==== 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 7ICI . 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) . 17827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 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 . 4 1.2 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 2 1 2 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 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 9 A E 0 0 220 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -6.4 67.2 58.1 57.0 2 10 A T + 0 0 120 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.108 360.0 81.2-177.7 -6.5 67.0 59.2 60.7 3 11 A L S S+ 0 0 61 1,-0.1 42,-0.2 36,-0.1 3,-0.1 0.867 113.8 16.0 -84.3 -31.1 64.9 62.1 60.5 4 12 A N S > S+ 0 0 9 35,-0.1 4,-2.4 1,-0.1 5,-0.2 0.132 90.7 126.3-127.8 25.5 61.7 60.2 60.4 5 13 A G H > + 0 0 21 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.819 69.6 49.3 -48.2 -54.1 63.1 56.8 61.6 6 14 A G H > S+ 0 0 36 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.958 113.0 49.8 -57.8 -48.6 60.8 56.1 64.5 7 15 A I H > S+ 0 0 8 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.910 111.8 47.2 -56.9 -45.4 57.8 56.8 62.4 8 16 A T H X S+ 0 0 21 -4,-2.4 4,-1.7 1,-0.2 -1,-0.3 0.859 115.2 47.5 -68.0 -30.5 59.1 54.6 59.8 9 17 A D H X S+ 0 0 96 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.964 108.3 50.0 -73.1 -46.3 59.8 52.0 62.3 10 18 A M H X S+ 0 0 4 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.900 112.6 51.0 -53.8 -44.5 56.6 52.0 64.2 11 19 A L H X S+ 0 0 1 -4,-2.0 4,-3.5 -5,-0.3 -1,-0.2 0.858 107.6 51.9 -60.4 -43.3 54.8 51.7 60.7 12 20 A T H X S+ 0 0 64 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.942 109.6 50.2 -62.7 -41.9 57.0 48.8 59.8 13 21 A E H X S+ 0 0 73 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.916 114.9 44.0 -57.3 -45.9 56.0 47.1 63.2 14 22 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.916 112.9 50.2 -64.2 -48.9 52.4 47.7 62.4 15 23 A A H X S+ 0 0 4 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.949 110.6 51.8 -56.1 -50.0 52.6 46.6 58.8 16 24 A N H X S+ 0 0 83 -4,-3.0 4,-2.4 1,-0.3 5,-0.2 0.911 109.1 48.8 -52.3 -52.0 54.3 43.5 59.9 17 25 A F H X>S+ 0 0 36 -4,-2.3 4,-2.3 -5,-0.2 5,-1.3 0.883 103.5 59.3 -59.6 -40.5 51.7 42.7 62.3 18 26 A E H <5S+ 0 0 8 -4,-2.4 6,-0.8 1,-0.2 -1,-0.2 0.939 114.9 36.6 -51.6 -51.2 48.8 43.2 60.0 19 27 A K H <5S+ 0 0 86 -4,-1.6 -1,-0.2 5,-0.2 -2,-0.2 0.878 121.8 41.7 -67.7 -48.6 50.1 40.6 57.7 20 28 A N H <5S+ 0 0 23 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.867 129.5 19.9 -69.2 -47.9 51.6 38.0 60.2 21 29 A V T <5S+ 0 0 30 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.896 131.1 32.4 -90.3 -67.4 49.0 37.9 62.8 22 30 A S S + 0 0 24 -6,-0.8 4,-4.6 1,-0.2 5,-0.3 -0.141 8.6 158.4 -51.1 65.4 45.4 42.2 56.7 25 33 A I H > S+ 0 0 89 -2,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.877 77.7 54.2 -58.2 -35.2 47.5 42.2 53.5 26 34 A H H > S+ 0 0 155 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.981 116.1 34.8 -59.8 -56.5 45.6 45.3 52.6 27 35 A K H > S+ 0 0 110 2,-0.3 4,-2.3 1,-0.2 5,-0.3 0.860 116.5 56.7 -61.8 -47.7 46.5 47.1 55.7 28 36 A Y H X S+ 0 0 30 -4,-4.6 4,-1.5 1,-0.3 -1,-0.2 0.952 109.5 43.9 -53.2 -52.2 49.8 45.5 55.8 29 37 A N H X S+ 0 0 73 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.3 0.813 107.9 64.6 -62.0 -29.8 50.5 46.8 52.4 30 38 A A H >X S+ 0 0 30 -4,-1.1 4,-1.8 1,-0.2 3,-0.7 0.983 100.4 46.9 -58.3 -60.5 49.1 50.1 53.6 31 39 A Y H 3X S+ 0 0 13 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.800 107.8 62.6 -51.1 -34.5 51.8 50.7 56.3 32 40 A R H 3X S+ 0 0 141 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.897 103.7 40.4 -62.6 -45.9 54.4 49.8 53.7 33 41 A K H X S+ 0 0 32 -4,-3.3 4,-1.9 2,-0.2 3,-0.6 0.919 114.2 46.0 -70.5 -44.8 57.1 57.6 51.5 38 46 A I H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.690 106.5 67.4 -69.0 -18.5 57.8 59.1 54.9 39 47 A A H 3< S+ 0 0 47 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.857 106.0 36.8 -66.7 -39.6 61.1 57.4 54.4 40 48 A K H << S+ 0 0 173 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.838 88.0 121.0 -81.5 -36.0 62.0 59.6 51.5 41 49 A Y < - 0 0 40 -4,-1.9 4,-0.1 1,-0.2 -38,-0.1 -0.086 56.5-147.7 -43.7 113.3 60.5 62.7 53.0 42 50 A P + 0 0 83 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.272 66.7 61.9 -63.0 -6.3 63.1 65.3 53.3 43 51 A H S S- 0 0 112 -39,-0.0 2,-0.8 -40,-0.0 -40,-0.0 -0.633 90.4 -89.1-123.7-174.2 61.9 67.1 56.4 44 52 A K - 0 0 124 -2,-0.2 2,-0.7 -40,-0.0 -40,-0.1 -0.837 41.8-132.1 -94.1 112.3 61.2 66.5 60.1 45 53 A I + 0 0 6 -2,-0.8 3,-0.1 -42,-0.2 -38,-0.1 -0.459 29.8 177.1 -64.8 109.6 57.7 65.3 60.4 46 54 A K + 0 0 151 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.513 56.0 1.5 -96.0 1.0 56.4 67.5 63.1 47 55 A S > - 0 0 38 1,-0.2 4,-1.4 22,-0.0 -1,-0.2 -0.999 69.1 -96.5-172.9 170.6 52.8 66.3 63.0 48 56 A G H >> S+ 0 0 0 -2,-0.3 3,-2.3 1,-0.2 4,-2.3 0.991 116.9 46.9 -55.6 -71.2 50.0 64.2 61.8 49 57 A A H 3> S+ 0 0 63 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.776 107.3 59.1 -43.6 -36.5 48.5 66.6 59.4 50 58 A E H 34 S+ 0 0 41 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.879 111.7 41.6 -64.0 -36.0 51.9 67.3 58.0 51 59 A A H X< S+ 0 0 0 -3,-2.3 3,-4.9 -4,-1.4 -2,-0.2 0.940 103.2 63.4 -72.8 -50.4 52.2 63.7 57.2 52 60 A K H 3< S+ 0 0 93 -4,-2.3 5,-0.2 1,-0.3 -1,-0.2 0.768 89.3 75.3 -41.9 -35.2 48.7 63.2 55.9 53 61 A K T 3< S+ 0 0 163 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.733 85.0 79.7 -53.6 -27.7 49.7 65.6 53.3 54 62 A L S X S- 0 0 36 -3,-4.9 3,-0.6 -4,-0.1 2,-0.3 -0.347 93.5-100.3 -81.6 169.3 51.7 62.9 51.8 55 63 A P T 3 S+ 0 0 98 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.614 110.3 32.0 -84.7 146.1 50.3 60.1 49.6 56 64 A G T 3 S+ 0 0 25 -2,-0.3 2,-1.1 1,-0.2 -22,-0.2 0.203 97.9 115.0 90.0 -17.4 49.7 56.8 51.3 57 65 A V < + 0 0 10 -3,-0.6 -1,-0.2 -5,-0.2 2,-0.1 -0.718 41.4 165.4 -98.0 103.1 49.0 58.9 54.2 58 66 A G > - 0 0 28 -2,-1.1 4,-1.9 -3,-0.1 3,-0.1 -0.289 51.1 -85.6 -98.4-173.9 45.6 58.7 55.4 59 67 A T H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.807 119.1 52.6 -61.8 -42.2 43.7 59.7 58.4 60 68 A K H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.785 112.0 43.1 -69.8 -34.7 44.4 56.6 60.4 61 69 A I H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.859 110.9 56.3 -77.0 -39.9 48.0 56.7 60.1 62 70 A A H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.948 105.3 53.5 -54.2 -47.5 48.0 60.3 60.6 63 71 A E H X S+ 0 0 126 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.891 110.0 48.9 -48.8 -48.3 46.2 59.5 63.9 64 72 A K H X S+ 0 0 35 -4,-1.3 4,-2.3 2,-0.2 5,-0.3 0.926 106.8 51.2 -62.6 -52.6 49.0 57.2 64.8 65 73 A I H X S+ 0 0 0 -4,-3.0 4,-3.5 1,-0.2 5,-0.3 0.887 106.0 60.1 -56.7 -37.3 51.9 59.5 64.0 66 74 A D H X S+ 0 0 72 -4,-2.4 4,-4.6 -5,-0.3 -1,-0.2 0.926 107.7 41.3 -53.7 -51.5 50.2 61.9 66.2 67 75 A E H X S+ 0 0 71 -4,-1.5 4,-3.7 -3,-0.3 6,-0.5 0.838 116.7 48.5 -62.4 -46.8 50.2 59.7 69.4 68 76 A F H < S+ 0 0 53 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.912 117.3 41.3 -66.7 -43.7 53.6 58.5 68.7 69 77 A L H < S+ 0 0 58 -4,-3.5 -2,-0.2 -5,-0.3 -3,-0.2 0.986 117.7 48.2 -68.2 -49.7 54.8 62.1 68.2 70 78 A A H < S+ 0 0 86 -4,-4.6 2,-0.3 -5,-0.3 -2,-0.2 0.890 128.8 15.5 -52.1 -46.5 52.7 63.3 71.1 71 79 A T S < S- 0 0 70 -4,-3.7 2,-0.6 2,-0.4 -1,-0.1 -0.946 87.6-105.2-128.6 151.1 54.0 60.4 73.5 72 80 A G S S+ 0 0 72 -2,-0.3 2,-0.3 2,-0.0 -4,-0.1 0.273 96.6 30.2 -62.2 17.9 57.0 58.1 73.1 73 81 A K S S- 0 0 86 -2,-0.6 -2,-0.4 -6,-0.5 2,-0.4 -0.941 71.7-117.5-159.9-178.5 54.9 55.2 72.2 74 82 A L > - 0 0 1 -2,-0.3 4,-2.9 1,-0.1 5,-0.1 -0.991 17.3-141.1-129.8 131.6 51.7 53.8 70.7 75 83 A R H > S+ 0 0 186 -2,-0.4 4,-3.9 1,-0.2 5,-0.2 0.982 105.1 50.1 -59.4 -52.4 49.0 51.9 72.6 76 84 A K H > S+ 0 0 75 1,-0.3 4,-2.6 2,-0.3 5,-0.2 0.880 112.1 47.6 -51.0 -43.4 48.4 49.5 69.8 77 85 A L H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.958 114.2 48.3 -65.3 -44.3 52.1 48.8 69.5 78 86 A E H < S+ 0 0 76 -4,-2.9 4,-0.4 1,-0.2 -2,-0.3 0.932 112.0 47.5 -60.4 -43.0 52.1 48.4 73.2 79 87 A K H >X S+ 0 0 137 -4,-3.9 4,-1.6 1,-0.2 3,-1.0 0.930 114.1 46.4 -63.0 -48.2 49.2 46.1 73.2 80 88 A I H 3< S+ 0 0 20 -4,-2.6 7,-0.2 1,-0.2 -2,-0.2 0.891 103.5 62.1 -60.7 -46.0 50.5 43.8 70.3 81 89 A R T 3< S+ 0 0 131 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.621 113.2 38.6 -57.4 -15.4 54.1 43.5 71.8 82 90 A Q T <4 S+ 0 0 138 -3,-1.0 -2,-0.2 -4,-0.4 5,-0.2 0.900 84.0 105.8 -92.8 -70.5 52.5 41.8 74.8 83 91 A D X - 0 0 69 -4,-1.6 4,-2.2 1,-0.1 3,-0.4 0.257 62.6-145.6 -18.0 106.5 49.8 39.6 73.5 84 92 A D H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.864 94.1 58.1 -55.3 -37.8 51.1 36.2 73.7 85 93 A T H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 107.0 46.5 -57.9 -45.9 49.3 35.1 70.6 86 94 A S H > S+ 0 0 5 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.958 111.9 52.3 -60.3 -47.5 51.0 37.6 68.5 87 95 A S H X S+ 0 0 49 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.803 106.0 54.7 -57.6 -35.0 54.3 36.8 70.1 88 96 A S H X S+ 0 0 12 -4,-2.3 4,-3.1 1,-0.2 3,-0.4 0.924 104.6 52.8 -65.6 -43.0 53.9 33.1 69.3 89 97 A I H X S+ 0 0 5 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.812 107.8 50.5 -62.6 -32.4 53.3 33.7 65.8 90 98 A N H < S+ 0 0 67 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.786 115.3 45.0 -76.5 -23.1 56.5 35.7 65.4 91 99 A F H >< S+ 0 0 59 -4,-1.2 3,-2.2 -3,-0.4 4,-0.3 0.874 107.3 51.3 -81.2 -54.8 58.4 33.1 67.1 92 100 A L H >< S+ 0 0 0 -4,-3.1 3,-2.8 1,-0.3 6,-0.3 0.909 101.8 66.1 -54.8 -39.2 57.2 29.9 65.4 93 101 A T T 3< S+ 0 0 43 -4,-1.0 -1,-0.3 -5,-0.4 4,-0.2 0.724 83.7 75.1 -54.6 -22.3 57.9 31.5 62.1 94 102 A R T < S+ 0 0 108 -3,-2.2 2,-0.3 2,-0.1 -1,-0.3 0.716 76.4 94.6 -66.5 -19.8 61.6 31.4 63.1 95 103 A V S X S- 0 0 2 -3,-2.8 3,-1.8 -4,-0.3 2,-0.4 -0.599 90.1-116.0 -75.2 133.5 61.5 27.9 62.3 96 104 A S T 3 S+ 0 0 41 -2,-0.3 35,-0.3 1,-0.3 36,-0.2 -0.596 105.3 28.9 -68.7 122.9 62.5 27.1 58.7 97 105 A G T 3 S+ 0 0 30 -2,-0.4 2,-0.6 1,-0.3 -1,-0.3 0.044 95.5 96.2 116.6 -28.4 59.4 25.7 57.3 98 106 A I < + 0 0 7 -3,-1.8 -1,-0.3 -6,-0.3 26,-0.0 -0.888 48.6 179.4-100.6 124.2 56.8 27.5 59.3 99 107 A G > - 0 0 34 -2,-0.6 4,-1.9 -3,-0.1 -4,-0.1 -0.286 49.6 -85.7-103.5-165.4 55.4 30.5 57.6 100 108 A P H > S+ 0 0 44 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.852 125.8 60.2 -74.5 -35.7 52.7 32.6 59.2 101 109 A S H > S+ 0 0 90 2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.968 111.2 39.7 -52.8 -59.3 49.9 30.6 57.8 102 110 A A H > S+ 0 0 16 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.865 109.4 60.9 -56.1 -46.8 51.2 27.6 59.7 103 111 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.882 104.2 50.9 -52.0 -43.3 52.1 29.6 62.7 104 112 A R H X S+ 0 0 49 -4,-2.9 4,-2.3 -3,-0.4 3,-0.3 0.980 109.5 48.7 -60.8 -54.0 48.5 30.5 63.1 105 113 A K H >< S+ 0 0 91 -4,-1.5 3,-0.6 1,-0.3 4,-0.2 0.943 111.7 49.0 -47.2 -60.7 47.2 26.9 62.9 106 114 A F H ><>S+ 0 0 0 -4,-2.7 5,-3.6 1,-0.3 3,-1.2 0.840 111.6 49.8 -50.2 -40.0 49.7 25.7 65.4 107 115 A V H ><5S+ 0 0 6 -4,-1.8 3,-0.9 -5,-0.3 -1,-0.3 0.862 106.2 53.9 -70.7 -33.3 48.9 28.4 67.8 108 116 A D T <<5S+ 0 0 121 -4,-2.3 -1,-0.3 -3,-0.6 -2,-0.2 0.439 109.2 50.7 -78.3 1.3 45.3 27.9 67.6 109 117 A E T < 5S- 0 0 111 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.343 125.2-103.5-114.3 -0.0 46.1 24.4 68.5 110 118 A G T < 5S+ 0 0 39 -3,-0.9 2,-0.8 1,-0.3 -3,-0.2 0.487 77.4 133.9 96.4 0.9 48.1 25.4 71.4 111 119 A I < + 0 0 5 -5,-3.6 -1,-0.3 -6,-0.2 -2,-0.2 -0.778 15.5 142.7 -86.5 117.4 51.6 24.9 70.0 112 120 A K + 0 0 65 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.445 51.1 46.0-132.4 -7.9 53.4 27.9 70.9 113 121 A T S > S- 0 0 60 -3,-0.2 4,-2.8 1,-0.1 5,-0.1 -0.808 82.8-100.4-134.6 178.3 56.8 26.9 71.8 114 122 A L H > S+ 0 0 34 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.932 123.7 46.5 -60.0 -45.4 59.8 24.9 70.8 115 123 A E H > S+ 0 0 134 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.927 107.6 58.4 -62.5 -42.2 59.0 22.2 73.2 116 124 A D H > S+ 0 0 45 1,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.934 106.8 49.4 -48.2 -52.6 55.4 22.3 72.0 117 125 A L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 -1,-0.3 0.913 106.9 51.7 -56.0 -51.7 56.7 21.6 68.6 118 126 A R H >< S+ 0 0 130 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.919 107.3 55.6 -51.1 -48.2 58.9 18.5 69.6 119 127 A K H 3< S+ 0 0 160 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.713 116.4 38.5 -56.1 -23.6 55.8 17.0 71.4 120 128 A N T XX + 0 0 45 -3,-1.4 3,-1.6 -4,-0.9 4,-0.5 -0.056 66.4 136.5-124.8 41.4 54.1 17.3 68.2 121 129 A E G X4 + 0 0 93 -3,-1.9 3,-0.7 1,-0.3 -1,-0.1 0.698 67.5 73.6 -57.5 -16.6 56.6 16.4 65.6 122 130 A D G 34 S+ 0 0 113 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.938 92.7 51.3 -64.4 -42.2 53.9 14.5 64.0 123 131 A K G <4 S+ 0 0 94 -3,-1.6 2,-0.3 -6,-0.2 -1,-0.2 0.546 95.9 85.3 -71.2 -7.8 52.1 17.6 62.8 124 132 A L S << S- 0 0 4 -3,-0.7 2,-0.1 -4,-0.5 -26,-0.0 -0.760 73.7-133.7 -96.3 148.6 55.1 19.0 61.2 125 133 A N > - 0 0 77 -2,-0.3 4,-1.5 -28,-0.1 5,-0.2 -0.239 37.6 -85.6 -86.8-179.9 56.2 18.1 57.6 126 134 A H H >> S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 3,-0.8 0.921 126.9 44.2 -52.0 -57.7 59.7 17.2 56.5 127 135 A H H 3> S+ 0 0 43 1,-0.3 4,-2.9 2,-0.2 3,-0.3 0.967 115.5 51.0 -51.1 -57.0 61.1 20.7 55.9 128 136 A Q H 3> S+ 0 0 15 1,-0.3 4,-1.9 -31,-0.3 -1,-0.3 0.730 109.7 51.7 -51.8 -26.9 59.5 21.8 59.1 129 137 A R H < S+ 0 0 10 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.837 110.8 56.7 -65.0 -33.1 63.0 22.2 64.2 133 141 A K H 3< S+ 0 0 135 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.958 117.6 31.2 -64.1 -51.2 65.9 19.9 64.4 134 142 A Y T 3X S+ 0 0 17 -4,-2.8 4,-3.3 1,-0.2 -1,-0.2 -0.021 75.9 131.6 -99.5 34.2 68.4 22.5 63.5 135 143 A F H <> S+ 0 0 23 -3,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.880 80.1 40.4 -48.3 -49.0 66.8 25.7 65.0 136 144 A G H >> S+ 0 0 38 -3,-0.3 3,-2.8 2,-0.2 4,-0.8 0.995 117.2 45.5 -61.8 -72.5 70.0 26.8 66.7 137 145 A D H >4 S+ 0 0 32 1,-0.3 3,-1.3 2,-0.2 -2,-0.2 0.833 112.2 57.8 -37.5 -47.9 72.5 25.9 63.9 138 146 A F H 3< S+ 0 0 39 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.793 103.9 47.5 -57.8 -35.4 70.1 27.5 61.6 139 147 A E H << S+ 0 0 103 -3,-2.8 -1,-0.3 -4,-1.1 2,-0.2 0.596 91.7 103.2 -83.4 -10.6 70.1 30.8 63.3 140 148 A K S << S- 0 0 106 -3,-1.3 -4,-0.0 -4,-0.8 -3,-0.0 -0.511 72.6-123.2 -74.1 132.0 74.0 30.9 63.5 141 149 A R - 0 0 153 -2,-0.2 40,-0.2 1,-0.1 -1,-0.1 -0.147 24.3-118.6 -66.4 172.5 75.8 33.1 61.2 142 150 A I E -A 180 0A 0 38,-4.0 38,-3.4 40,-0.1 2,-0.2 -0.936 21.3-142.6-117.3 111.5 78.4 31.5 59.0 143 151 A P E >> -A 179 0A 40 0, 0.0 3,-2.6 0, 0.0 4,-2.0 -0.460 16.2-127.1 -72.1 137.6 82.0 32.7 59.4 144 152 A R H 3> S+ 0 0 62 34,-3.3 4,-2.7 1,-0.3 5,-0.3 0.821 107.6 68.9 -53.2 -33.6 84.1 33.1 56.2 145 153 A E H 34 S+ 0 0 127 33,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.748 111.1 35.1 -55.3 -26.0 86.8 31.0 57.7 146 154 A E H <> S+ 0 0 26 -3,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.797 111.4 60.3 -89.2 -45.0 84.2 28.1 57.4 147 155 A M H X S+ 0 0 2 -4,-2.0 4,-3.7 1,-0.2 5,-0.2 0.879 103.2 53.2 -47.0 -51.3 82.6 29.3 54.2 148 156 A L H X S+ 0 0 78 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.849 110.0 47.9 -54.7 -44.6 86.2 29.0 52.5 149 157 A Q H > S+ 0 0 67 -4,-0.4 4,-1.6 -5,-0.3 -2,-0.2 0.903 114.1 46.3 -65.7 -43.3 86.4 25.3 53.7 150 158 A M H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.941 112.7 49.9 -61.3 -50.0 82.8 24.6 52.4 151 159 A Q H X S+ 0 0 55 -4,-3.7 4,-2.0 1,-0.2 5,-0.3 0.874 106.5 57.4 -56.1 -39.1 83.6 26.3 49.2 152 160 A D H X S+ 0 0 89 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.907 110.6 42.3 -60.9 -42.9 86.7 24.2 49.0 153 161 A I H X S+ 0 0 38 -4,-1.6 4,-2.3 -3,-0.2 5,-0.3 0.975 112.8 48.6 -70.0 -55.9 84.7 21.0 49.2 154 162 A V H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.925 112.1 49.6 -50.8 -52.1 81.9 21.7 46.9 155 163 A L H X S+ 0 0 55 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.863 110.6 50.0 -58.3 -39.5 84.1 23.0 44.1 156 164 A N H X S+ 0 0 84 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.885 112.0 46.6 -68.4 -39.0 86.4 20.0 44.3 157 165 A E H X S+ 0 0 25 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.882 109.5 52.2 -71.4 -38.1 83.6 17.5 44.1 158 166 A V H X S+ 0 0 7 -4,-2.3 4,-2.0 -5,-0.3 7,-0.3 0.919 108.7 56.0 -61.3 -38.0 81.8 19.2 41.3 159 167 A K H < S+ 0 0 134 -4,-1.6 -2,-0.2 -5,-0.3 3,-0.2 0.952 106.2 48.3 -56.7 -54.9 85.2 19.0 39.6 160 168 A K H < S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.939 109.3 49.5 -56.0 -53.2 85.4 15.3 40.0 161 169 A V H < S- 0 0 50 -4,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.825 133.1 -0.6 -57.0 -33.1 82.0 14.4 38.7 162 170 A D >< - 0 0 49 -4,-2.0 3,-1.0 -3,-0.2 -1,-0.2 -0.898 52.0-154.5-160.5 129.5 82.5 16.6 35.6 163 171 A S T 3 S+ 0 0 85 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.691 98.4 62.4 -74.2 -21.1 85.4 18.8 34.4 164 172 A E T 3 S+ 0 0 111 -6,-0.1 -1,-0.2 -3,-0.1 2,-0.1 0.353 78.2 108.1 -83.4 -3.1 82.9 20.8 32.5 165 173 A Y < - 0 0 18 -3,-1.0 2,-0.4 -7,-0.3 24,-0.2 -0.476 53.3-154.6 -77.4 156.5 80.8 22.0 35.5 166 174 A I E +B 188 0B 51 22,-2.0 22,-1.5 -2,-0.1 2,-0.4 -0.954 15.2 178.4-134.7 110.4 81.0 25.6 36.6 167 175 A A E +B 187 0B 20 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.896 3.9 179.7-116.3 147.1 80.2 26.4 40.1 168 176 A T E -B 186 0B 30 18,-1.5 18,-2.7 -2,-0.4 2,-0.7 -0.993 23.3-137.9-145.3 134.8 80.3 29.8 41.7 169 177 A V E +B 185 0B 7 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.862 31.9 178.9 -98.9 113.2 79.5 30.8 45.3 170 178 A C + 0 0 2 14,-2.0 3,-0.5 -2,-0.7 4,-0.4 0.154 32.9 77.2 -89.8-150.5 77.6 34.0 45.2 171 179 A G S >> S- 0 0 23 93,-0.6 4,-0.8 1,-0.2 3,-0.6 -0.307 107.9 -45.8 78.6-165.7 76.1 36.0 48.0 172 180 A S T 34 S+ 0 0 26 1,-0.2 5,-0.3 2,-0.2 -1,-0.2 0.643 130.6 74.9 -76.1 -17.9 78.1 38.3 50.2 173 181 A F T >4 S+ 0 0 11 -3,-0.5 3,-0.5 1,-0.2 -1,-0.2 0.888 101.3 43.4 -57.6 -35.5 80.6 35.6 50.5 174 182 A R T <4 S+ 0 0 55 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.784 109.3 56.5 -73.3 -40.8 81.5 36.7 47.1 175 183 A R T 3< S- 0 0 64 -4,-0.8 2,-0.2 90,-0.2 -1,-0.2 0.141 126.4 -93.5 -82.1 15.2 81.3 40.4 47.9 176 184 A G < + 0 0 34 -3,-0.5 -3,-0.1 1,-0.2 147,-0.1 -0.250 66.4 165.7 103.5 -49.6 83.9 40.1 50.7 177 185 A A - 0 0 32 -5,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.546 37.5-138.3 -6.1 131.4 81.6 39.5 53.8 178 186 A E S S+ 0 0 139 1,-0.1 -34,-3.3 -35,-0.1 -33,-0.3 0.729 84.5 4.3 -75.9 -20.8 83.1 38.2 57.0 179 187 A S E -A 143 0A 34 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.977 69.8-159.3-155.2 162.6 80.2 35.9 57.7 180 188 A S E -A 142 0A 4 -38,-3.4 -38,-4.0 -2,-0.3 3,-0.1 -0.893 25.4-125.6-144.3 175.3 77.1 34.8 56.0 181 189 A G S S- 0 0 34 -2,-0.3 65,-0.4 1,-0.2 2,-0.3 0.769 84.9 -8.7 -89.6 -35.9 73.7 33.3 56.5 182 190 A D S S- 0 0 82 63,-0.1 2,-0.6 -40,-0.1 -1,-0.2 -0.983 70.9 -98.5-158.1 162.2 73.8 30.3 54.0 183 191 A M E - c 0 247B 0 63,-2.7 65,-2.4 -2,-0.3 2,-0.6 -0.776 34.9-168.2 -92.1 126.2 75.8 28.9 51.2 184 192 A D E - c 0 248B 25 -2,-0.6 -14,-2.0 -14,-0.3 2,-0.5 -0.870 2.3-171.0-117.4 106.3 74.5 29.8 47.7 185 193 A V E -Bc 169 249B 2 63,-3.1 65,-1.6 -2,-0.6 2,-0.5 -0.795 9.7-158.3-100.6 130.2 75.8 27.9 44.7 186 194 A L E -Bc 168 250B 1 -18,-2.7 -18,-1.5 -2,-0.5 2,-0.4 -0.859 21.7-169.9 -98.1 127.9 75.1 28.9 41.0 187 195 A L E +Bc 167 251B 1 63,-3.3 65,-3.0 -2,-0.5 2,-0.3 -0.984 15.0 157.0-132.2 141.0 75.7 26.0 38.7 188 196 A T E -Bc 166 252B 0 -22,-1.5 -22,-2.0 -2,-0.4 5,-0.1 -0.897 18.2-157.0-147.0 170.3 75.9 25.5 34.9 189 197 A H E > - c 0 253B 13 63,-0.5 3,-1.2 3,-0.4 65,-0.8 -0.946 29.5-119.5-150.2 152.9 77.2 23.2 32.3 190 198 A P T 3 S+ 0 0 65 0, 0.0 65,-0.1 0, 0.0 -1,-0.1 0.825 112.5 59.9 -61.5 -40.4 78.1 23.8 28.7 191 199 A S T 3 S+ 0 0 60 -27,-0.1 2,-0.4 1,-0.1 11,-0.1 0.127 98.2 72.2 -78.5 20.1 75.7 21.2 27.7 192 200 A F < + 0 0 16 -3,-1.2 62,-3.9 60,-0.1 63,-0.4 -0.946 59.8 129.4-145.7 122.0 72.7 23.1 29.3 193 201 A T - 0 0 32 -2,-0.4 3,-0.3 60,-0.3 5,-0.1 -0.994 64.9 -57.5-170.1 161.5 71.2 26.2 28.1 194 202 A S S S+ 0 0 67 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 0.409 130.1 17.1 1.2 -60.6 68.2 28.3 27.1 195 203 A E S S+ 0 0 161 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.900 93.5 110.3 -89.1 -55.1 67.0 25.9 24.4 196 204 A S S S- 0 0 36 -3,-0.3 2,-1.0 1,-0.2 -3,-0.1 0.138 80.1-114.0 -26.5 114.6 68.8 22.6 25.2 197 205 A T - 0 0 132 -5,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.546 54.0 -76.8 -74.5 113.2 66.1 20.4 26.4 198 206 A K - 0 0 82 -2,-1.0 -5,-0.1 -3,-0.1 -1,-0.1 0.631 32.2-161.9 29.4-179.5 66.8 19.7 30.0 199 207 A Q + 0 0 80 25,-0.2 4,-0.2 -7,-0.1 -1,-0.1 -0.237 8.6 177.7 163.6 92.9 69.1 17.6 31.8 200 208 A P S >> S+ 0 0 48 0, 0.0 3,-2.6 0, 0.0 4,-2.1 0.851 80.7 66.6 -73.7 -40.4 68.1 17.0 35.4 201 209 A K H 3> S+ 0 0 115 1,-0.3 4,-3.0 2,-0.2 5,-0.4 0.798 83.8 77.2 -51.1 -33.1 70.9 14.7 36.0 202 210 A L H 34 S+ 0 0 3 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.833 110.2 24.8 -47.6 -38.8 73.0 17.8 35.5 203 211 A L H X> S+ 0 0 0 -3,-2.6 4,-2.0 21,-0.2 3,-0.6 0.891 119.1 55.9 -91.4 -50.2 72.0 18.8 39.0 204 212 A H H 3X S+ 0 0 43 -4,-2.1 4,-1.7 1,-0.2 -3,-0.2 0.782 100.8 62.2 -55.3 -29.6 71.1 15.4 40.7 205 213 A Q H 3X S+ 0 0 75 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.2 0.938 106.8 43.2 -63.7 -44.7 74.6 14.1 39.9 206 214 A V H <> S+ 0 0 2 -3,-0.6 4,-2.3 -4,-0.4 5,-0.2 0.901 108.0 57.9 -68.2 -39.8 76.2 16.7 41.9 207 215 A V H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.914 105.9 51.2 -55.5 -42.3 73.9 16.5 44.8 208 216 A E H X S+ 0 0 119 -4,-1.7 4,-3.2 2,-0.2 3,-0.3 0.934 106.6 52.5 -59.7 -50.4 74.7 12.9 45.2 209 217 A Q H X S+ 0 0 26 -4,-1.6 4,-3.1 1,-0.3 6,-0.3 0.943 107.2 53.6 -53.0 -47.9 78.4 13.4 45.3 210 218 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.3 6,-1.8 0.865 115.3 39.0 -59.7 -34.7 78.0 15.9 47.9 211 219 A Q H <5S+ 0 0 64 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.769 107.2 67.3 -86.8 -21.8 76.1 13.4 50.0 212 220 A K H <5S+ 0 0 146 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.986 111.3 32.4 -58.7 -54.5 78.4 10.7 48.9 213 221 A V T <5S- 0 0 57 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.529 119.5-114.1 -79.7 -2.4 81.1 12.4 50.8 214 222 A H T 5S+ 0 0 137 -4,-0.3 -3,-0.2 -5,-0.3 18,-0.2 0.689 79.5 125.1 83.4 18.2 78.6 13.6 53.5 215 223 A F S -c 189 0B 19 0, 0.0 3,-2.4 0, 0.0 -60,-0.3 -0.468 32.1-123.5 -63.7 135.5 71.7 27.3 31.4 254 262 A K G > S+ 0 0 70 -62,-3.9 3,-1.1 -65,-0.8 4,-0.3 0.789 108.5 69.4 -51.0 -31.9 75.1 28.3 30.5 255 263 A D G 3 S+ 0 0 71 -63,-0.4 -1,-0.3 1,-0.2 50,-0.2 0.408 109.9 31.9 -73.7 11.2 73.7 30.9 28.3 256 264 A Q G <> S+ 0 0 31 -3,-2.4 4,-1.1 33,-0.1 -1,-0.2 0.203 84.4 111.0-150.3 21.9 72.5 33.0 31.4 257 265 A Y H X> S+ 0 0 1 -3,-1.1 4,-3.3 1,-0.2 3,-1.2 0.997 74.6 47.4 -59.4 -76.1 75.0 32.2 34.0 258 266 A Y H 3> S+ 0 0 39 -4,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.637 109.7 51.8 -43.2 -33.4 76.8 35.5 34.4 259 267 A C H 3> S+ 0 0 7 29,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.854 116.3 43.1 -73.3 -38.1 73.7 37.7 34.6 260 268 A G H X S+ 0 0 9 -4,-2.7 3,-1.0 -5,-0.2 4,-0.8 0.987 115.2 49.8 -55.0 -62.3 76.1 39.0 38.7 263 271 A Y H >< S+ 0 0 61 -4,-2.9 3,-0.9 1,-0.3 -2,-0.2 0.793 110.0 46.5 -44.2 -54.6 72.7 39.3 39.9 264 272 A F H 3< S+ 0 0 68 -4,-3.3 -93,-0.6 1,-0.2 -1,-0.3 0.720 102.9 66.8 -67.9 -24.1 73.0 37.0 42.9 265 273 A T H << S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-1.0 -2,-0.2 0.754 90.0 131.8 -67.0 -27.8 76.2 38.6 43.9 266 274 A G << - 0 0 3 -3,-0.9 2,-0.2 -4,-0.8 -1,-0.1 -0.081 63.5-153.0 58.3-156.2 74.4 41.8 44.7 267 275 A S >> - 0 0 13 -3,-0.1 4,-2.3 60,-0.1 3,-1.1 0.660 36.9-126.7 -82.3 166.7 74.1 43.8 46.7 268 276 A D H 3> S+ 0 0 113 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.778 111.6 49.3 -36.1 -49.8 70.6 45.0 46.0 269 277 A I H 3> S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.836 107.3 53.6 -63.3 -40.5 71.8 48.6 45.7 270 278 A F H <> S+ 0 0 0 -3,-1.1 4,-2.5 56,-0.7 5,-0.2 0.927 109.5 50.8 -62.8 -40.6 74.6 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