==== 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 04-JAN-96 8ICZ . 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) . 17968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 70.6 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 . 26 8.0 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 . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.8 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 . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 1 4 1 0 0 1 2 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 219 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -22.0 67.2 58.2 56.8 2 10 A T + 0 0 118 37,-0.1 3,-0.4 3,-0.0 4,-0.3 0.268 360.0 73.2-160.0 -23.8 67.1 59.3 60.5 3 11 A L S S+ 0 0 48 1,-0.2 42,-0.3 36,-0.1 4,-0.1 0.812 110.8 36.0 -72.9 -24.0 64.9 62.3 60.6 4 12 A N S > S+ 0 0 7 35,-0.2 4,-2.5 1,-0.1 5,-0.2 0.417 87.4 126.2-109.2 9.4 62.1 60.0 60.0 5 13 A G H > S+ 0 0 22 -3,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.706 73.1 32.8 -22.8 -79.0 63.4 57.2 62.1 6 14 A G H > S+ 0 0 35 -4,-0.3 4,-3.4 2,-0.2 5,-0.3 0.880 115.6 59.5 -58.3 -45.3 60.7 56.2 64.7 7 15 A I H > S+ 0 0 8 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.922 110.4 41.4 -53.8 -46.3 57.9 57.1 62.3 8 16 A T H X S+ 0 0 20 -4,-2.5 4,-1.1 1,-0.2 -1,-0.3 0.837 115.1 50.5 -71.8 -32.7 59.1 54.6 59.9 9 17 A D H X S+ 0 0 98 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.884 109.2 48.5 -71.4 -37.2 59.9 52.1 62.5 10 18 A M H X S+ 0 0 5 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.920 111.7 53.8 -60.8 -46.9 56.5 52.2 64.2 11 19 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.688 108.8 47.0 -57.4 -36.8 54.9 51.9 60.8 12 20 A T H X S+ 0 0 50 -4,-1.1 4,-3.2 2,-0.2 -1,-0.2 0.838 109.1 52.6 -80.4 -37.5 56.8 48.8 59.9 13 21 A E H X S+ 0 0 99 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.906 114.3 46.2 -60.2 -42.4 56.1 47.1 63.2 14 22 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.899 111.4 49.4 -62.8 -50.9 52.5 47.9 62.4 15 23 A A H X S+ 0 0 3 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.959 110.9 51.8 -57.8 -50.7 52.7 46.7 58.9 16 24 A N H X S+ 0 0 80 -4,-3.2 4,-2.2 1,-0.2 5,-0.4 0.864 104.4 56.6 -55.9 -37.9 54.3 43.6 60.1 17 25 A F H X>S+ 0 0 34 -4,-1.7 4,-1.6 -5,-0.2 5,-1.1 0.975 107.9 44.8 -60.4 -51.9 51.7 43.0 62.5 18 26 A E H <5S+ 0 0 7 -4,-2.0 6,-1.7 1,-0.2 7,-0.2 0.948 114.1 50.4 -53.7 -54.5 48.8 43.0 60.0 19 27 A K H <5S+ 0 0 84 -4,-2.1 -1,-0.2 5,-0.3 -2,-0.2 0.932 124.0 25.9 -44.7 -65.7 50.7 40.9 57.6 20 28 A N H <5S+ 0 0 22 -4,-2.2 84,-0.2 -5,-0.2 -2,-0.2 0.960 129.7 29.7 -68.1 -68.0 51.7 38.1 60.1 21 29 A V T <5S+ 0 0 28 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.994 127.6 32.3 -65.1 -66.4 49.2 38.0 62.9 22 30 A S S > + 0 0 20 -6,-1.7 4,-3.7 -2,-0.8 3,-0.5 -0.308 13.8 161.7-121.0 58.1 45.7 42.0 56.5 25 33 A I H 3> S+ 0 0 99 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.766 79.0 50.3 -36.4 -41.2 47.5 42.3 53.3 26 34 A H H 3> S+ 0 0 151 2,-0.2 4,-1.0 -3,-0.2 -1,-0.3 0.974 114.3 38.7 -71.2 -51.9 45.8 45.6 52.7 27 35 A K H <> S+ 0 0 115 -3,-0.5 4,-2.5 1,-0.2 3,-0.3 0.895 120.1 49.5 -61.5 -44.1 46.5 47.3 55.9 28 36 A Y H X S+ 0 0 35 -4,-3.7 4,-1.3 1,-0.3 -1,-0.2 0.906 107.6 51.1 -59.9 -46.3 49.7 45.8 55.9 29 37 A N H X S+ 0 0 80 -4,-1.9 4,-1.1 -5,-0.4 -1,-0.3 0.745 109.3 56.4 -64.4 -23.9 50.4 46.9 52.4 30 38 A A H >X S+ 0 0 29 -4,-1.0 4,-2.3 -3,-0.3 3,-0.9 0.977 100.7 53.8 -69.3 -64.4 49.3 50.4 53.6 31 39 A Y H 3X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.760 110.3 48.6 -41.4 -37.8 51.8 50.7 56.4 32 40 A R H 3X S+ 0 0 133 -4,-1.3 4,-1.8 2,-0.2 -1,-0.3 0.851 106.4 50.6 -80.6 -36.0 54.7 50.0 54.1 33 41 A K H X S+ 0 0 34 -4,-2.1 4,-1.6 1,-0.2 3,-0.5 0.839 111.4 53.6 -65.2 -42.2 57.3 57.8 51.5 38 46 A I H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 5,-0.2 0.671 105.3 59.6 -66.6 -20.5 58.0 59.3 55.0 39 47 A A H 3< S+ 0 0 43 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.811 106.3 45.2 -73.4 -35.1 61.5 57.8 54.6 40 48 A K H << S+ 0 0 168 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.827 88.0 112.2 -76.2 -36.5 61.9 59.9 51.5 41 49 A Y < - 0 0 47 -4,-1.6 4,-0.1 1,-0.2 -38,-0.1 -0.269 60.8-150.2 -55.3 122.1 60.5 63.0 53.2 42 50 A P + 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.007 67.3 65.5 -74.0 3.9 63.3 65.4 53.6 43 51 A H S S- 0 0 105 -5,-0.2 2,-0.6 -39,-0.0 -2,-0.0 -0.955 87.9 -94.7-142.1 163.0 62.0 67.0 56.6 44 52 A K - 0 0 124 -2,-0.3 2,-0.5 1,-0.1 -40,-0.1 -0.591 43.1-128.7 -75.4 115.4 61.2 66.4 60.2 45 53 A I + 0 0 7 -2,-0.6 3,-0.1 -42,-0.3 -1,-0.1 -0.494 28.1 179.7 -70.8 121.7 57.6 65.4 60.6 46 54 A K - 0 0 150 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.560 59.2 -5.4 -96.6 -11.9 56.0 67.6 63.1 47 55 A S > - 0 0 39 1,-0.2 4,-2.3 22,-0.0 -1,-0.2 -0.996 67.9 -97.9-170.6 171.4 52.5 66.3 63.0 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-5.6 1,-0.2 5,-0.2 0.980 118.9 57.3 -60.1 -54.6 49.9 64.0 61.5 49 57 A A H > S+ 0 0 64 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.843 108.4 44.7 -38.7 -51.9 48.6 66.8 59.5 50 58 A E H >4 S+ 0 0 35 2,-0.2 3,-0.6 1,-0.2 -1,-0.3 0.924 117.9 43.6 -63.7 -48.2 51.9 67.4 57.9 51 59 A A H >< S+ 0 0 0 -4,-2.3 3,-2.7 1,-0.2 -2,-0.2 0.950 104.4 67.9 -58.3 -52.3 52.5 63.8 57.3 52 60 A K H 3< S+ 0 0 91 -4,-5.6 -1,-0.2 1,-0.3 -2,-0.2 0.700 81.8 72.8 -38.4 -38.4 49.0 63.6 56.2 53 61 A K T << S+ 0 0 159 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.1 0.544 85.0 98.6 -62.9 -4.3 49.7 65.6 53.1 54 62 A L S X S- 0 0 30 -3,-2.7 3,-1.1 4,-0.1 2,-0.3 -0.484 86.7 -98.4 -91.0 164.2 51.5 62.7 51.8 55 63 A P T 3 S+ 0 0 96 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.596 110.5 18.0 -75.3 130.1 50.4 60.1 49.4 56 64 A G T 3 S+ 0 0 32 -2,-0.3 2,-1.4 1,-0.2 -22,-0.2 0.157 95.6 115.8 88.7 -12.9 49.4 57.0 51.3 57 65 A V < + 0 0 7 -3,-1.1 -1,-0.2 -6,-0.2 -3,-0.1 -0.669 41.4 171.1 -94.4 99.3 49.0 58.9 54.4 58 66 A G > - 0 0 33 -2,-1.4 4,-1.3 -3,-0.1 3,-0.2 -0.103 53.5 -88.3 -85.5-167.0 45.4 58.7 55.3 59 67 A T H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.761 119.6 68.2 -74.4 -27.3 43.8 59.8 58.4 60 68 A K H > S+ 0 0 145 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.852 108.7 32.6 -60.5 -40.4 44.4 56.3 59.9 61 69 A I H > S+ 0 0 12 2,-0.2 4,-3.4 -3,-0.2 -1,-0.2 0.736 110.5 63.0 -87.3 -34.3 48.1 56.7 60.1 62 70 A A H X S+ 0 0 9 -4,-1.3 4,-2.8 1,-0.2 5,-0.2 0.961 103.6 52.2 -56.9 -49.0 48.2 60.3 60.7 63 71 A E H X S+ 0 0 133 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.873 109.4 49.2 -51.7 -44.0 46.4 59.6 63.9 64 72 A K H X S+ 0 0 29 -4,-0.6 4,-1.8 1,-0.2 5,-0.3 0.966 108.4 53.9 -63.0 -49.3 49.0 57.1 64.8 65 73 A I H X S+ 0 0 0 -4,-3.4 4,-3.3 1,-0.2 3,-0.4 0.928 105.8 51.1 -53.2 -52.1 51.8 59.4 64.0 66 74 A D H X S+ 0 0 71 -4,-2.8 4,-5.4 1,-0.2 -1,-0.2 0.932 108.2 52.5 -53.9 -47.4 50.5 62.2 66.3 67 75 A E H X S+ 0 0 71 -4,-1.8 4,-2.9 1,-0.2 6,-0.5 0.848 114.3 42.0 -54.7 -39.6 50.2 59.8 69.3 68 76 A F H < S+ 0 0 52 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.901 117.9 45.5 -75.9 -42.6 53.6 58.6 68.9 69 77 A L H < S+ 0 0 59 -4,-3.3 -2,-0.2 -5,-0.3 -3,-0.2 0.929 116.6 49.2 -66.0 -40.1 54.9 62.1 68.2 70 78 A A H < S+ 0 0 79 -4,-5.4 2,-0.4 -5,-0.3 -2,-0.2 0.989 127.4 14.5 -58.1 -65.9 52.8 63.2 71.1 71 79 A T S < S- 0 0 69 -4,-2.9 2,-2.4 2,-0.4 -1,-0.2 -0.925 91.5-104.9-113.3 136.1 53.9 60.5 73.7 72 80 A G S S+ 0 0 74 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 0.328 97.0 36.3 -46.2 14.8 57.0 58.4 73.1 73 81 A K S S- 0 0 111 -2,-2.4 2,-0.4 -6,-0.5 -2,-0.4 -0.902 71.1-122.1-154.0-175.4 54.9 55.4 72.2 74 82 A L > - 0 0 1 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 -0.997 18.4-142.1-134.6 134.1 51.8 54.0 70.6 75 83 A R H >> S+ 0 0 152 -2,-0.4 4,-3.9 2,-0.2 3,-0.9 0.979 101.7 47.5 -61.2 -56.1 49.3 51.9 72.5 76 84 A K H 3> S+ 0 0 78 1,-0.3 4,-2.6 2,-0.3 5,-0.3 0.898 111.6 52.9 -49.6 -45.0 48.4 49.4 69.9 77 85 A L H 3> S+ 0 0 19 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.871 114.1 43.5 -60.0 -34.6 52.0 49.1 69.3 78 86 A E H X S+ 0 0 123 -4,-3.9 4,-2.4 1,-0.2 3,-0.5 0.928 114.0 44.2 -54.9 -51.2 49.3 46.1 73.2 80 88 A I H 3< S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.803 108.5 57.2 -62.1 -36.8 50.7 43.9 70.3 81 89 A R H 3< S+ 0 0 185 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.781 113.6 42.3 -68.3 -26.4 54.2 43.9 71.8 82 90 A Q H << S+ 0 0 133 -4,-1.1 -2,-0.2 -3,-0.5 -3,-0.1 0.950 88.7 102.7 -81.2 -61.1 52.6 42.4 74.9 83 91 A D X - 0 0 69 -4,-2.4 4,-1.5 1,-0.1 5,-0.1 0.105 57.5-151.4 -32.5 123.7 50.1 39.8 73.5 84 92 A D H > S+ 0 0 99 2,-0.2 4,-3.5 3,-0.2 5,-0.1 0.900 90.9 56.4 -70.5 -40.1 51.2 36.2 73.7 85 93 A T H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.983 115.2 35.5 -52.2 -62.5 49.3 35.0 70.7 86 94 A S H > S+ 0 0 1 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.888 117.3 55.8 -59.8 -35.3 50.8 37.4 68.3 87 95 A S H X S+ 0 0 49 -4,-1.5 4,-1.0 1,-0.2 -1,-0.3 0.887 105.3 53.7 -61.5 -41.0 54.0 37.0 70.3 88 96 A S H X S+ 0 0 13 -4,-3.5 4,-2.0 1,-0.2 -2,-0.2 0.819 107.2 48.4 -62.3 -40.7 53.7 33.4 69.6 89 97 A I H X S+ 0 0 4 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.721 105.0 58.7 -72.6 -32.0 53.4 33.7 65.8 90 98 A N H < S+ 0 0 68 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.856 112.7 41.8 -67.4 -30.1 56.3 36.0 65.6 91 99 A F H >< S+ 0 0 63 -4,-1.0 3,-1.4 2,-0.2 4,-0.2 0.845 109.5 52.3 -78.4 -50.3 58.3 33.2 67.2 92 100 A L H >< S+ 0 0 0 -4,-2.0 3,-2.3 1,-0.3 6,-0.2 0.894 97.5 70.1 -58.5 -39.1 57.1 30.1 65.4 93 101 A T T 3< S+ 0 0 42 -4,-1.4 -1,-0.3 1,-0.3 5,-0.2 0.731 82.0 73.0 -51.5 -27.7 57.8 31.7 62.2 94 102 A R T < S+ 0 0 114 -3,-1.4 2,-0.7 -4,-0.2 -1,-0.3 0.648 73.3 100.9 -65.3 -16.0 61.5 31.5 62.8 95 103 A V S X S- 0 0 1 -3,-2.3 3,-3.6 -4,-0.2 2,-0.3 -0.654 87.1-118.5 -77.6 115.4 61.3 27.9 62.2 96 104 A S T 3 S+ 0 0 42 -2,-0.7 35,-0.2 35,-0.3 36,-0.1 -0.464 107.3 32.8 -58.8 115.1 62.5 27.3 58.7 97 105 A G T 3 S+ 0 0 29 -2,-0.3 2,-0.7 1,-0.2 -1,-0.3 -0.095 98.6 106.5 121.9 -17.4 59.4 25.8 57.1 98 106 A I < + 0 0 12 -3,-3.6 -1,-0.2 -5,-0.2 0, 0.0 -0.826 41.0 168.5-102.6 123.3 57.2 27.8 59.2 99 107 A G > - 0 0 27 -2,-0.7 4,-1.8 -3,-0.1 -4,-0.1 -0.353 51.8 -85.2-109.1-171.1 55.4 30.6 57.7 100 108 A P H > S+ 0 0 36 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.831 122.6 53.0 -69.9 -38.7 52.5 32.8 59.0 101 109 A S H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.963 114.4 40.7 -61.8 -53.6 49.8 30.5 57.9 102 110 A A H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.889 111.6 60.3 -60.1 -41.2 51.2 27.5 59.6 103 111 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.935 107.4 43.5 -50.9 -57.1 52.2 29.8 62.5 104 112 A R H X S+ 0 0 56 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.878 111.5 54.6 -56.8 -46.4 48.6 30.7 63.2 105 113 A K H < S+ 0 0 100 -4,-2.3 6,-0.2 -5,-0.2 -1,-0.2 0.960 110.9 44.4 -54.6 -52.9 47.4 27.2 62.8 106 114 A F H >X>S+ 0 0 0 -4,-2.8 5,-4.9 1,-0.2 3,-1.9 0.906 111.9 53.7 -55.2 -45.9 49.8 25.8 65.4 107 115 A V H ><5S+ 0 0 5 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.927 104.8 53.5 -56.7 -48.2 49.1 28.5 67.7 108 116 A D T 3<5S+ 0 0 128 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.354 106.9 52.1 -74.0 9.1 45.4 27.8 67.6 109 117 A E T <45S- 0 0 109 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.369 130.1 -97.7-113.9 -8.7 46.1 24.2 68.5 110 118 A G T <<5S+ 0 0 34 -3,-1.5 2,-1.2 -4,-0.6 3,-0.3 0.512 78.2 142.7 100.4 17.0 48.0 25.4 71.4 111 119 A I < + 0 0 6 -5,-4.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.709 11.3 137.6 -90.4 107.5 51.5 25.1 69.8 112 120 A K + 0 0 75 -2,-1.2 -1,-0.2 -3,-0.1 2,-0.1 0.779 51.1 53.9-113.1 -38.0 53.3 28.0 71.0 113 121 A T S > S- 0 0 56 -3,-0.3 4,-1.3 1,-0.1 5,-0.1 -0.323 78.6-112.0 -99.8 178.0 56.7 26.8 71.9 114 122 A L H >> S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 3,-0.5 0.965 121.5 47.3 -67.6 -50.2 59.7 25.1 70.6 115 123 A E H 3> S+ 0 0 119 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.894 106.0 59.3 -57.0 -41.8 59.0 22.2 73.0 116 124 A D H 3> S+ 0 0 41 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.841 103.6 54.7 -53.9 -37.8 55.4 22.3 71.9 117 125 A L H X< S+ 0 0 0 -4,-1.3 3,-0.9 -3,-0.5 -1,-0.3 0.940 105.6 48.5 -63.8 -49.6 56.8 21.7 68.6 118 126 A R H >< S+ 0 0 125 -4,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.926 105.6 58.0 -57.6 -45.4 58.7 18.6 69.6 119 127 A K H 3< S+ 0 0 152 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.776 118.8 33.3 -55.5 -26.6 55.7 17.1 71.3 120 128 A N T X< S+ 0 0 41 -3,-0.9 3,-1.2 -4,-0.9 -1,-0.3 -0.324 72.1 136.0-124.8 43.6 53.9 17.4 68.0 121 129 A E G X + 0 0 99 -3,-1.9 3,-1.4 1,-0.3 -1,-0.1 0.765 69.2 68.9 -64.1 -20.3 56.7 16.8 65.7 122 130 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.869 89.2 59.7 -65.4 -36.6 54.2 14.6 64.0 123 131 A K G < S+ 0 0 81 -3,-1.2 2,-0.3 -6,-0.2 -1,-0.3 0.373 95.7 88.2 -72.1 3.7 52.2 17.6 62.9 124 132 A L S < S- 0 0 6 -3,-1.4 2,-0.1 -4,-0.1 5,-0.0 -0.827 71.8-134.7-107.9 147.7 55.2 18.9 61.1 125 133 A N > - 0 0 87 -2,-0.3 4,-1.6 -28,-0.1 5,-0.2 -0.367 38.3 -91.6 -90.1 175.2 56.4 18.2 57.6 126 134 A H H > S+ 0 0 114 2,-0.2 4,-3.1 1,-0.2 3,-0.5 0.908 124.4 47.3 -47.2 -58.0 59.9 17.3 56.7 127 135 A H H > S+ 0 0 43 1,-0.3 4,-2.0 2,-0.2 3,-0.2 0.944 116.8 44.7 -48.0 -60.4 61.1 20.8 55.9 128 136 A Q H > S+ 0 0 13 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.624 110.8 57.9 -58.2 -22.3 59.6 22.0 59.2 129 137 A R H X S+ 0 0 95 -4,-1.6 4,-2.2 -3,-0.5 -1,-0.2 0.940 110.9 39.9 -75.0 -45.3 61.1 18.9 60.8 130 138 A I H X S+ 0 0 5 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.788 111.3 58.4 -70.8 -28.1 64.5 19.8 59.8 131 139 A G H < S+ 0 0 1 -4,-2.0 -35,-0.3 -5,-0.3 -1,-0.2 0.908 111.5 42.0 -66.8 -38.8 63.8 23.4 60.6 132 140 A L H >< S+ 0 0 12 -4,-1.5 3,-0.6 2,-0.2 -2,-0.2 0.828 112.7 54.4 -72.9 -36.3 63.0 22.4 64.1 133 141 A K H 3< S+ 0 0 132 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.938 119.4 30.9 -64.0 -54.7 65.8 20.0 64.3 134 142 A Y T 3X S+ 0 0 23 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.120 80.5 129.9 -95.6 21.8 68.5 22.5 63.3 135 143 A F T <4 S+ 0 0 24 -3,-0.6 4,-0.5 2,-0.2 -1,-0.2 0.831 75.0 44.9 -38.0 -56.2 66.6 25.4 64.8 136 144 A G T >> S+ 0 0 40 -3,-0.3 3,-2.9 -4,-0.2 4,-0.7 0.988 116.9 41.3 -56.8 -73.2 69.7 26.6 66.7 137 145 A D T 34 S+ 0 0 34 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.779 107.1 64.3 -49.8 -28.4 72.3 26.2 63.9 138 146 A F T 3< S+ 0 0 41 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.792 102.1 50.1 -71.0 -15.4 69.9 27.7 61.4 139 147 A E T <4 S+ 0 0 103 -3,-2.9 -1,-0.2 -4,-0.5 -2,-0.2 0.668 93.4 95.0 -87.7 -23.4 70.0 30.9 63.4 140 148 A K S < S- 0 0 113 -4,-0.7 2,-0.1 -3,-0.3 0, 0.0 -0.458 73.4-122.5 -77.4 140.7 73.8 31.1 63.5 141 149 A R - 0 0 136 -2,-0.2 40,-0.2 1,-0.1 -1,-0.1 -0.391 25.2-119.2 -77.1 151.9 75.9 33.1 61.0 142 150 A I E -A 180 0A 1 38,-4.7 38,-1.9 -2,-0.1 2,-0.2 -0.811 21.9-130.7 -98.3 130.4 78.6 31.4 59.0 143 151 A P E >> -A 179 0A 34 0, 0.0 4,-2.6 0, 0.0 3,-1.1 -0.580 13.9-129.0 -79.5 145.8 82.2 32.6 59.4 144 152 A R H 3> S+ 0 0 62 34,-2.7 4,-2.5 1,-0.3 5,-0.2 0.857 111.6 65.5 -53.0 -35.1 84.1 33.3 56.2 145 153 A E H 3> S+ 0 0 122 33,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.904 109.6 36.7 -52.4 -45.9 86.8 31.0 57.7 146 154 A E H <> S+ 0 0 29 -3,-1.1 4,-2.5 2,-0.2 3,-0.3 0.836 109.8 63.3 -73.3 -41.9 84.2 28.2 57.4 147 155 A M H X S+ 0 0 1 -4,-2.6 4,-3.4 1,-0.3 5,-0.2 0.900 101.1 51.2 -47.1 -54.5 82.9 29.5 54.1 148 156 A L H X S+ 0 0 76 -4,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.819 110.1 50.9 -52.8 -43.5 86.2 29.0 52.4 149 157 A Q H X S+ 0 0 61 -4,-0.7 4,-1.1 -3,-0.3 -1,-0.2 0.899 113.2 43.9 -63.6 -45.0 86.4 25.4 53.7 150 158 A M H >X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 3,-0.9 0.955 112.9 50.4 -61.4 -56.9 82.9 24.6 52.5 151 159 A Q H 3X S+ 0 0 60 -4,-3.4 4,-2.9 1,-0.3 5,-0.3 0.898 107.1 56.2 -46.0 -50.7 83.5 26.3 49.1 152 160 A D H 3X S+ 0 0 84 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.3 0.843 108.4 49.4 -54.2 -35.7 86.6 24.3 48.8 153 161 A I H X S+ 0 0 17 -4,-2.0 4,-2.6 2,-0.2 3,-0.9 1.000 108.2 57.7 -65.7 -63.3 83.5 17.5 44.0 158 166 A V H 3X S+ 0 0 9 -4,-1.7 4,-2.2 1,-0.3 7,-0.3 0.740 112.1 44.9 -30.3 -47.3 81.8 19.4 41.2 159 167 A K H 3< S+ 0 0 139 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.914 109.2 53.7 -70.2 -46.9 85.0 19.1 39.3 160 168 A K H << S+ 0 0 134 -4,-1.8 -2,-0.2 -3,-0.9 -1,-0.2 0.880 112.8 45.4 -57.4 -37.9 85.6 15.5 40.2 161 169 A V H < S- 0 0 50 -4,-2.6 2,-0.4 1,-0.3 -2,-0.2 0.993 135.8 -3.4 -69.1 -66.9 82.3 14.6 38.9 162 170 A D >< - 0 0 47 -4,-2.2 3,-0.7 -5,-0.1 -1,-0.3 -0.984 53.9-156.9-129.8 139.3 82.4 16.6 35.7 163 171 A S T 3 S+ 0 0 81 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.1 0.760 91.9 68.7 -80.3 -26.1 85.1 18.8 34.7 164 172 A E T 3 S+ 0 0 117 -3,-0.1 -1,-0.2 -5,-0.1 -5,-0.1 0.404 79.2 111.1 -71.2 -3.1 82.8 20.8 32.5 165 173 A Y < - 0 0 16 -3,-0.7 2,-0.3 -7,-0.3 24,-0.2 -0.345 50.6-160.7 -74.9 162.6 81.0 22.1 35.5 166 174 A I E +B 188 0B 59 22,-1.7 22,-2.3 20,-0.1 2,-0.4 -0.932 12.8 178.1-145.2 112.1 81.1 25.7 36.6 167 175 A A E -B 187 0B 20 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.939 7.3-172.4-122.5 144.1 80.1 26.6 40.1 168 176 A T E -B 186 0B 34 18,-0.9 18,-4.0 -2,-0.4 2,-1.1 -0.988 19.5-143.6-139.2 123.9 80.1 29.9 41.7 169 177 A V E -B 185 0B 7 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.770 34.6-174.0 -88.4 105.2 79.5 30.6 45.3 170 178 A C + 0 0 3 14,-1.7 14,-0.4 -2,-1.1 3,-0.4 0.047 31.1 62.1 -83.9-162.7 77.6 33.8 45.2 171 179 A G S >> S- 0 0 16 1,-0.2 3,-0.6 2,-0.2 4,-0.5 -0.255 105.2 -34.7 81.5-167.6 76.4 36.2 47.8 172 180 A S T 34 S+ 0 0 24 1,-0.3 5,-0.4 2,-0.3 -1,-0.2 0.733 132.1 65.9 -60.1 -30.0 78.2 38.4 50.4 173 181 A F T >4 S+ 0 0 11 -3,-0.4 3,-1.2 1,-0.3 -1,-0.3 0.945 103.6 45.2 -56.0 -47.6 80.7 35.6 50.7 174 182 A R T <4 S+ 0 0 48 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.3 0.607 107.2 61.1 -66.6 -23.9 81.5 36.5 47.1 175 183 A R T 3< S- 0 0 74 -4,-0.5 2,-1.1 -5,-0.1 -1,-0.3 0.040 123.2-102.6 -95.6 23.8 81.5 40.2 48.2 176 184 A G < + 0 0 34 -3,-1.2 -3,-0.1 1,-0.2 -4,-0.1 -0.283 64.8 164.9 87.6 -51.5 84.3 39.6 50.8 177 185 A A - 0 0 33 -2,-1.1 -1,-0.2 -5,-0.4 -2,-0.1 0.410 41.0-135.4 -9.8 115.4 81.8 39.6 53.7 178 186 A E S S+ 0 0 144 -35,-0.1 -34,-2.7 -34,-0.1 -33,-0.3 0.584 86.1 21.4 -50.5 -26.6 83.2 38.3 57.1 179 187 A S E -A 143 0A 44 -36,-0.2 2,-0.3 -35,-0.1 -7,-0.0 -0.984 67.1-161.8-147.1 156.7 80.1 36.2 57.7 180 188 A S E -A 142 0A 1 -38,-1.9 -38,-4.7 -2,-0.3 3,-0.1 -0.978 22.2-137.4-144.1 155.9 77.3 34.7 55.7 181 189 A G S S- 0 0 35 -2,-0.3 65,-0.3 1,-0.2 2,-0.3 0.817 80.8 -28.2 -76.7 -42.9 73.8 33.4 56.3 182 190 A D S S- 0 0 58 63,-0.1 2,-0.5 -40,-0.1 -1,-0.2 -0.942 72.3 -88.2-163.4 174.8 73.9 30.3 54.0 183 191 A M E - c 0 247B 1 63,-2.1 65,-2.7 -2,-0.3 2,-0.5 -0.892 26.9-163.7-113.8 137.5 75.6 29.2 51.0 184 192 A D E - c 0 248B 28 -2,-0.5 -14,-1.7 -14,-0.4 2,-0.6 -0.944 3.4-165.9-108.9 116.5 74.6 29.7 47.4 185 193 A V E -Bc 169 249B 0 63,-2.8 65,-2.0 -2,-0.5 2,-0.8 -0.922 9.0-151.8-110.9 116.2 76.1 27.7 44.6 186 194 A L E -Bc 168 250B 3 -18,-4.0 -18,-0.9 -2,-0.6 2,-0.5 -0.628 21.4-164.1 -80.1 108.4 75.5 28.9 41.1 187 195 A L E +Bc 167 251B 1 63,-2.2 65,-3.3 -2,-0.8 2,-0.3 -0.790 18.8 152.6-109.5 137.8 75.6 26.1 38.9 188 196 A T E -Bc 166 252B 0 -22,-2.3 -22,-1.7 -2,-0.5 5,-0.1 -0.972 17.2-166.2-148.1 162.9 76.0 25.8 35.2 189 197 A H E > - c 0 253B 11 63,-0.9 3,-1.5 3,-0.4 65,-1.1 -0.986 29.1-123.7-149.2 145.5 77.2 23.5 32.6 190 198 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.870 108.7 59.6 -57.1 -44.2 77.9 23.9 28.8 191 199 A S T 3 S+ 0 0 61 1,-0.1 2,-0.4 -27,-0.1 -3,-0.0 0.330 101.4 72.1 -70.3 8.9 75.6 21.2 27.6 192 200 A F < + 0 0 16 -3,-1.5 62,-3.7 60,-0.1 -3,-0.4 -0.976 60.7 128.3-134.7 119.2 72.8 23.2 29.3 193 201 A T - 0 0 30 -2,-0.4 5,-0.3 60,-0.4 61,-0.1 -0.953 68.2 -53.6-158.0 170.6 71.4 26.4 28.1 194 202 A S S S+ 0 0 72 -2,-0.3 4,-0.0 1,-0.2 -2,-0.0 0.533 130.6 14.1 -14.1 -52.1 68.2 28.4 27.1 195 203 A E S S+ 0 0 151 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.864 89.4 109.8-101.1 -53.4 66.9 25.8 24.6 196 204 A S S S- 0 0 39 1,-0.2 2,-2.2 3,-0.0 -3,-0.3 0.009 84.0-111.7 -33.1 93.5 68.9 22.4 25.2 197 205 A T - 0 0 131 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 0.027 55.5 -86.8 -35.4 63.9 66.1 20.4 26.6 198 206 A K - 0 0 97 -2,-2.2 -5,-0.0 -5,-0.3 -3,-0.0 0.279 23.2-143.7 55.8 173.2 67.4 20.0 30.1 199 207 A Q >> + 0 0 89 25,-0.2 3,-1.2 -7,-0.0 4,-0.5 -0.382 18.5 179.4-178.6 75.2 69.6 17.5 31.8 200 208 A P H >> S+ 0 0 49 0, 0.0 4,-2.0 0, 0.0 3,-1.2 0.804 81.4 63.8 -56.6 -35.7 68.2 17.1 35.3 201 209 A K H 3> S+ 0 0 121 1,-0.3 4,-4.4 2,-0.2 5,-0.3 0.878 86.2 72.0 -58.9 -36.6 70.8 14.7 36.0 202 210 A L H <> S+ 0 0 3 -3,-1.2 4,-0.6 2,-0.2 -1,-0.3 0.850 109.4 34.0 -46.3 -39.6 73.3 17.5 35.6 203 211 A L H XX S+ 0 0 0 -3,-1.2 4,-1.5 -4,-0.5 3,-1.1 0.976 120.2 47.5 -75.8 -60.5 71.8 18.8 39.0 204 212 A H H 3X S+ 0 0 39 -4,-2.0 4,-2.4 1,-0.3 5,-0.2 0.782 100.4 69.1 -44.3 -45.1 71.2 15.4 40.6 205 213 A Q H 3X S+ 0 0 80 -4,-4.4 4,-0.6 1,-0.3 -1,-0.3 0.824 108.1 33.7 -47.3 -50.6 74.6 14.1 39.7 206 214 A V H X S+ 0 0 22 -4,-0.6 4,-2.0 -5,-0.2 3,-0.5 0.998 105.8 49.5 -61.2 -59.9 78.2 13.7 45.1 210 218 A L H 3<>S+ 0 0 2 -4,-2.7 5,-3.0 1,-0.3 6,-0.8 0.835 114.7 47.5 -44.4 -42.5 78.1 16.1 48.0 211 219 A Q H 3<5S+ 0 0 70 -4,-1.9 -1,-0.3 3,-0.2 3,-0.2 0.837 103.8 59.3 -67.4 -43.6 76.0 13.6 50.0 212 220 A K H <<5S+ 0 0 147 -4,-2.2 -1,-0.2 -3,-0.5 -2,-0.2 0.839 112.9 39.8 -58.7 -34.7 78.2 10.6 49.2 213 221 A V T <5S- 0 0 54 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.625 120.6-115.1 -90.2 -11.6 81.0 12.4 50.8 214 222 A H T 5S+ 0 0 135 -4,-0.5 -3,-0.2 -5,-0.3 -2,-0.1 0.838 81.8 117.3 82.6 41.2 78.6 13.7 53.6 215 223 A F S -D 226 0B 36 3,-1.1 3,-0.5 -2,-0.4 -2,-0.1 -0.798 63.0 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-2,-0.3 -18,-0.1 -0.483 47.4 -95.4 -77.0 134.0 81.9 20.3 57.7 234 242 A P - 0 0 85 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.256 37.2-122.3 -52.9 119.6 83.7 17.2 58.9 235 243 A S - 0 0 24 1,-0.1 3,-0.3 7,-0.1 6,-0.2 -0.656 36.9-140.5 -75.5 102.6 84.2 17.4 62.5 236 244 A K - 0 0 108 -2,-1.0 2,-0.6 4,-0.3 -1,-0.1 0.835 58.1 -25.5 -31.2-138.8 87.9 17.1 62.6 237 245 A N S S- 0 0 160 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 -0.232 106.8 -92.2 -86.1 41.7 89.9 15.1 65.2 238 246 A D S S+ 0 0 98 -2,-0.6 -1,-0.2 -3,-0.3 -2,-0.1 0.760 98.3 84.1 47.1 142.9 87.1 15.5 67.7 239 247 A E S S+ 0 0 182 -3,-0.1 2,-0.3 -4,-0.0 -1,-0.1 -0.108 96.4 57.6 127.7 -15.1 86.2 17.9 70.5 240 248 A K - 0 0 135 2,-0.0 -4,-0.3 0, 0.0 2,-0.2 -0.826 61.3-177.2-148.4 108.0 84.6 20.2 67.9 241 249 A E - 0 0 129 -2,-0.3 -8,-0.0 -6,-0.2 -9,-0.0 -0.649 29.6-110.2 -98.3 153.7 81.7 19.4 65.5 242 250 A Y - 0 0 45 -9,-0.8 2,-0.1 -2,-0.2 -7,-0.1 -0.497 27.1-109.4 -87.4 153.3 80.3 21.8 62.9 243 251 A P - 0 0 21 0, 0.0 -10,-0.4 0, 0.0 2,-0.3 -0.505 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