+ 0 0 153 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.861 89.9 107.7-102.5 -53.9 67.0 25.7 24.8 196 204 A S S S- 0 0 44 1,-0.2 2,-2.1 -3,-0.2 -3,-0.3 -0.078 87.3-110.9 -36.6 94.6 69.0 22.4 25.3 197 205 A T - 0 0 132 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 -0.002 50.8 -94.0 -35.2 62.4 66.2 20.5 27.0 198 206 A K - 0 0 95 -2,-2.1 -5,-0.1 -5,-0.2 27,-0.1 0.060 20.5-138.5 57.0-168.7 67.7 20.2 30.5 199 207 A Q > - 0 0 77 25,-0.2 3,-3.5 -7,-0.1 4,-0.4 -0.160 16.1-171.6 166.6 72.2 69.6 17.4 31.9 200 208 A P T >> S+ 0 0 45 0, 0.0 4,-1.7 0, 0.0 3,-1.5 0.855 84.6 67.4 -45.1 -42.7 68.1 17.1 35.3 201 209 A K H 3> S+ 0 0 132 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.744 82.7 74.6 -53.4 -26.7 70.9 14.7 36.0 202 210 A L H <> S+ 0 0 2 -3,-3.5 4,-0.9 2,-0.2 -1,-0.3 0.936 106.6 33.2 -52.5 -47.9 73.2 17.6 35.7 203 211 A L H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.4 3,-0.4 0.924 117.3 54.3 -69.0 -50.2 72.0 18.7 39.2 204 212 A H H X S+ 0 0 45 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.663 99.2 64.1 -58.6 -26.3 71.4 15.3 40.6 205 213 A Q H < S+ 0 0 70 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.963 108.8 37.5 -65.3 -53.8 74.9 14.3 39.8 206 214 A V H X S+ 0 0 1 -4,-0.9 4,-2.4 -3,-0.4 5,-0.2 0.786 111.5 57.2 -67.8 -37.8 76.5 16.7 42.1 207 215 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.3 5,-0.2 0.965 109.0 48.5 -60.9 -45.3 74.0 16.6 44.8 208 216 A E H X S+ 0 0 129 -4,-1.5 4,-1.6 2,-0.2 -1,-0.3 0.708 109.2 54.9 -64.3 -21.0 74.7 13.0 45.0 209 217 A Q H > S+ 0 0 28 -4,-0.3 4,-1.1 2,-0.2 3,-0.5 0.990 106.6 46.8 -71.6 -62.6 78.4 13.7 45.0 210 218 A L H X>S+ 0 0 2 -4,-2.4 5,-2.8 1,-0.3 6,-1.1 0.760 115.0 49.4 -40.5 -44.1 78.4 16.0 48.0 211 219 A Q H ><5S+ 0 0 73 -4,-1.9 3,-0.9 4,-0.2 -1,-0.3 0.902 101.4 61.1 -65.8 -48.8 76.2 13.5 49.9 212 220 A K H 3<5S+ 0 0 154 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.757 112.9 39.4 -52.6 -26.5 78.4 10.5 49.0 213 221 A V H 3<5S- 0 0 50 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.574 118.0-110.6-100.4 -14.4 81.1 12.3 50.9 214 222 A H T <<5S+ 0 0 142 -3,-0.9 18,-0.3 -4,-0.7 -3,-0.2 0.571 86.6 114.8 96.1 11.1 79.0 13.7 53.7 215 223 A F S > -f 189 0C 20 0, 0.0 3,-4.8 0, 0.0 4,-0.6 -0.510 35.5-127.5 -61.9 120.1 71.8 27.4 31.3 254 262 A K T 34 S+ 0 0 47 -62,-5.3 4,-0.2 -65,-1.2 -61,-0.2 0.690 109.5 66.0 -43.1 -19.5 75.5 28.1 30.5 255 263 A D T 34 S+ 0 0 67 -63,-0.3 -1,-0.3 1,-0.2 50,-0.3 0.474 105.1 38.1 -83.9 -2.8 74.1 30.9 28.5 256 264 A Q T X> S+ 0 0 37 -3,-4.8 4,-1.9 2,-0.1 3,-0.6 0.488 82.2 105.5-128.4 -1.1 72.8 32.8 31.5 257 265 A Y H >X S+ 0 0 4 -4,-0.6 3,-2.1 1,-0.2 4,-1.9 0.898 76.6 47.7 -43.3 -96.2 75.5 32.3 34.3 258 266 A Y H 3> S+ 0 0 39 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.501 113.4 48.6 -23.6 -32.7 77.4 35.7 34.5 259 267 A C H <> S+ 0 0 9 -3,-0.6 4,-2.6 2,-0.2 -1,-0.3 0.931 118.0 40.9 -76.1 -46.2 74.2 37.8 34.6 260 268 A G H < S+ 0 0 68 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.919 109.5 48.4 -62.5 -61.1 73.1 39.5 40.1 264 272 A F H 3< S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.618 104.4 67.1 -59.2 -21.8 73.0 37.1 43.1 265 273 A T T 3< S+ 0 0 1 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.420 88.9 138.0 -79.4 -7.1 76.4 38.6 44.0 266 274 A G < - 0 0 5 -3,-2.2 2,-0.2 1,-0.1 -1,-0.2 0.091 66.4-147.9 41.3-146.7 74.7 42.0 44.7 267 275 A S > - 0 0 8 59,-0.3 4,-2.6 -3,-0.1 3,-0.5 0.680 38.0-127.9 -71.5 166.1 74.8 44.0 46.7 268 276 A D H > S+ 0 0 134 1,-0.3 4,-1.7 -2,-0.2 -2,-0.1 0.782 112.4 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