==== 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 1ZQC . 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) . 18035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.4 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 . 31 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 5.2 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 . 122 37.3 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 . 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 9 A E 0 0 213 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -20.4 66.9 57.8 56.7 2 10 A T + 0 0 125 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.304 360.0 65.4-164.5 -16.2 66.8 59.1 60.3 3 11 A L S S+ 0 0 59 1,-0.1 42,-0.2 36,-0.1 3,-0.2 0.883 117.8 32.4 -82.2 -34.7 64.7 62.2 60.4 4 12 A N S >> S+ 0 0 6 35,-0.2 4,-2.1 1,-0.1 3,-0.7 0.529 91.3 115.7 -91.6 -11.5 61.8 60.0 59.5 5 13 A G H 3> S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.693 71.6 42.8 -26.2 -69.6 63.0 56.9 61.4 6 14 A G H 3> S+ 0 0 38 -4,-0.3 4,-2.9 1,-0.2 5,-0.3 0.911 114.4 54.0 -56.9 -40.8 60.6 56.2 64.2 7 15 A I H <> S+ 0 0 7 -3,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.924 112.9 43.9 -58.3 -45.2 57.7 56.9 61.9 8 16 A T H X S+ 0 0 21 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.895 116.4 42.5 -68.2 -45.1 59.0 54.4 59.5 9 17 A D H X S+ 0 0 100 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.794 114.4 51.9 -71.6 -27.1 59.9 51.7 61.9 10 18 A M H X S+ 0 0 5 -4,-2.9 4,-3.2 -5,-0.3 -2,-0.2 0.930 111.5 47.9 -64.1 -49.5 56.6 52.2 63.9 11 19 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.680 111.7 50.3 -58.3 -39.0 54.7 51.9 60.6 12 20 A T H X S+ 0 0 54 -4,-1.3 4,-3.2 2,-0.2 5,-0.2 0.887 110.2 47.6 -75.3 -46.0 56.7 48.8 59.6 13 21 A E H X S+ 0 0 94 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.965 112.7 52.3 -55.5 -53.5 56.1 47.1 62.9 14 22 A L H X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.903 114.0 43.5 -45.5 -53.5 52.4 48.2 62.3 15 23 A A H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.934 108.0 56.0 -60.4 -54.3 52.5 46.6 58.9 16 24 A N H X S+ 0 0 89 -4,-3.2 4,-2.1 1,-0.2 5,-0.3 0.853 105.7 53.8 -48.5 -40.7 54.3 43.4 59.8 17 25 A F H X>S+ 0 0 38 -4,-2.2 5,-1.2 -5,-0.2 4,-0.7 0.990 106.1 47.6 -63.1 -59.2 51.7 42.6 62.3 18 26 A E H <5S+ 0 0 9 -4,-1.5 6,-0.5 1,-0.3 4,-0.4 0.903 112.4 52.7 -46.9 -47.8 48.5 42.9 60.1 19 27 A K H <5S+ 0 0 83 -4,-2.1 -1,-0.3 5,-0.2 -2,-0.2 0.940 126.0 19.5 -56.7 -47.1 50.3 40.7 57.5 20 28 A N H <5S+ 0 0 18 -4,-2.1 -3,-0.2 -3,-0.4 -2,-0.2 0.934 129.8 37.7 -92.3 -73.8 51.2 37.9 60.1 21 29 A V T <5S+ 0 0 28 -4,-0.7 2,-0.2 -5,-0.3 -3,-0.2 0.828 131.3 26.5 -49.1 -32.4 49.0 38.0 63.1 22 30 A S S + 0 0 27 -6,-0.5 4,-3.0 1,-0.2 5,-0.3 -0.158 17.0 168.7 -48.5 53.7 45.1 42.0 56.7 25 33 A I H > S+ 0 0 102 -2,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.755 76.8 42.0 -38.6 -39.8 46.9 41.9 53.3 26 34 A H H > S+ 0 0 146 2,-0.2 4,-3.6 3,-0.2 -1,-0.2 0.886 111.6 49.4 -78.4 -49.3 45.7 45.4 52.5 27 35 A K H > S+ 0 0 111 -3,-0.3 4,-2.9 2,-0.3 5,-0.2 0.852 116.4 49.3 -59.2 -39.8 46.1 47.2 55.9 28 36 A Y H X S+ 0 0 32 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.977 110.8 43.0 -65.9 -52.8 49.4 45.7 55.6 29 37 A N H X S+ 0 0 82 -4,-1.6 4,-1.3 -5,-0.3 -2,-0.3 0.847 112.7 61.3 -60.7 -31.9 50.1 46.8 52.2 30 38 A A H >X S+ 0 0 31 -4,-3.6 3,-1.6 1,-0.2 4,-1.5 0.996 102.7 45.5 -56.3 -72.0 48.5 50.1 53.4 31 39 A Y H 3X S+ 0 0 11 -4,-2.9 4,-3.1 1,-0.3 -1,-0.2 0.713 110.2 58.1 -44.0 -31.4 51.2 50.8 56.2 32 40 A R H 3< S+ 0 0 134 -4,-1.5 4,-0.5 2,-0.2 -1,-0.3 0.796 103.1 46.3 -76.1 -32.4 54.0 49.9 53.8 33 41 A K H XX S+ 0 0 74 -3,-1.6 4,-2.8 -4,-1.3 3,-0.9 0.970 119.0 45.0 -70.9 -49.5 53.4 52.4 51.1 34 42 A A H 3X S+ 0 0 0 -4,-1.5 4,-3.4 1,-0.3 5,-0.5 0.953 111.6 50.3 -47.4 -64.6 53.0 55.0 53.8 35 43 A A H 3< S+ 0 0 8 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.719 114.8 49.2 -48.7 -23.6 56.0 53.8 55.6 36 44 A S H <> S+ 0 0 52 -3,-0.9 4,-0.5 -4,-0.5 3,-0.5 0.948 114.2 39.4 -79.9 -55.4 57.6 54.1 52.2 37 45 A V H >X S+ 0 0 37 -4,-2.8 3,-1.3 1,-0.3 4,-1.2 0.872 110.7 57.3 -62.6 -46.7 56.5 57.6 51.3 38 46 A I H 3< S+ 0 0 0 -4,-3.4 -1,-0.3 1,-0.3 -3,-0.2 0.690 104.2 58.6 -59.8 -18.9 57.0 59.0 54.7 39 47 A A H 34 S+ 0 0 42 -5,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.738 103.0 49.1 -79.9 -25.8 60.6 57.8 54.2 40 48 A K H << S+ 0 0 173 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.721 82.9 111.8 -83.8 -27.4 61.2 59.8 51.2 41 49 A Y < - 0 0 56 -4,-1.2 4,-0.1 1,-0.1 -37,-0.1 -0.390 61.1-147.6 -61.4 123.2 60.0 63.0 52.7 42 50 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.117 70.9 62.8 -74.5 5.1 62.9 65.4 53.2 43 51 A H S S- 0 0 106 -39,-0.0 2,-0.4 -40,-0.0 -2,-0.0 -0.885 92.3 -88.9-134.4 168.9 61.6 67.1 56.3 44 52 A K - 0 0 108 -2,-0.3 2,-0.3 1,-0.1 -40,-0.1 -0.638 41.3-123.7 -78.4 126.5 60.7 66.2 59.9 45 53 A I + 0 0 7 -2,-0.4 3,-0.1 -42,-0.2 -1,-0.1 -0.503 32.9 178.9 -69.6 124.1 57.1 65.1 60.2 46 54 A K - 0 0 142 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.631 59.1 -0.6-106.0 -9.0 55.7 67.4 62.7 47 55 A S > - 0 0 36 1,-0.2 4,-2.2 -3,-0.1 -1,-0.4 -0.960 69.4-106.1-171.2 157.2 52.3 66.3 62.9 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-4.2 1,-0.2 3,-0.7 0.965 119.2 57.5 -49.9 -60.3 49.9 63.8 61.4 49 57 A A H 3> S+ 0 0 61 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.814 106.6 48.7 -33.1 -51.9 48.3 66.5 59.5 50 58 A E H >4 S+ 0 0 38 2,-0.2 3,-0.6 1,-0.2 -1,-0.3 0.911 115.5 43.7 -57.6 -50.5 51.6 67.3 57.9 51 59 A A H X< S+ 0 0 0 -4,-2.2 3,-3.5 -3,-0.7 -2,-0.2 0.959 103.4 68.6 -57.1 -55.5 52.1 63.6 57.1 52 60 A K H 3< S+ 0 0 93 -4,-4.2 -1,-0.2 1,-0.3 -2,-0.2 0.701 81.4 71.2 -37.4 -36.9 48.6 63.4 56.0 53 61 A K T << S+ 0 0 166 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.596 88.2 100.8 -62.9 -5.4 49.3 65.6 53.0 54 62 A L S X S- 0 0 36 -3,-3.5 3,-0.7 1,-0.1 2,-0.5 -0.330 84.4-101.3 -81.2 166.0 51.1 62.5 51.8 55 63 A P T 3 S+ 0 0 91 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.689 109.6 16.0 -88.4 128.4 50.1 59.9 49.4 56 64 A G T 3 S+ 0 0 34 -2,-0.5 2,-1.1 1,-0.3 -22,-0.2 0.431 98.6 125.1 87.1 0.7 49.0 56.8 51.0 57 65 A V < + 0 0 10 -3,-0.7 -1,-0.3 -5,-0.2 2,-0.1 -0.726 37.6 169.4-101.1 110.5 48.7 58.8 54.0 58 66 A G > - 0 0 27 -2,-1.1 4,-2.4 -3,-0.1 5,-0.3 -0.365 51.4 -89.6-104.9-174.6 45.3 58.6 55.5 59 67 A T H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.873 119.8 57.6 -59.3 -41.3 43.3 59.5 58.5 60 68 A K H > S+ 0 0 134 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.903 112.8 34.6 -54.0 -56.0 44.2 56.2 60.0 61 69 A I H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 3,-0.3 0.894 112.8 58.9 -67.7 -48.2 47.9 56.4 60.0 62 70 A A H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.3 5,-0.2 0.913 104.9 53.7 -49.6 -47.2 48.1 60.2 60.6 63 71 A E H X S+ 0 0 134 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.3 0.896 108.8 48.9 -55.3 -41.0 46.2 59.5 63.7 64 72 A K H X S+ 0 0 35 -4,-0.9 4,-1.9 -3,-0.3 -2,-0.3 0.951 106.9 54.5 -66.0 -48.6 48.9 57.0 64.5 65 73 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.866 106.0 52.9 -54.8 -40.0 51.7 59.4 63.7 66 74 A D H X S+ 0 0 70 -4,-2.4 4,-3.9 1,-0.2 5,-0.2 0.981 107.4 51.3 -61.1 -49.9 50.3 62.0 66.1 67 75 A E H X S+ 0 0 76 -4,-1.7 4,-2.6 1,-0.3 6,-0.5 0.876 114.0 43.6 -51.1 -44.0 50.2 59.5 69.0 68 76 A F H < S+ 0 0 54 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.834 116.8 47.0 -71.8 -35.4 53.7 58.5 68.5 69 77 A L H < S+ 0 0 56 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.995 115.7 44.4 -68.7 -57.6 54.9 62.1 68.0 70 78 A A H < S+ 0 0 88 -4,-3.9 2,-0.4 -5,-0.2 -2,-0.2 0.925 129.3 20.4 -47.4 -66.2 53.0 63.3 71.0 71 79 A T S < S- 0 0 69 -4,-2.6 2,-1.6 2,-0.3 -1,-0.1 -0.866 88.8-114.9-107.4 138.9 54.0 60.4 73.4 72 80 A G S S+ 0 0 75 -2,-0.4 2,-0.2 2,-0.0 -4,-0.2 0.192 92.4 42.6 -62.8 26.6 57.1 58.3 72.5 73 81 A K S S- 0 0 101 -2,-1.6 2,-0.3 -6,-0.5 -2,-0.3 -0.738 70.6-126.7-147.8-164.0 55.0 55.3 72.0 74 82 A L > - 0 0 2 -2,-0.2 4,-3.3 1,-0.1 5,-0.1 -0.939 12.2-145.2-155.7 127.4 51.9 53.8 70.6 75 83 A R H > S+ 0 0 160 -2,-0.3 4,-3.8 2,-0.2 5,-0.3 0.994 102.1 49.4 -61.5 -59.4 49.3 51.7 72.6 76 84 A K H > S+ 0 0 73 1,-0.3 4,-2.0 2,-0.3 5,-0.2 0.838 115.4 47.3 -45.9 -36.7 48.4 49.4 69.7 77 85 A L H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.988 114.0 45.8 -70.3 -51.2 52.0 49.0 69.3 78 86 A E H X S+ 0 0 76 -4,-3.3 4,-0.7 1,-0.2 -2,-0.3 0.802 114.6 48.7 -57.3 -36.0 52.4 48.4 73.1 79 87 A K H X S+ 0 0 125 -4,-3.8 4,-3.3 2,-0.2 3,-0.4 0.949 112.8 45.4 -68.6 -54.4 49.4 46.0 73.2 80 88 A I H < S+ 0 0 22 -4,-2.0 -2,-0.2 1,-0.3 7,-0.2 0.910 110.2 54.2 -52.8 -49.8 50.6 43.8 70.2 81 89 A R H < S+ 0 0 188 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.787 113.9 44.5 -54.9 -33.5 54.1 43.7 71.5 82 90 A Q H < S+ 0 0 138 -4,-0.7 -2,-0.3 -3,-0.4 -1,-0.2 0.957 88.1 108.6 -77.5 -52.2 52.5 42.4 74.7 83 91 A D X - 0 0 63 -4,-3.3 4,-3.5 1,-0.1 5,-0.2 -0.013 54.7-156.5 -38.2 102.9 50.0 39.9 73.0 84 92 A D H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.807 91.0 47.5 -51.9 -38.6 51.0 36.3 73.6 85 93 A T H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.982 113.8 45.7 -70.4 -52.0 49.3 34.9 70.7 86 94 A S H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.910 113.7 51.4 -55.8 -40.4 50.6 37.4 68.3 87 95 A S H X S+ 0 0 52 -4,-3.5 4,-1.4 1,-0.2 -1,-0.2 0.968 106.2 57.5 -54.8 -53.2 54.0 36.9 69.9 88 96 A S H X S+ 0 0 14 -4,-2.8 4,-2.0 1,-0.3 3,-0.4 0.779 103.1 50.6 -45.0 -49.2 53.5 33.3 69.4 89 97 A I H X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.2 -1,-0.3 0.965 105.6 55.1 -58.8 -53.6 53.1 33.6 65.8 90 98 A N H < S+ 0 0 62 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.764 112.4 45.2 -45.2 -34.2 56.2 35.7 65.3 91 99 A F H >< S+ 0 0 63 -4,-1.4 3,-1.5 -3,-0.4 4,-0.2 0.903 106.1 53.9 -76.2 -55.4 58.2 33.1 66.9 92 100 A L H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 6,-0.3 0.817 100.0 70.1 -53.5 -30.5 56.9 29.9 65.3 93 101 A T T 3< S+ 0 0 41 -4,-1.9 -1,-0.3 1,-0.3 4,-0.3 0.839 81.1 69.4 -56.0 -39.4 57.7 31.7 62.1 94 102 A R T < S+ 0 0 118 -3,-1.5 2,-0.7 -4,-0.4 -1,-0.3 0.560 77.5 101.0 -60.7 -10.5 61.5 31.4 62.6 95 103 A V S X S- 0 0 1 -3,-1.6 3,-2.2 -4,-0.2 2,-0.7 -0.675 85.6-119.9 -83.1 119.9 61.1 27.8 62.0 96 104 A S T 3 S+ 0 0 38 -2,-0.7 35,-0.4 1,-0.3 36,-0.2 -0.457 103.3 29.5 -63.2 106.3 62.1 27.1 58.6 97 105 A G T 3 S+ 0 0 32 -2,-0.7 2,-0.3 1,-0.5 -1,-0.3 -0.118 100.0 101.7 135.4 -30.7 59.1 25.6 56.9 98 106 A I < + 0 0 14 -3,-2.2 -1,-0.5 -6,-0.3 3,-0.0 -0.653 44.2 166.0 -86.7 128.6 56.7 27.6 59.1 99 107 A G > - 0 0 25 -2,-0.3 4,-3.1 -3,-0.1 5,-0.2 -0.703 54.8 -75.9-131.2-177.2 55.1 30.6 57.6 100 108 A P H > S+ 0 0 38 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.898 124.8 55.8 -52.2 -45.8 52.2 32.7 58.7 101 109 A S H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.911 116.1 36.5 -51.7 -52.3 49.5 30.2 57.6 102 110 A A H > S+ 0 0 17 2,-0.2 4,-3.6 3,-0.2 5,-0.3 0.842 110.6 60.9 -73.7 -36.8 50.9 27.5 59.6 103 111 A A H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.964 111.1 42.4 -54.8 -50.1 52.0 29.7 62.5 104 112 A R H X S+ 0 0 55 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.883 113.5 51.0 -61.2 -44.6 48.4 30.7 63.0 105 113 A K H X S+ 0 0 99 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.951 110.1 50.9 -60.5 -48.1 47.2 27.2 62.5 106 114 A F H X>S+ 0 0 0 -4,-3.6 5,-2.4 1,-0.2 4,-0.6 0.853 110.6 48.3 -57.8 -36.2 49.6 25.9 65.0 107 115 A V H ><5S+ 0 0 6 -4,-1.8 3,-1.3 -5,-0.3 -1,-0.2 0.921 103.9 56.9 -71.9 -43.6 48.6 28.3 67.5 108 116 A D H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.797 107.5 50.8 -58.4 -28.0 45.1 27.8 67.2 109 117 A E H 3<5S- 0 0 107 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.566 125.4-105.1 -80.8 -17.8 45.8 24.1 68.0 110 118 A G T <<5S+ 0 0 36 -3,-1.3 2,-1.1 -4,-0.6 3,-0.2 0.356 79.9 130.5 107.3 -1.3 47.8 25.3 71.1 111 119 A I < + 0 0 7 -5,-2.4 -1,-0.2 1,-0.2 -2,-0.1 -0.753 15.8 139.8 -85.5 101.2 51.4 24.7 69.7 112 120 A K + 0 0 70 -2,-1.1 2,-0.2 -3,-0.1 -1,-0.2 0.517 51.5 65.4-118.4 -16.5 53.1 28.0 70.5 113 121 A T S > S- 0 0 60 -3,-0.2 4,-3.0 1,-0.1 5,-0.1 -0.604 82.2-114.1-111.9 169.5 56.5 26.8 71.7 114 122 A L H > S+ 0 0 30 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.969 124.0 44.3 -59.5 -49.5 59.6 25.0 70.5 115 123 A E H > S+ 0 0 125 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.857 108.4 59.3 -61.1 -39.4 58.8 22.2 72.8 116 124 A D H > S+ 0 0 45 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.928 106.3 49.9 -56.6 -41.6 55.2 22.4 71.6 117 125 A L H < S+ 0 0 1 -4,-3.0 -1,-0.3 2,-0.2 -2,-0.2 0.881 108.8 49.2 -64.5 -38.9 56.5 21.8 68.3 118 126 A R H >< S+ 0 0 124 -4,-1.5 3,-2.0 1,-0.2 -2,-0.2 0.969 102.8 59.9 -61.5 -59.6 58.5 18.8 69.3 119 127 A K H 3< S+ 0 0 159 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.695 115.8 37.3 -42.1 -27.9 55.7 17.1 71.2 120 128 A N T >< + 0 0 39 -4,-1.0 3,-2.0 -5,-0.3 -1,-0.3 -0.242 65.6 143.9-127.6 53.0 53.9 17.1 68.0 121 129 A E G X S+ 0 0 101 -3,-2.0 3,-0.6 1,-0.3 -1,-0.1 0.522 71.7 68.6 -63.7 -8.4 56.4 16.5 65.3 122 130 A D G 3 S+ 0 0 122 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.764 89.5 60.3 -79.9 -24.3 53.8 14.5 63.6 123 131 A K G < S+ 0 0 83 -3,-2.0 2,-0.3 -6,-0.2 -1,-0.2 0.469 97.7 84.1 -77.2 -9.8 51.9 17.6 62.9 124 132 A L S < S- 0 0 7 -3,-0.6 2,-0.1 -4,-0.2 -3,-0.0 -0.787 74.6-128.6-105.6 144.4 54.8 18.8 61.0 125 133 A N > - 0 0 86 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.314 39.1 -97.4 -81.1 165.9 56.0 18.3 57.3 126 134 A H H > S+ 0 0 116 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.917 123.5 52.8 -50.1 -49.9 59.6 17.1 56.4 127 135 A H H > S+ 0 0 43 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.959 114.7 39.3 -47.4 -66.5 60.7 20.6 55.8 128 136 A Q H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.696 111.4 60.9 -55.9 -28.1 59.5 21.9 59.1 129 137 A R H X S+ 0 0 94 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.960 111.4 39.1 -63.2 -53.1 60.7 18.7 60.8 130 138 A I H X S+ 0 0 5 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.934 114.0 53.8 -61.8 -47.4 64.2 19.5 59.6 131 139 A G H < S+ 0 0 1 -4,-3.2 -1,-0.2 -35,-0.4 -2,-0.2 0.935 111.0 47.7 -52.9 -46.7 63.8 23.1 60.4 132 140 A L H >< S+ 0 0 11 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.869 110.0 52.5 -60.7 -43.2 62.8 22.1 63.8 133 141 A K H 3< S+ 0 0 124 -4,-3.0 3,-0.2 1,-0.2 -1,-0.2 0.913 117.2 36.4 -64.5 -40.5 65.6 19.9 64.1 134 142 A Y T 3X S+ 0 0 19 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.113 75.3 129.2-102.9 26.6 68.1 22.5 63.1 135 143 A F H <> S+ 0 0 25 -3,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.864 75.7 41.1 -41.1 -59.6 66.6 25.5 64.8 136 144 A G H >> S+ 0 0 40 -3,-0.2 3,-2.8 1,-0.2 4,-1.1 0.979 119.7 43.3 -53.8 -78.7 69.7 26.7 66.6 137 145 A D H 34 S+ 0 0 38 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.753 110.4 58.1 -38.0 -38.8 72.2 26.1 63.8 138 146 A F H 3< S+ 0 0 37 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.854 106.1 47.2 -68.8 -28.6 69.8 27.5 61.3 139 147 A E H << S+ 0 0 95 -3,-2.8 -1,-0.2 -4,-1.3 -2,-0.2 0.782 96.6 98.4 -80.5 -25.2 69.7 30.7 63.0 140 148 A K S < S- 0 0 118 -4,-1.1 2,-0.1 104,-0.2 -4,-0.0 -0.233 74.8-116.1 -66.5 147.6 73.5 30.8 63.3 141 149 A R - 0 0 131 104,-0.0 40,-0.2 1,-0.0 -1,-0.1 -0.292 20.4-121.7 -78.5 161.8 75.7 32.8 61.0 142 150 A I E -A 180 0A 0 38,-4.1 38,-3.3 -2,-0.1 2,-0.3 -0.947 21.9-137.1-111.3 112.8 78.4 31.2 58.6 143 151 A P E >> -A 179 0A 41 0, 0.0 3,-3.9 0, 0.0 4,-1.1 -0.554 14.3-130.8 -72.7 133.4 81.9 32.5 59.2 144 152 A R H 3> S+ 0 0 67 34,-1.8 4,-4.0 1,-0.3 5,-0.2 0.806 110.6 69.7 -42.5 -42.6 83.7 33.2 55.9 145 153 A E H 34 S+ 0 0 117 33,-0.3 4,-0.4 1,-0.3 -1,-0.3 0.609 109.4 34.5 -49.7 -26.8 86.5 31.1 57.4 146 154 A E H <> S+ 0 0 28 -3,-3.9 4,-2.4 2,-0.2 -1,-0.3 0.611 110.0 61.4 -99.3 -32.2 83.9 28.3 56.9 147 155 A M H X S+ 0 0 1 -4,-1.1 4,-3.3 2,-0.2 5,-0.2 0.861 106.1 51.4 -60.5 -42.6 82.4 29.6 53.7 148 156 A L H X S+ 0 0 74 -4,-4.0 4,-1.0 2,-0.2 -1,-0.2 0.894 110.7 45.1 -60.8 -50.4 85.9 29.1 52.4 149 157 A Q H > S+ 0 0 66 -4,-0.4 4,-1.6 -5,-0.2 -2,-0.2 0.846 117.4 46.3 -64.5 -38.4 86.2 25.5 53.6 150 158 A M H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.915 108.5 52.4 -70.4 -50.5 82.8 24.7 52.3 151 159 A Q H X S+ 0 0 56 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.830 107.4 58.8 -56.9 -28.3 83.2 26.3 48.9 152 160 A D H X S+ 0 0 85 -4,-1.0 4,-1.8 -5,-0.2 -1,-0.2 0.981 106.7 41.1 -65.7 -56.7 86.3 24.3 48.7 153 161 A I H X S+ 0 0 37 -4,-1.6 4,-2.2 1,-0.2 3,-0.4 0.956 113.7 56.5 -55.2 -48.2 84.7 20.9 49.0 154 162 A V H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.847 105.8 47.8 -51.4 -45.2 81.9 22.0 46.8 155 163 A L H X S+ 0 0 56 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.822 109.2 59.0 -66.6 -32.1 84.1 22.9 44.0 156 164 A N H X S+ 0 0 71 -4,-1.8 4,-2.3 -3,-0.4 -2,-0.2 0.833 108.2 38.6 -65.0 -45.1 85.9 19.6 44.4 157 165 A E H X S+ 0 0 20 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.978 111.1 60.3 -73.1 -44.3 83.1 17.3 43.9 158 166 A V H X S+ 0 0 9 -4,-1.7 4,-1.9 1,-0.3 7,-0.3 0.845 111.9 41.3 -37.4 -53.3 81.6 19.5 41.2 159 167 A K H < S+ 0 0 134 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.879 111.0 55.3 -63.6 -49.5 84.8 19.0 39.3 160 168 A K H < S+ 0 0 137 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.859 109.2 48.0 -58.0 -43.1 85.2 15.2 40.2 161 169 A V H < S- 0 0 52 -4,-3.0 2,-0.4 1,-0.3 -2,-0.2 0.994 136.7 -8.6 -63.0 -60.4 81.8 14.4 38.8 162 170 A D >< - 0 0 47 -4,-1.9 3,-0.6 -5,-0.2 -1,-0.3 -0.992 54.4-153.8-140.0 138.5 82.2 16.3 35.6 163 171 A S T 3 S+ 0 0 83 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.542 93.3 70.5 -83.2 -17.8 85.1 18.6 34.8 164 172 A E T 3 S+ 0 0 115 -6,-0.1 -1,-0.2 -5,-0.1 27,-0.1 0.416 78.6 110.1 -77.6 -5.3 82.9 20.5 32.4 165 173 A Y < - 0 0 19 -3,-0.6 2,-0.4 -7,-0.3 24,-0.2 -0.261 54.0-154.3 -70.9 158.5 80.8 21.9 35.3 166 174 A I E +B 188 0B 52 22,-1.7 22,-1.8 2,-0.0 2,-0.3 -0.938 16.1 179.2-135.6 111.3 80.9 25.6 36.4 167 175 A A E -B 187 0B 21 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.847 4.3-177.7-115.0 152.7 80.1 26.5 40.0 168 176 A T E -B 186 0B 28 18,-1.2 18,-2.7 -2,-0.3 2,-1.0 -0.995 24.7-140.0-146.0 138.5 80.0 29.7 41.7 169 177 A V E -B 185 0B 4 -2,-0.4 16,-0.2 16,-0.2 5,-0.1 -0.837 33.9-175.9-105.2 101.3 79.3 30.7 45.2 170 178 A C E +B 184 0B 2 14,-1.7 14,-0.6 -2,-1.0 3,-0.3 -0.076 33.6 63.8 -79.3 179.3 77.3 33.9 44.8 171 179 A G S > S- 0 0 15 1,-0.2 4,-0.5 2,-0.2 3,-0.3 -0.531 106.2 -36.6 100.6-169.4 76.0 36.2 47.6 172 180 A S T 4>S+ 0 0 32 1,-0.2 5,-0.6 2,-0.2 3,-0.2 0.738 133.0 65.0 -64.5 -24.9 77.7 38.4 50.2 173 181 A F T >45S+ 0 0 8 -3,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.948 100.5 46.9 -57.0 -54.6 80.3 35.7 50.4 174 182 A R T 345S+ 0 0 50 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.573 109.8 57.6 -61.6 -19.6 81.3 36.4 46.9 175 183 A R T 3<5S- 0 0 60 -4,-0.5 2,-0.7 -3,-0.2 -1,-0.3 0.003 126.0 -97.8-102.2 21.8 81.3 40.1 47.8 176 184 A G T < 5 + 0 0 31 -3,-1.7 -3,-0.1 1,-0.2 -4,-0.1 -0.360 60.0 173.3 95.1 -53.7 83.9 39.7 50.7 177 185 A A < - 0 0 27 -2,-0.7 -1,-0.2 -5,-0.6 -33,-0.1 0.618 37.3-135.3 9.5 109.0 81.3 39.4 53.7 178 186 A E S S+ 0 0 154 1,-0.1 -34,-1.8 -35,-0.1 -33,-0.3 0.752 88.8 5.8 -48.7 -27.6 82.9 38.6 57.0 179 187 A S E -A 143 0A 45 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.988 67.3-155.1-156.7 152.4 80.0 36.2 57.4 180 188 A S E -A 142 0A 1 -38,-3.3 -38,-4.1 -2,-0.3 3,-0.1 -0.834 19.4-135.2-129.3 166.6 77.1 34.8 55.6 181 189 A G S S- 0 0 31 1,-0.3 65,-0.4 -2,-0.3 2,-0.3 0.700 83.0 -20.2 -91.3 -28.6 73.7 33.2 56.4 182 190 A D S S- 0 0 71 -40,-0.1 2,-0.6 63,-0.1 -1,-0.3 -0.983 76.8 -87.6-169.4 163.4 73.8 30.3 54.1 183 191 A M E - c 0 247B 2 63,-1.7 65,-1.5 -2,-0.3 2,-0.9 -0.726 26.7-157.3 -96.6 135.3 75.5 29.3 51.0 184 192 A D E -Bc 170 248B 27 -14,-0.6 -14,-1.7 -2,-0.6 2,-0.6 -0.625 10.1-173.3-100.2 84.4 74.4 30.2 47.5 185 193 A V E -Bc 169 249B 2 63,-1.2 65,-1.6 -2,-0.9 2,-0.5 -0.556 6.2-161.9 -80.6 116.8 75.7 27.8 44.8 186 194 A L E -Bc 168 250B 4 -18,-2.7 -18,-1.2 -2,-0.6 2,-0.4 -0.790 16.4-163.4 -92.0 124.6 74.9 28.9 41.1 187 195 A L E +Bc 167 251B 2 63,-2.5 65,-1.8 -2,-0.5 2,-0.3 -0.872 17.5 156.8-117.4 140.0 75.3 26.0 38.7 188 196 A T E -Bc 166 252B 0 -22,-1.8 -22,-1.7 -2,-0.4 5,-0.1 -0.974 14.7-169.0-149.5 166.8 75.7 25.7 35.0 189 197 A H E > -Dc 192 253B 12 63,-0.9 3,-1.4 3,-0.5 65,-0.9 -0.971 32.2-122.0-154.0 147.3 76.9 23.4 32.4 190 198 A P T 3 S+ 0 0 62 0, 0.0 65,-0.1 0, 0.0 -25,-0.1 0.806 110.6 64.8 -59.0 -33.3 77.5 23.8 28.6 191 199 A S T 3 S+ 0 0 52 1,-0.1 2,-0.3 -27,-0.1 11,-0.1 0.135 101.3 61.1 -77.0 14.8 75.2 21.0 27.8 192 200 A F B < +D 189 0B 15 -3,-1.4 62,-5.6 60,-0.1 -3,-0.5 -0.913 62.5 125.0-154.7 118.5 72.3 23.1 29.3 193 201 A T - 0 0 27 60,-0.4 3,-0.3 3,-0.4 5,-0.2 -0.969 70.0 -44.1-169.4 157.7 71.0 26.4 28.1 194 202 A S S S+ 0 0 66 -2,-0.3 4,-0.1 1,-0.2 0, 0.0 0.186 130.6 7.3 15.7 -70.8 67.9 28.2 27.0 195 203 A E S S+ 0 0 151 2,-0.1 2,-0.4 3,-0.0 -1,-0.2 0.802 90.7 106.8 -97.7 -60.8 66.4 25.5 24.6 196 204 A S S S- 0 0 45 -3,-0.3 2,-1.2 1,-0.2 -3,-0.4 -0.092 86.8-121.8 -22.3 83.2 68.6 22.2 25.1 197 205 A T - 0 0 126 -2,-0.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.138 47.9 -80.6 -54.7 86.6 65.6 20.8 27.0 198 206 A K - 0 0 95 -2,-1.2 -5,-0.1 1,-0.2 27,-0.1 0.245 20.1-142.0 55.8-176.7 67.2 20.0 30.3 199 207 A Q >> - 0 0 77 25,-0.2 3,-3.0 -7,-0.1 4,-0.6 -0.303 18.1-175.5 172.0 67.7 69.2 17.4 31.8 200 208 A P H >> S+ 0 0 42 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.772 84.2 67.3 -44.1 -36.9 67.7 17.2 35.3 201 209 A K H 3> S+ 0 0 140 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.872 85.4 70.9 -56.3 -40.0 70.4 14.7 36.0 202 210 A L H <> S+ 0 0 2 -3,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.900 108.2 35.3 -43.0 -49.8 72.8 17.6 35.6 203 211 A L H X S+ 0 0 43 -4,-2.4 4,-2.2 1,-0.2 3,-0.7 0.853 97.6 61.2 -47.3 -56.9 71.0 15.4 40.2 205 213 A Q H 3X S+ 0 0 73 -4,-3.2 4,-1.3 1,-0.3 -1,-0.2 0.830 107.9 44.1 -42.6 -54.7 74.6 14.1 39.7 206 214 A V H 3X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.3 -1,-0.3 0.765 108.3 54.7 -70.8 -29.4 76.1 16.7 41.9 207 215 A V H S+ 0 0 1 -4,-2.3 5,-2.6 1,-0.3 6,-2.1 0.766 116.0 44.6 -48.0 -33.7 77.8 15.9 47.9 211 219 A Q H ><5S+ 0 0 77 -4,-1.6 3,-2.0 4,-0.2 -1,-0.3 0.933 102.1 64.7 -76.6 -47.9 75.8 13.4 49.8 212 220 A K H 3<5S+ 0 0 155 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.797 111.9 36.3 -44.1 -39.3 77.9 10.5 48.8 213 221 A V T 3<5S- 0 0 51 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.477 120.6-104.4 -96.9 -5.5 80.8 12.0 50.7 214 222 A H T < 5S+ 0 0 140 -3,-2.0 -3,-0.2 -4,-0.3 18,-0.2 0.600 90.1 109.9 95.9 8.6 78.7 13.5 53.6 215 223 A F S -c 189 0B 19 0, 0.0 3,-3.1 0, 0.0 4,-0.5 -0.465 33.8-128.2 -60.5 129.8 71.5 27.4 31.2 254 262 A K G > S+ 0 0 53 -62,-5.6 3,-0.7 -65,-0.9 4,-0.2 0.815 111.0 62.6 -51.0 -29.6 75.1 28.0 30.4 255 263 A D G 3 S+ 0 0 74 -63,-0.3 -1,-0.3 1,-0.2 50,-0.2 0.413 105.6 45.1 -78.9 6.2 73.7 30.8 28.3 256 264 A Q G <> S+ 0 0 39 -3,-3.1 4,-1.3 3,-0.1 -1,-0.2 0.460 82.7 99.2-128.3 2.2 72.3 32.5 31.4 257 265 A Y H X> S+ 0 0 3 -3,-0.7 4,-3.0 -4,-0.5 3,-2.3 0.966 76.0 46.6 -51.1 -91.3 75.0 32.3 34.1 258 266 A Y H 3> S+ 0 0 39 1,-0.3 4,-3.0 2,-0.3 -1,-0.2 0.610 112.8 51.0 -27.3 -39.4 76.9 35.7 34.3 259 267 A C H 3> S+ 0 0 9 29,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.917 118.3 39.5 -69.7 -44.2 73.7 37.7 34.3 260 268 A G H < S+ 0 0 67 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.818 109.1 46.6 -53.7 -57.2 72.7 39.5 39.9 264 272 A F H 3< S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.660 105.9 63.5 -66.2 -22.3 72.7 37.1 42.9 265 273 A T T 3< S+ 0 0 1 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.507 90.6 136.5 -78.4 -13.9 76.0 38.5 43.9 266 274 A G < - 0 0 5 -3,-1.5 2,-0.2 1,-0.1 -1,-0.2 -0.039 64.7-145.0 47.2-141.3 74.3 41.9 44.4 267 275 A S > - 0 0 12 59,-0.3 4,-2.4 -3,-0.1 5,-0.2 0.696 37.9-123.0 -72.3 171.3 74.4 43.9 46.5 268 276 A D H > S+ 0 0 133 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.831 113.4 41.3 -44.0 -43.3 70.7 44.8 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