==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 19-APR-96 7ICL . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-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) . 18036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 70.3 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 . 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 . 26 8.0 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 . 121 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 1 1 3 2 0 0 2 1 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 . 0 1 1 0 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 0 221 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -16.3 67.2 58.2 57.0 2 10 A T + 0 0 118 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.188 360.0 78.8-167.8 -4.6 67.1 59.4 60.6 3 11 A L S S+ 0 0 59 36,-0.1 42,-0.1 1,-0.1 3,-0.1 0.795 113.9 17.3 -87.5 -26.5 64.9 62.3 60.5 4 12 A N S > S+ 0 0 10 35,-0.1 4,-2.2 40,-0.1 5,-0.2 0.157 88.9 125.6-133.5 27.8 61.8 60.3 60.4 5 13 A G H > + 0 0 21 2,-0.2 4,-4.1 1,-0.2 5,-0.2 0.875 69.4 48.5 -49.1 -62.8 63.0 56.9 61.6 6 14 A G H > S+ 0 0 39 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.870 114.2 51.8 -52.0 -37.8 60.7 56.0 64.6 7 15 A I H > S+ 0 0 9 2,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.953 112.7 41.8 -65.0 -52.0 57.8 56.9 62.4 8 16 A T H X S+ 0 0 21 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.869 116.9 52.4 -64.2 -31.9 59.0 54.7 59.7 9 17 A D H X S+ 0 0 94 -4,-4.1 4,-1.9 2,-0.2 -2,-0.3 0.891 107.2 47.5 -71.0 -37.7 59.8 52.2 62.3 10 18 A M H X S+ 0 0 4 -4,-3.5 4,-2.7 2,-0.2 5,-0.2 0.945 110.7 54.8 -64.6 -43.3 56.4 52.1 64.0 11 19 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.881 106.2 52.8 -50.0 -47.9 54.8 51.9 60.6 12 20 A T H X S+ 0 0 54 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.876 109.6 44.6 -58.8 -46.8 56.9 48.9 60.0 13 21 A E H X S+ 0 0 79 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.922 115.7 51.6 -62.0 -42.8 56.0 46.9 63.2 14 22 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.950 112.2 43.5 -53.9 -57.9 52.4 47.9 62.5 15 23 A A H X S+ 0 0 4 -4,-3.2 4,-1.9 1,-0.2 5,-0.3 0.944 111.8 54.5 -57.9 -51.6 52.5 46.6 59.0 16 24 A N H X S+ 0 0 83 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.813 106.8 51.2 -54.2 -34.0 54.3 43.5 60.0 17 25 A F H X>S+ 0 0 29 -4,-2.1 4,-3.6 2,-0.2 5,-1.0 0.935 104.3 57.3 -67.6 -45.9 51.8 42.6 62.4 18 26 A E H <5S+ 0 0 6 -4,-1.8 -2,-0.2 1,-0.3 7,-0.2 0.937 114.4 36.7 -50.2 -55.8 48.9 43.0 60.0 19 27 A K H <5S+ 0 0 79 -4,-1.9 -1,-0.3 5,-0.2 -2,-0.2 0.860 123.5 42.4 -73.3 -34.6 50.3 40.6 57.7 20 28 A N H <5S+ 0 0 24 -4,-2.3 84,-0.2 -5,-0.3 -2,-0.2 0.932 132.5 13.4 -76.2 -45.8 51.7 38.1 60.3 21 29 A V T <5S+ 0 0 32 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.1 0.882 130.7 38.8 -91.0 -76.9 48.8 38.1 63.0 22 30 A S S + 0 0 27 1,-0.2 4,-5.0 -6,-0.1 5,-0.3 0.027 9.1 157.5 -35.8 58.7 45.3 42.4 56.7 25 33 A I H > S+ 0 0 82 -2,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.838 77.6 57.5 -53.0 -36.5 47.4 42.2 53.5 26 34 A H H 4 S+ 0 0 154 2,-0.2 4,-0.5 3,-0.2 -1,-0.2 0.970 114.5 30.6 -57.0 -58.8 45.5 45.2 52.7 27 35 A K H >> S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 3,-1.2 0.919 119.2 57.5 -64.3 -52.6 46.4 47.3 55.6 28 36 A Y H 3X S+ 0 0 37 -4,-5.0 4,-1.2 1,-0.3 3,-0.3 0.888 104.5 50.1 -47.3 -50.0 49.7 45.6 55.8 29 37 A N H 3X S+ 0 0 76 -4,-2.7 4,-1.1 -5,-0.3 -1,-0.3 0.747 109.2 58.5 -60.3 -26.2 50.4 46.7 52.3 30 38 A A H <> S+ 0 0 27 -3,-1.2 4,-2.0 -4,-0.5 -2,-0.2 0.897 97.4 52.3 -73.2 -44.1 49.4 50.1 53.5 31 39 A Y H X S+ 0 0 13 -4,-1.8 4,-3.3 -3,-0.3 5,-0.2 0.846 107.8 60.8 -59.1 -31.8 51.9 50.7 56.3 32 40 A R H X S+ 0 0 137 -4,-1.2 4,-2.2 -5,-0.3 -1,-0.2 0.869 103.6 39.6 -65.2 -49.0 54.5 49.8 53.8 33 41 A K H X S+ 0 0 75 -4,-1.1 4,-3.0 2,-0.2 -1,-0.2 0.935 116.2 58.2 -68.1 -36.7 54.1 52.4 51.2 34 42 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 5,-0.4 0.940 107.2 42.0 -49.9 -62.1 53.6 54.7 54.0 35 43 A A H X S+ 0 0 8 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.885 113.5 58.2 -55.1 -38.6 56.9 54.0 55.6 36 44 A S H X S+ 0 0 64 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.924 109.0 40.3 -58.3 -49.7 58.4 54.1 52.2 37 45 A V H X S+ 0 0 34 -4,-3.0 4,-1.6 -3,-0.2 3,-0.4 0.948 113.4 50.1 -70.3 -48.7 57.2 57.6 51.4 38 46 A I H < S+ 0 0 3 -4,-2.2 5,-0.2 1,-0.2 -1,-0.2 0.808 106.8 63.5 -56.4 -30.9 57.9 59.3 54.8 39 47 A A H < S+ 0 0 45 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.923 104.6 40.0 -59.2 -52.3 61.2 57.7 54.4 40 48 A K H < S+ 0 0 177 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.802 92.8 120.6 -69.7 -25.5 62.2 59.7 51.3 41 49 A Y < - 0 0 40 -4,-1.6 4,-0.1 1,-0.1 -38,-0.1 -0.264 58.0-150.3 -57.6 116.3 60.6 62.7 52.9 42 50 A P + 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.019 62.8 62.8 -68.6 8.2 63.1 65.3 53.4 43 51 A H S S- 0 0 111 -5,-0.2 2,-1.2 -39,-0.0 -40,-0.0 -0.912 86.5 -92.5-142.6 171.7 61.8 67.1 56.5 44 52 A K - 0 0 115 -2,-0.3 2,-0.4 1,-0.0 -40,-0.1 -0.751 40.3-140.6 -88.5 96.5 61.1 66.7 60.1 45 53 A I + 0 0 8 -2,-1.2 3,-0.1 1,-0.2 -1,-0.0 -0.406 24.1 178.8 -59.7 112.4 57.5 65.6 60.3 46 54 A K + 0 0 149 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.608 59.8 13.9 -91.9 -18.4 56.3 67.5 63.2 47 55 A S > - 0 0 40 1,-0.2 4,-1.2 22,-0.0 3,-0.2 -0.980 69.1-112.4-154.7 168.6 52.7 66.3 63.0 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.2 3,-1.1 0.945 115.5 60.2 -65.8 -45.2 50.3 64.0 61.6 49 57 A A H 3> S+ 0 0 67 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.836 103.6 55.5 -46.5 -37.5 48.6 66.7 59.6 50 58 A E H 34 S+ 0 0 49 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.811 110.8 42.2 -68.2 -35.1 52.0 67.1 58.0 51 59 A A H X< S+ 0 0 1 -4,-1.2 3,-4.1 -3,-1.1 6,-0.3 0.945 101.6 64.9 -79.2 -42.5 52.2 63.6 57.0 52 60 A K H 3< S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.803 90.4 71.6 -43.3 -37.0 48.6 63.2 55.8 53 61 A K T 3< S+ 0 0 174 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.842 87.7 84.7 -48.3 -39.4 49.7 65.6 53.3 54 62 A L S < S- 0 0 30 -3,-4.1 2,-0.3 -4,-0.4 3,-0.1 -0.248 92.2-107.4 -69.6 157.0 51.6 62.8 51.9 55 63 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 -0.623 108.5 28.3 -80.8 141.3 50.3 60.3 49.6 56 64 A G S S+ 0 0 30 -2,-0.3 2,-1.3 1,-0.2 -22,-0.2 -0.148 97.4 112.4 94.6 -33.9 49.7 56.9 51.2 57 65 A V + 0 0 9 -6,-0.3 -1,-0.2 -5,-0.1 -26,-0.0 -0.586 47.3 172.8 -82.1 98.8 49.2 58.9 54.3 58 66 A G > - 0 0 28 -2,-1.3 4,-1.5 -3,-0.1 5,-0.1 0.019 48.0 -86.1 -86.2-169.5 45.7 58.6 55.3 59 67 A T H > S+ 0 0 83 2,-0.2 4,-1.0 1,-0.2 -7,-0.1 0.832 122.2 52.1 -74.0 -32.9 43.7 59.7 58.3 60 68 A K H > S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.936 108.2 48.5 -73.1 -40.3 44.5 56.7 60.3 61 69 A I H > S+ 0 0 16 1,-0.3 4,-2.6 2,-0.2 3,-0.2 0.922 108.1 53.4 -62.2 -42.8 48.1 56.8 59.9 62 70 A A H X S+ 0 0 9 -4,-1.5 4,-2.8 1,-0.3 -1,-0.3 0.776 105.6 59.4 -56.7 -30.4 48.2 60.4 60.8 63 71 A E H X S+ 0 0 121 -4,-1.0 4,-1.7 -3,-0.2 -1,-0.3 0.917 107.9 42.4 -63.2 -48.3 46.3 59.2 63.9 64 72 A K H X S+ 0 0 36 -4,-1.7 4,-2.2 -3,-0.2 5,-0.2 0.851 113.5 52.0 -69.1 -39.8 49.1 57.0 64.8 65 73 A I H X S+ 0 0 1 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.940 108.5 52.0 -63.8 -50.5 51.9 59.6 64.0 66 74 A D H X S+ 0 0 71 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.915 112.6 43.7 -54.3 -45.2 50.3 62.2 66.1 67 75 A E H X S+ 0 0 69 -4,-1.7 4,-2.8 2,-0.2 6,-0.4 0.921 117.3 43.5 -67.0 -46.9 50.0 59.9 69.1 68 76 A F H < S+ 0 0 55 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.871 115.8 49.7 -66.9 -35.7 53.5 58.5 68.8 69 77 A L H < S+ 0 0 56 -4,-3.6 -2,-0.2 -5,-0.2 -1,-0.2 0.974 114.0 46.3 -64.2 -45.8 54.7 62.0 68.1 70 78 A A H < S+ 0 0 84 -4,-3.2 2,-0.3 -5,-0.3 -2,-0.2 0.815 128.6 19.7 -58.9 -41.0 52.8 63.2 71.2 71 79 A T S < S- 0 0 62 -4,-2.8 2,-2.5 2,-0.4 -1,-0.2 -0.998 84.2-115.2-132.5 135.1 54.0 60.2 73.4 72 80 A G S S+ 0 0 74 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.287 95.4 63.2 -60.0 28.4 57.1 58.1 72.8 73 81 A K - 0 0 75 -2,-2.5 -2,-0.4 -6,-0.4 2,-0.4 -0.946 68.2-139.8-149.6 170.8 54.7 55.3 72.5 74 82 A L > - 0 0 1 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.981 12.9-151.3-125.2 130.0 51.8 53.8 70.7 75 83 A R H > S+ 0 0 163 -2,-0.4 4,-4.7 2,-0.2 5,-0.3 0.990 101.6 47.2 -70.2 -48.9 49.0 52.1 72.6 76 84 A K H > S+ 0 0 79 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.903 114.2 47.8 -49.0 -50.5 48.3 49.7 69.8 77 85 A L H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.956 116.3 43.6 -55.8 -53.5 51.9 49.0 69.4 78 86 A E H X S+ 0 0 70 -4,-2.3 4,-1.1 2,-0.2 3,-0.3 0.891 113.1 49.3 -60.7 -46.9 52.3 48.4 73.1 79 87 A K H >X S+ 0 0 124 -4,-4.7 4,-1.5 1,-0.2 3,-0.7 0.947 111.5 52.1 -58.9 -44.8 49.2 46.4 73.5 80 88 A I H 3< S+ 0 0 21 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.796 103.7 60.0 -53.4 -38.9 50.5 44.3 70.4 81 89 A R H 3< S+ 0 0 127 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.779 109.2 39.6 -64.3 -36.9 53.9 43.7 72.2 82 90 A Q H << S+ 0 0 138 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.1 0.993 85.0 111.0 -74.6 -64.1 52.5 42.0 75.2 83 91 A D X - 0 0 67 -4,-1.5 4,-1.7 1,-0.1 5,-0.1 0.314 59.0-152.0 -14.9 107.0 49.9 39.9 73.5 84 92 A D H > S+ 0 0 110 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.904 90.0 58.1 -60.2 -39.5 51.0 36.4 73.8 85 93 A T H > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.888 104.2 47.3 -55.7 -47.4 49.2 35.4 70.7 86 94 A S H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 111.4 57.6 -61.2 -40.7 50.9 37.8 68.4 87 95 A S H X S+ 0 0 48 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.801 101.4 52.7 -58.2 -37.6 54.2 36.6 70.1 88 96 A S H X S+ 0 0 13 -4,-1.7 4,-2.6 -3,-0.2 5,-0.4 0.885 110.2 47.2 -71.6 -36.8 53.8 33.1 69.2 89 97 A I H X S+ 0 0 6 -4,-1.4 4,-2.3 -3,-0.2 -2,-0.2 0.999 110.0 50.2 -63.5 -64.3 53.3 33.7 65.7 90 98 A N H < S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.604 119.2 44.4 -44.4 -22.9 56.2 36.1 65.3 91 99 A F H >< S+ 0 0 61 -4,-0.8 3,-2.4 -5,-0.2 -2,-0.2 0.939 109.6 44.2 -87.8 -64.8 58.2 33.4 67.0 92 100 A L H >< S+ 0 0 2 -4,-2.6 3,-3.1 1,-0.3 6,-0.2 0.790 100.5 75.5 -52.9 -34.5 57.3 29.9 65.6 93 101 A T T 3< S+ 0 0 37 -4,-2.3 -1,-0.3 -5,-0.4 4,-0.2 0.638 79.4 74.2 -54.3 -15.6 57.6 31.7 62.3 94 102 A R T < S+ 0 0 119 -3,-2.4 -1,-0.3 -5,-0.2 2,-0.3 0.581 76.4 95.1 -76.2 -13.7 61.4 31.5 62.9 95 103 A V S X S- 0 0 5 -3,-3.1 3,-2.0 4,-0.1 2,-0.5 -0.596 91.7-102.8 -82.1 139.7 61.4 27.9 62.1 96 104 A S T 3 S+ 0 0 38 -2,-0.3 35,-0.5 1,-0.3 36,-0.2 -0.475 108.3 14.6 -68.5 118.3 62.2 26.9 58.6 97 105 A G T 3 S+ 0 0 39 -2,-0.5 2,-0.7 1,-0.4 -1,-0.3 0.142 97.1 112.9 105.3 -15.8 59.0 26.1 56.8 98 106 A I < + 0 0 8 -3,-2.0 -1,-0.4 -6,-0.2 26,-0.0 -0.791 44.4 172.7 -90.1 119.0 56.9 27.6 59.4 99 107 A G > - 0 0 26 -2,-0.7 4,-0.9 -3,-0.1 -4,-0.1 -0.211 48.5 -88.9-106.4-157.5 55.2 30.5 57.8 100 108 A P H > S+ 0 0 45 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.871 123.2 59.1 -84.8 -37.0 52.6 32.7 59.1 101 109 A S H > S+ 0 0 89 1,-0.3 4,-1.6 2,-0.2 -3,-0.1 0.924 114.0 37.8 -54.6 -49.1 49.8 30.7 57.9 102 110 A A H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.743 107.5 67.5 -73.2 -26.3 51.1 27.8 59.8 103 111 A A H X S+ 0 0 0 -4,-0.9 4,-2.0 2,-0.2 5,-0.3 0.982 103.8 45.4 -55.7 -56.4 52.0 30.1 62.6 104 112 A R H X S+ 0 0 45 -4,-3.0 4,-3.6 -84,-0.2 3,-0.3 0.922 110.6 51.1 -49.2 -61.5 48.3 30.7 63.1 105 113 A K H X S+ 0 0 100 -4,-1.6 4,-0.6 1,-0.2 5,-0.2 0.915 111.0 48.5 -45.5 -53.6 47.2 27.0 62.9 106 114 A F H ><>S+ 0 0 0 -4,-2.6 5,-5.1 1,-0.2 3,-0.8 0.889 114.7 43.7 -57.1 -42.5 49.7 25.9 65.5 107 115 A V H ><5S+ 0 0 7 -4,-2.0 3,-2.6 -3,-0.3 -1,-0.2 0.958 108.9 57.5 -66.4 -47.2 48.9 28.5 67.9 108 116 A D H 3<5S+ 0 0 132 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.594 110.6 43.8 -59.2 -10.7 45.4 27.9 67.3 109 117 A E T <<5S- 0 0 116 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.300 128.5-103.8-109.9 -3.3 46.1 24.3 68.3 110 118 A G T < 5S+ 0 0 33 -3,-2.6 2,-0.7 1,-0.3 -3,-0.3 0.731 75.5 138.8 87.7 25.7 48.1 25.7 71.2 111 119 A I < + 0 0 5 -5,-5.1 -1,-0.3 -6,-0.2 -2,-0.2 -0.916 12.0 142.6-100.2 124.7 51.6 25.0 69.9 112 120 A K + 0 0 75 -2,-0.7 2,-0.3 1,-0.1 -1,-0.1 0.232 50.2 48.6-147.3 8.0 53.4 28.0 70.8 113 121 A T S > S- 0 0 61 1,-0.1 4,-2.5 -3,-0.1 5,-0.1 -0.951 82.4-100.2-149.8 169.8 56.8 26.9 71.8 114 122 A L H > S+ 0 0 37 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.901 124.5 46.5 -55.6 -47.1 59.9 24.8 70.9 115 123 A E H > S+ 0 0 129 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.891 106.1 59.8 -62.7 -41.7 58.8 22.2 73.2 116 124 A D H > S+ 0 0 41 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.938 107.3 47.6 -47.3 -54.4 55.3 22.4 71.8 117 125 A L H >< S+ 0 0 2 -4,-2.5 3,-0.7 2,-0.2 -1,-0.2 0.920 109.6 49.1 -53.6 -56.7 56.6 21.5 68.5 118 126 A R H >< S+ 0 0 131 -4,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.924 109.3 56.0 -52.9 -48.3 58.8 18.6 69.6 119 127 A K H 3< S+ 0 0 155 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.831 119.0 32.4 -55.4 -32.6 55.8 17.3 71.5 120 128 A N T X< + 0 0 47 -4,-1.6 3,-2.0 -3,-0.7 -1,-0.3 -0.124 68.3 143.5-121.6 44.2 54.0 17.4 68.3 121 129 A E G X + 0 0 98 -3,-1.7 3,-2.0 1,-0.3 -1,-0.2 0.747 67.8 72.4 -49.2 -28.2 56.5 16.6 65.7 122 130 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.893 88.6 56.5 -58.6 -42.8 53.8 14.8 64.0 123 131 A K G < S+ 0 0 88 -3,-2.0 -1,-0.3 -6,-0.2 2,-0.3 0.461 98.4 85.5 -71.8 5.1 51.9 17.9 62.9 124 132 A L S < S- 0 0 7 -3,-2.0 2,-0.2 -4,-0.2 -26,-0.0 -0.732 73.1-129.5-106.7 156.4 55.1 19.1 61.2 125 133 A N > - 0 0 82 -2,-0.3 4,-4.1 1,-0.1 5,-0.3 -0.611 35.9 -92.9-100.0 166.7 56.4 18.3 57.7 126 134 A H H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 128.6 42.5 -39.6 -55.9 59.8 17.1 56.6 127 135 A H H > S+ 0 0 33 1,-0.2 4,-3.8 2,-0.2 -1,-0.2 0.967 117.1 45.5 -57.9 -56.4 60.9 20.7 56.0 128 136 A Q H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.812 113.0 54.2 -54.9 -33.5 59.4 22.0 59.2 129 137 A R H X S+ 0 0 97 -4,-4.1 4,-1.8 2,-0.2 -1,-0.2 0.838 112.6 39.5 -69.5 -41.3 60.8 18.9 60.9 130 138 A I H X S+ 0 0 9 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.972 112.3 59.4 -70.9 -48.2 64.3 19.6 59.8 131 139 A G H < S+ 0 0 1 -4,-3.8 3,-0.5 -35,-0.5 -2,-0.2 0.867 112.2 39.5 -40.6 -52.6 63.7 23.3 60.4 132 140 A L H >< S+ 0 0 11 -4,-2.4 3,-1.4 -36,-0.2 -1,-0.2 0.853 109.9 59.1 -67.4 -41.7 62.9 22.6 64.0 133 141 A K H 3< S+ 0 0 132 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.655 117.0 33.3 -61.2 -25.1 65.7 20.0 64.4 134 142 A Y T 3X S+ 0 0 17 -4,-1.6 4,-2.8 -3,-0.5 -1,-0.3 -0.174 80.1 134.0-124.4 33.0 68.4 22.6 63.5 135 143 A F H <> S+ 0 0 24 -3,-1.4 4,-0.7 2,-0.2 -2,-0.1 0.904 75.5 37.7 -49.0 -53.5 66.7 25.4 65.0 136 144 A G H >> S+ 0 0 37 -4,-0.2 3,-2.1 2,-0.2 4,-1.0 0.983 116.2 48.7 -62.0 -63.5 69.7 26.8 66.6 137 145 A D H >4 S+ 0 0 33 1,-0.3 3,-0.7 2,-0.2 -2,-0.2 0.820 109.0 55.7 -44.4 -46.3 72.3 26.0 64.0 138 146 A F H 3< S+ 0 0 46 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.767 105.3 52.8 -65.2 -24.1 70.1 27.6 61.4 139 147 A E H << S+ 0 0 102 -3,-2.1 2,-0.3 -4,-0.7 -1,-0.3 0.728 90.7 100.1 -81.5 -23.4 70.0 30.7 63.4 140 148 A K S << S- 0 0 108 -4,-1.0 -3,-0.0 -3,-0.7 -4,-0.0 -0.477 74.2-124.0 -70.3 121.3 73.8 30.8 63.6 141 149 A R - 0 0 152 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.201 27.2-114.6 -59.8 154.1 75.7 33.2 61.2 142 150 A I E -A 180 0A 0 38,-5.5 38,-1.4 4,-0.0 2,-0.2 -0.839 21.4-140.7-102.0 113.0 78.4 31.7 58.9 143 151 A P E >> -A 179 0A 38 0, 0.0 3,-3.5 0, 0.0 4,-1.9 -0.495 18.2-125.5 -71.7 131.0 82.1 32.7 59.5 144 152 A R H 3> S+ 0 0 65 34,-3.0 4,-2.3 1,-0.3 5,-0.2 0.786 108.4 64.9 -39.9 -40.2 84.1 33.2 56.3 145 153 A E H 3> S+ 0 0 118 33,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.734 107.6 40.6 -58.2 -28.7 86.7 30.8 57.6 146 154 A E H <> S+ 0 0 26 -3,-3.5 4,-2.5 2,-0.2 3,-0.4 0.871 109.3 60.3 -84.4 -45.3 84.1 28.1 57.4 147 155 A M H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.3 -2,-0.2 0.814 104.4 49.1 -45.2 -45.8 82.7 29.4 54.1 148 156 A L H X S+ 0 0 77 -4,-2.3 4,-2.0 2,-0.2 -1,-0.3 0.820 109.4 53.1 -67.6 -38.0 86.1 28.9 52.4 149 157 A Q H X S+ 0 0 60 -4,-0.6 4,-1.3 -3,-0.4 -2,-0.2 0.943 112.8 43.0 -62.8 -50.1 86.4 25.4 53.7 150 158 A M H X S+ 0 0 3 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.899 111.8 53.4 -59.5 -49.6 82.9 24.5 52.3 151 159 A Q H X S+ 0 0 58 -4,-2.6 4,-2.9 1,-0.3 5,-0.4 0.933 105.4 55.2 -53.1 -47.1 83.5 26.2 49.1 152 160 A D H X S+ 0 0 90 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.888 111.2 46.4 -56.8 -36.6 86.7 24.1 48.8 153 161 A I H X S+ 0 0 45 -4,-1.3 4,-2.1 2,-0.2 5,-0.3 0.987 111.5 47.1 -72.3 -51.3 84.6 21.1 49.2 154 162 A V H X S+ 0 0 4 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.916 114.4 47.7 -52.1 -50.5 81.8 22.0 46.8 155 163 A L H X S+ 0 0 57 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.869 108.7 53.5 -63.0 -39.2 84.1 22.9 44.1 156 164 A N H X S+ 0 0 81 -4,-1.5 4,-2.2 -5,-0.4 -1,-0.2 0.903 112.3 42.9 -66.4 -38.9 86.3 19.9 44.4 157 165 A E H X S+ 0 0 24 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.823 112.6 52.4 -75.7 -32.5 83.5 17.4 44.1 158 166 A V H X S+ 0 0 7 -4,-2.1 4,-1.5 -5,-0.3 7,-0.3 0.926 109.6 50.3 -68.6 -37.0 81.8 19.2 41.3 159 167 A K H >< S+ 0 0 129 -4,-1.9 3,-0.8 -5,-0.2 -2,-0.2 0.963 108.1 53.1 -61.1 -49.9 85.0 19.2 39.5 160 168 A K H 3< S+ 0 0 129 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.879 105.4 53.8 -51.1 -47.0 85.4 15.6 40.1 161 169 A V H 3< S- 0 0 48 -4,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.771 132.1 -9.4 -61.6 -30.7 82.0 14.9 38.6 162 170 A D X< - 0 0 49 -4,-1.5 3,-1.9 -3,-0.8 -1,-0.3 -0.752 51.8-143.6-170.3 119.8 82.6 16.7 35.4 163 171 A S T 3 S+ 0 0 87 1,-0.3 -3,-0.1 -2,-0.3 -4,-0.1 0.669 101.9 67.7 -58.9 -17.2 85.5 18.9 34.4 164 172 A E T 3 S+ 0 0 116 -6,-0.1 -1,-0.3 -5,-0.1 -5,-0.1 0.413 74.6 106.3 -79.8 -9.5 82.8 20.8 32.5 165 173 A Y < - 0 0 19 -3,-1.9 2,-0.3 -7,-0.3 24,-0.2 -0.330 52.2-157.8 -72.4 157.4 80.9 22.1 35.5 166 174 A I E -B 188 0B 58 22,-1.5 22,-0.8 -2,-0.0 2,-0.3 -0.828 14.2-179.3-138.4 94.0 81.0 25.8 36.6 167 175 A A E -B 187 0B 25 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.731 4.8-178.1-100.6 153.8 80.2 26.5 40.1 168 176 A T E -B 186 0B 28 18,-0.9 18,-3.3 -2,-0.3 2,-0.9 -0.990 20.8-143.6-144.0 130.7 80.1 29.9 41.7 169 177 A V E -B 185 0B 10 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.861 31.4-174.4-103.5 107.6 79.3 30.6 45.3 170 178 A C E +B 184 0B 2 14,-1.7 14,-0.5 -2,-0.9 3,-0.3 -0.063 31.5 71.6 -84.7-171.3 77.5 33.9 45.2 171 179 A G S >> S- 0 0 17 1,-0.2 3,-1.4 2,-0.2 4,-1.0 -0.381 104.8 -40.5 94.9-171.9 76.2 36.2 47.9 172 180 A S T 34>S+ 0 0 31 1,-0.3 5,-1.0 2,-0.2 4,-0.2 0.680 132.6 69.8 -56.6 -25.9 78.0 38.6 50.3 173 181 A F T 345S+ 0 0 12 -3,-0.3 3,-0.4 1,-0.2 -1,-0.3 0.896 103.4 41.3 -54.9 -46.0 80.5 35.8 50.6 174 182 A R T <45S+ 0 0 47 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.745 111.3 56.5 -67.6 -38.1 81.4 36.7 47.0 175 183 A R T <5S- 0 0 73 -4,-1.0 -1,-0.2 90,-0.1 -2,-0.2 0.416 124.9-107.2 -77.7 -4.6 81.2 40.3 47.9 176 184 A G T 5 + 0 0 34 -3,-0.4 -3,-0.2 -4,-0.2 -4,-0.1 -0.068 58.1 166.8 104.1 -35.2 83.7 39.6 50.6 177 185 A A < - 0 0 37 -5,-1.0 -1,-0.2 1,-0.1 146,-0.0 0.351 41.7-127.2 -17.6 139.1 81.6 39.7 53.8 178 186 A E S S+ 0 0 142 -35,-0.1 -34,-3.0 -34,-0.1 2,-0.3 0.650 89.4 13.3 -69.6 -23.0 83.1 38.4 57.0 179 187 A S E -A 143 0A 34 -36,-0.3 2,-0.3 -35,-0.1 -38,-0.0 -0.883 68.8-159.4-144.5 175.0 80.2 36.1 57.7 180 188 A S E -A 142 0A 3 -38,-1.4 -38,-5.5 -2,-0.3 3,-0.1 -0.946 22.5-132.1-154.0 171.7 77.2 34.8 55.9 181 189 A G S S- 0 0 32 -2,-0.3 65,-0.3 1,-0.3 2,-0.3 0.910 81.9 -8.2 -88.3 -59.5 73.8 33.4 56.4 182 190 A D S S- 0 0 93 63,-0.1 2,-0.7 -40,-0.1 -1,-0.3 -0.948 72.1 -96.7-140.9 157.0 73.7 30.4 54.1 183 191 A M E - c 0 247B 2 63,-1.7 65,-2.4 -2,-0.3 2,-0.7 -0.693 38.1-171.3 -82.8 116.0 75.8 28.8 51.3 184 192 A D E -Bc 170 248B 29 -2,-0.7 -14,-1.7 -14,-0.5 2,-0.6 -0.816 2.8-172.0-104.6 95.5 74.4 29.9 47.9 185 193 A V E -Bc 169 249B 2 63,-2.3 65,-1.9 -2,-0.7 2,-0.7 -0.729 13.0-150.3-101.0 126.7 75.9 28.0 44.9 186 194 A L E -Bc 168 250B 4 -18,-3.3 -18,-0.9 -2,-0.6 2,-0.5 -0.714 22.5-162.5 -89.3 114.5 75.2 29.0 41.2 187 195 A L E +Bc 167 251B 2 63,-2.9 65,-1.8 -2,-0.7 2,-0.3 -0.875 19.1 145.6-115.1 135.5 75.4 26.0 38.9 188 196 A T E -Bc 166 252B 0 -22,-0.8 -22,-1.5 -2,-0.5 3,-0.1 -0.861 20.6-158.8-146.1 175.8 75.8 25.5 35.1 189 197 A H E > - c 0 253B 11 63,-0.6 3,-1.2 3,-0.4 65,-1.0 -0.969 29.9-122.0-158.4 151.7 77.1 23.3 32.3 190 198 A P T 3 S+ 0 0 63 0, 0.0 2,-0.7 0, 0.0 65,-0.1 0.967 113.7 58.9 -59.2 -54.3 78.1 23.7 28.7 191 199 A S T 3 S+ 0 0 70 1,-0.1 2,-0.3 -3,-0.1 11,-0.1 0.069 100.0 75.9 -63.3 20.8 75.7 21.0 27.7 192 200 A F < + 0 0 16 -3,-1.2 62,-4.2 -2,-0.7 63,-0.4 -0.883 59.9 121.9-149.3 114.4 72.8 23.1 29.3 193 201 A T - 0 0 32 60,-0.4 5,-0.1 -2,-0.3 -2,-0.0 -0.989 62.7 -56.1-164.0 173.1 71.1 26.0 28.1 194 202 A S S S+ 0 0 64 -2,-0.3 -1,-0.0 1,-0.3 62,-0.0 0.546 128.6 15.6 -11.4 -63.2 68.2 28.1 26.9 195 203 A E S S+ 0 0 166 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.866 97.5 112.6 -89.1 -44.8 66.9 25.9 24.2 196 204 A S S S- 0 0 40 1,-0.2 2,-0.8 3,-0.0 -3,-0.1 0.038 73.8-127.3 -35.7 100.2 68.7 22.8 25.3 197 205 A T - 0 0 131 -5,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.432 47.8 -70.2 -68.0 108.8 66.0 20.7 26.4 198 206 A K - 0 0 86 -2,-0.8 -1,-0.1 1,-0.1 -5,-0.1 0.687 33.4-171.7 29.4 172.4 66.7 19.5 29.8 199 207 A Q > - 0 0 73 25,-0.2 3,-1.0 -7,-0.0 4,-0.3 -0.225 6.6-177.4 166.8 83.4 69.0 17.2 31.5 200 208 A P T >> S+ 0 0 43 0, 0.0 4,-2.1 0, 0.0 3,-1.3 0.731 79.5 71.8 -67.5 -25.0 68.0 16.9 35.2 201 209 A K H 3> S+ 0 0 113 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.839 81.5 76.1 -59.9 -29.8 70.9 14.7 35.8 202 210 A L H <4 S+ 0 0 3 -3,-1.0 4,-0.3 1,-0.2 -1,-0.3 0.845 108.0 28.1 -47.4 -42.9 72.9 17.9 35.5 203 211 A L H <> S+ 0 0 0 -3,-1.3 4,-1.4 -4,-0.3 3,-0.3 0.820 120.5 53.4 -88.7 -39.3 71.7 18.9 38.9 204 212 A H H X S+ 0 0 41 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.943 96.4 64.2 -60.8 -53.5 71.2 15.5 40.5 205 213 A Q H X S+ 0 0 68 -4,-2.5 4,-1.3 1,-0.3 -1,-0.2 0.810 107.9 42.6 -40.6 -44.5 74.6 14.0 39.8 206 214 A V H > S+ 0 0 1 -5,-0.4 4,-2.5 -4,-0.3 5,-0.4 0.907 105.5 60.7 -73.0 -42.5 76.2 16.5 42.0 207 215 A V H X S+ 0 0 0 -4,-1.4 4,-1.4 1,-0.3 -2,-0.2 0.899 106.5 51.0 -50.2 -42.3 73.7 16.4 44.8 208 216 A E H X S+ 0 0 104 -4,-2.3 4,-2.3 2,-0.2 -1,-0.3 0.890 107.2 50.6 -62.5 -46.9 74.6 12.9 45.1 209 217 A Q H >X S+ 0 0 35 -4,-1.3 4,-1.4 2,-0.2 3,-1.1 0.990 109.4 49.2 -57.3 -60.4 78.3 13.5 45.3 210 218 A L H 3<>S+ 0 0 2 -4,-2.5 6,-1.9 1,-0.3 5,-1.7 0.816 116.8 45.9 -48.4 -32.1 78.0 16.1 48.0 211 219 A Q H ><5S+ 0 0 66 -4,-1.4 3,-1.0 -5,-0.4 -1,-0.3 0.818 106.0 60.1 -81.7 -29.7 75.9 13.5 49.8 212 220 A K H <<5S+ 0 0 142 -4,-2.3 2,-0.4 -3,-1.1 -2,-0.2 0.981 110.3 39.5 -56.1 -76.6 78.3 10.7 49.1 213 221 A V T 3<5S- 0 0 60 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.251 120.4-110.5 -56.9 8.8 81.1 12.2 50.9 214 222 A H T < 5S+ 0 0 143 -3,-1.0 18,-0.3 -2,-0.4 -3,-0.2 0.537 81.5 123.5 71.5 10.9 78.6 13.5 53.7 215 223 A F S -c 189 0B 15 0, 0.0 3,-3.1 0, 0.0 4,-0.4 -0.594 31.2-125.0 -74.0 132.3 71.7 27.1 31.4 254 262 A K G > S+ 0 0 66 -62,-4.2 3,-0.9 -65,-1.0 4,-0.3 0.811 109.8 66.9 -47.3 -35.5 75.2 28.2 30.4 255 263 A D G 3 S+ 0 0 77 -63,-0.4 -1,-0.3 1,-0.2 50,-0.2 0.438 108.7 41.2 -69.0 6.3 73.8 30.7 28.1 256 264 A Q G X> S+ 0 0 39 -3,-3.1 4,-1.1 33,-0.1 3,-0.6 0.480 80.4 106.1-132.9 0.3 72.6 32.4 31.3 257 265 A Y H X> S+ 0 0 4 -3,-0.9 4,-3.2 -4,-0.4 3,-1.2 0.918 76.9 44.4 -42.7 -78.8 75.3 32.3 34.0 258 266 A Y H 3> S+ 0 0 36 -4,-0.3 4,-1.4 1,-0.3 -1,-0.2 0.613 106.2 62.9 -53.0 -17.1 76.9 35.7 34.4 259 267 A C H <> S+ 0 0 10 -3,-0.6 4,-1.6 29,-0.3 -1,-0.3 0.896 114.5 32.4 -76.4 -41.4 73.6 37.5 34.4 260 268 A G H < S+ 0 0 8 -4,-1.4 3,-0.8 -5,-0.3 4,-0.3 1.000 116.8 46.2 -59.0 -65.8 76.1 39.2 38.6 263 271 A Y H >< S+ 0 0 63 -4,-1.6 3,-1.5 1,-0.3 -2,-0.2 0.765 108.2 49.9 -39.8 -62.2 72.7 39.6 40.1 264 272 A F H 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