==== 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 8ICV . 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) . 17994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 38.8 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 0 3 2 1 0 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 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 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 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 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -27.4 67.2 58.1 56.8 2 10 A T > + 0 0 126 37,-0.1 3,-0.9 3,-0.0 4,-0.3 0.321 360.0 67.6-150.1 -34.0 67.3 59.4 60.4 3 11 A L T 3 S+ 0 0 59 1,-0.3 4,-0.2 2,-0.1 42,-0.2 0.946 114.2 32.3 -65.1 -42.6 65.0 62.4 60.4 4 12 A N T 3> S+ 0 0 7 35,-0.2 4,-2.4 1,-0.1 5,-0.3 0.261 88.9 118.9-104.4 25.7 62.1 60.3 59.8 5 13 A G H <> S+ 0 0 16 -3,-0.9 4,-3.5 2,-0.2 5,-0.2 0.904 71.4 43.1 -45.1 -78.6 63.3 57.1 61.7 6 14 A G H > S+ 0 0 38 -4,-0.3 4,-3.6 1,-0.2 5,-0.4 0.823 116.8 57.1 -42.9 -38.3 60.8 56.4 64.6 7 15 A I H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.985 111.4 33.4 -60.8 -66.6 58.2 57.2 62.0 8 16 A T H X S+ 0 0 22 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.871 120.2 59.0 -57.9 -35.5 58.9 54.8 59.3 9 17 A D H X S+ 0 0 98 -4,-3.5 4,-2.6 -5,-0.3 -2,-0.2 0.949 108.4 38.3 -59.5 -53.1 60.0 52.5 62.1 10 18 A M H X S+ 0 0 6 -4,-3.6 4,-2.4 1,-0.2 -1,-0.2 0.908 113.7 62.5 -65.0 -32.8 56.8 52.3 64.0 11 19 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.4 -2,-0.2 0.931 107.3 39.9 -53.9 -51.2 55.2 52.3 60.5 12 20 A T H X S+ 0 0 56 -4,-3.0 4,-3.0 2,-0.2 5,-0.4 0.902 109.0 60.6 -66.4 -41.7 56.9 49.1 59.7 13 21 A E H X S+ 0 0 104 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.900 113.6 41.1 -47.3 -45.7 56.3 47.6 63.3 14 22 A L H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.976 112.9 48.8 -64.9 -67.2 52.6 48.1 62.4 15 23 A A H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.875 112.5 51.2 -45.0 -51.0 52.5 47.0 58.8 16 24 A N H X S+ 0 0 83 -4,-3.0 4,-2.2 1,-0.3 -1,-0.2 0.965 106.5 52.7 -54.5 -57.2 54.3 43.9 59.6 17 25 A F H <>S+ 0 0 33 -4,-1.7 5,-1.2 -5,-0.4 -1,-0.3 0.799 106.7 53.9 -50.4 -34.7 52.0 43.1 62.4 18 26 A E H X5S+ 0 0 4 -4,-1.8 4,-1.3 -3,-0.3 6,-0.8 1.000 112.1 42.9 -60.2 -62.5 49.0 43.4 60.1 19 27 A K H <5S+ 0 0 85 -4,-1.9 -2,-0.2 5,-0.2 -1,-0.2 0.726 123.6 35.3 -50.5 -37.8 50.3 41.0 57.6 20 28 A N T <5S+ 0 0 23 -4,-2.2 -3,-0.1 -5,-0.2 -2,-0.1 0.880 127.8 26.0 -86.1 -91.7 51.6 38.3 60.1 21 29 A V T 45S+ 0 0 32 65,-0.1 2,-0.2 2,-0.1 -3,-0.2 0.749 133.6 37.7 -42.6 -35.4 49.4 38.1 63.2 22 30 A S S < + 0 0 24 -6,-0.8 4,-3.2 1,-0.2 5,-0.3 -0.433 21.7 169.8 -88.5 55.6 45.3 42.2 56.7 25 33 A I H > S+ 0 0 104 -2,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.734 76.4 47.8 -33.6 -43.0 47.2 42.3 53.5 26 34 A H H > S+ 0 0 148 2,-0.3 4,-3.5 -3,-0.2 -1,-0.2 0.968 111.9 43.3 -67.7 -61.2 45.9 45.7 52.7 27 35 A K H > S+ 0 0 113 1,-0.3 4,-2.3 2,-0.3 5,-0.2 0.876 117.6 51.6 -53.6 -37.1 46.4 47.5 56.0 28 36 A Y H X S+ 0 0 33 -4,-3.2 4,-0.7 1,-0.2 -1,-0.3 0.953 110.2 45.2 -63.1 -43.4 49.6 45.8 55.8 29 37 A N H X S+ 0 0 80 -4,-1.8 4,-1.2 -5,-0.3 -2,-0.3 0.798 111.4 56.7 -66.7 -33.1 50.1 47.2 52.4 30 38 A A H >X S+ 0 0 34 -4,-3.5 4,-2.0 1,-0.2 3,-1.2 0.996 101.9 51.1 -62.6 -67.3 48.9 50.6 53.6 31 39 A Y H 3X S+ 0 0 12 -4,-2.3 4,-1.5 1,-0.3 -1,-0.2 0.662 109.8 56.5 -45.1 -22.3 51.5 51.1 56.5 32 40 A R H 3X S+ 0 0 137 -4,-0.7 4,-1.6 -5,-0.2 -1,-0.3 0.860 104.5 43.9 -84.1 -39.2 54.2 50.3 54.0 33 41 A K H X S+ 0 0 32 -4,-2.2 3,-2.3 2,-0.2 4,-1.3 0.975 111.7 53.7 -78.1 -59.7 56.9 57.9 51.6 38 46 A I H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.692 105.4 61.9 -47.8 -26.4 57.5 59.5 54.9 39 47 A A H 3< S+ 0 0 42 -4,-0.7 -1,-0.3 -5,-0.4 -2,-0.2 0.896 105.0 43.8 -67.7 -42.5 60.8 57.9 54.5 40 48 A K H << S+ 0 0 170 -3,-2.3 -2,-0.2 -4,-0.6 -1,-0.2 0.779 88.1 115.2 -73.6 -28.2 61.5 59.9 51.4 41 49 A Y < - 0 0 51 -4,-1.3 4,-0.1 1,-0.1 -37,-0.1 -0.316 61.1-144.3 -58.5 125.9 60.3 63.2 52.9 42 50 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.095 70.0 59.3 -71.4 4.0 62.9 65.8 53.3 43 51 A H S S- 0 0 111 -39,-0.0 2,-0.5 -40,-0.0 -2,-0.0 -0.977 90.7 -89.5-144.9 159.6 61.8 67.3 56.5 44 52 A K - 0 0 113 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.460 45.6-128.9 -64.9 112.9 61.1 66.5 60.1 45 53 A I - 0 0 7 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 -0.457 27.7-176.3 -66.7 128.2 57.6 65.5 60.2 46 54 A K - 0 0 139 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.629 56.1 -10.6-101.2 -14.7 56.1 67.6 62.9 47 55 A S S > S- 0 0 36 1,-0.2 4,-1.6 22,-0.0 -1,-0.2 -0.982 72.8 -88.9-168.2 177.6 52.6 66.4 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-5.1 1,-0.2 3,-0.6 0.980 119.9 54.1 -63.0 -53.9 50.0 64.3 61.5 49 57 A A H 3> S+ 0 0 68 1,-0.3 4,-1.7 2,-0.3 -1,-0.2 0.878 107.1 50.1 -43.1 -50.4 48.7 67.0 59.4 50 58 A E H 34 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.873 118.1 41.1 -56.6 -41.7 52.0 67.7 57.9 51 59 A A H X< S+ 0 0 0 -4,-1.6 3,-3.0 -3,-0.6 -2,-0.3 0.901 104.4 66.7 -68.1 -52.2 52.4 64.1 57.2 52 60 A K H 3< S+ 0 0 88 -4,-5.1 -2,-0.2 1,-0.3 5,-0.2 0.747 81.6 75.5 -40.6 -41.2 48.9 63.8 56.1 53 61 A K T 3< S+ 0 0 165 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 0.684 82.8 103.5 -49.9 -19.4 49.5 65.9 53.1 54 62 A L S X S- 0 0 30 -3,-3.0 3,-1.0 1,-0.1 2,-0.4 -0.285 84.1-109.1 -74.4 152.3 51.2 62.9 51.7 55 63 A P T 3 S+ 0 0 97 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.598 112.2 23.8 -74.9 131.3 50.1 60.5 49.2 56 64 A G T 3 S+ 0 0 30 -2,-0.4 2,-1.0 1,-0.2 -22,-0.2 0.105 98.7 117.6 94.9 -21.3 49.4 57.3 51.2 57 65 A V < + 0 0 8 -3,-1.0 -1,-0.2 -5,-0.2 2,-0.2 -0.669 39.9 167.8 -87.3 112.6 48.9 59.3 54.2 58 66 A G > - 0 0 24 -2,-1.0 4,-2.0 -3,-0.1 5,-0.2 -0.401 50.9 -89.6-108.1-169.5 45.7 59.0 55.6 59 67 A T H > S+ 0 0 78 2,-0.2 4,-1.1 3,-0.2 -7,-0.1 0.671 117.6 54.7 -67.8 -28.4 43.9 59.9 58.7 60 68 A K H > S+ 0 0 133 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.956 114.0 35.8 -73.2 -55.8 44.6 56.7 60.4 61 69 A I H >> S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 3,-0.9 0.951 117.0 55.2 -61.6 -50.4 48.3 56.6 60.1 62 70 A A H 3X S+ 0 0 7 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.886 105.2 55.5 -47.9 -43.0 48.4 60.3 60.6 63 71 A E H 3X S+ 0 0 130 -4,-1.1 4,-1.4 1,-0.2 -1,-0.3 0.888 106.7 47.3 -58.4 -42.2 46.6 59.8 63.7 64 72 A K H X S+ 0 0 71 -4,-1.7 4,-4.3 2,-0.2 3,-0.8 0.977 106.6 51.7 -60.1 -56.1 50.7 62.2 66.5 67 75 A E H 3X S+ 0 0 80 -4,-1.4 4,-2.0 1,-0.3 6,-0.5 0.776 115.3 45.2 -48.5 -34.6 50.4 59.9 69.4 68 76 A F H 3< S+ 0 0 50 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.733 112.7 48.6 -83.2 -28.5 53.8 58.9 68.7 69 77 A L H << S+ 0 0 55 -4,-2.0 -2,-0.2 -3,-0.8 -3,-0.2 0.942 116.7 43.2 -77.1 -41.6 55.1 62.4 68.3 70 78 A A H < S+ 0 0 88 -4,-4.3 2,-0.4 -5,-0.2 -2,-0.2 0.993 127.6 26.1 -59.8 -65.3 53.5 63.5 71.4 71 79 A T S < S- 0 0 68 -4,-2.0 2,-2.8 -5,-0.2 -1,-0.2 -0.803 85.2-120.8-100.1 135.2 54.5 60.5 73.5 72 80 A G S S+ 0 0 77 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.1 0.058 91.5 51.3 -66.6 39.6 57.5 58.5 72.7 73 81 A K - 0 0 112 -2,-2.8 2,-0.3 -6,-0.5 -2,-0.2 -0.820 68.0-133.7-151.8-168.2 55.2 55.5 72.3 74 82 A L > - 0 0 4 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.954 12.1-145.9-155.5 131.8 52.1 54.0 70.8 75 83 A R H > S+ 0 0 162 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.995 100.4 50.5 -69.2 -53.5 49.5 51.9 72.6 76 84 A K H > S+ 0 0 81 1,-0.3 4,-2.2 2,-0.3 5,-0.2 0.867 116.0 44.7 -47.3 -40.7 48.6 49.6 69.8 77 85 A L H > S+ 0 0 17 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.908 112.6 50.8 -74.4 -36.6 52.2 49.0 69.4 78 86 A E H X S+ 0 0 75 -4,-2.1 4,-0.7 2,-0.2 -2,-0.3 0.874 111.9 47.0 -67.1 -32.7 52.5 48.7 73.1 79 87 A K H >X S+ 0 0 123 -4,-3.1 4,-3.1 2,-0.2 3,-1.0 0.961 112.3 49.4 -67.8 -56.4 49.7 46.1 73.3 80 88 A I H 3< S+ 0 0 25 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.701 107.0 55.4 -54.7 -29.0 51.0 44.0 70.3 81 89 A R H 3< S+ 0 0 188 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.838 114.9 40.6 -75.7 -32.1 54.4 43.9 71.8 82 90 A Q H << S+ 0 0 139 -3,-1.0 -2,-0.2 -4,-0.7 -3,-0.1 0.967 88.1 104.2 -77.7 -60.4 52.8 42.4 74.9 83 91 A D X - 0 0 68 -4,-3.1 4,-3.1 1,-0.1 5,-0.2 0.112 56.3-157.2 -32.4 109.3 50.3 40.1 73.3 84 92 A D H > S+ 0 0 95 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.949 89.2 56.5 -59.0 -51.5 51.5 36.7 73.7 85 93 A T H > S+ 0 0 52 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.889 114.5 40.6 -48.0 -44.9 49.5 35.3 70.9 86 94 A S H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.908 111.7 54.9 -75.4 -30.6 51.0 37.7 68.7 87 95 A S H X S+ 0 0 50 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.938 107.9 55.2 -58.6 -42.2 54.5 37.3 70.3 88 96 A S H X S+ 0 0 12 -4,-3.6 4,-2.3 1,-0.2 3,-0.5 0.919 103.5 49.4 -56.3 -54.9 54.0 33.6 69.5 89 97 A I H X S+ 0 0 5 -4,-2.1 4,-1.4 1,-0.3 -1,-0.2 0.863 107.9 57.1 -58.6 -34.9 53.4 33.9 65.8 90 98 A N H < S+ 0 0 67 -4,-1.5 4,-0.3 -5,-0.2 -1,-0.3 0.906 113.1 39.5 -62.5 -37.6 56.4 36.1 65.6 91 99 A F H >< S+ 0 0 67 -4,-1.6 3,-1.8 -3,-0.5 -2,-0.2 0.903 109.1 54.1 -76.1 -53.5 58.5 33.4 67.0 92 100 A L H >< S+ 0 0 0 -4,-2.3 3,-2.4 1,-0.3 6,-0.3 0.879 99.2 68.7 -50.1 -39.3 57.2 30.2 65.4 93 101 A T T 3< S+ 0 0 39 -4,-1.4 4,-0.3 1,-0.3 -1,-0.3 0.748 82.5 71.3 -51.6 -33.1 57.8 31.8 62.1 94 102 A R T < S+ 0 0 116 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.3 0.578 75.0 101.6 -63.7 -12.3 61.5 31.7 62.6 95 103 A V S X S- 0 0 2 -3,-2.4 3,-2.0 -4,-0.2 2,-0.9 -0.599 89.8-110.1 -75.6 131.1 61.4 28.0 62.1 96 104 A S T 3 S+ 0 0 43 35,-0.4 35,-0.4 -2,-0.3 36,-0.2 -0.428 108.7 24.7 -65.6 108.5 62.5 27.2 58.6 97 105 A G T 3 S+ 0 0 33 -2,-0.9 2,-0.6 1,-0.4 -1,-0.3 0.040 94.8 110.1 132.5 -31.5 59.4 26.1 57.0 98 106 A I < + 0 0 9 -3,-2.0 -1,-0.4 -6,-0.3 3,-0.0 -0.671 43.2 179.3 -82.4 118.8 57.0 27.9 59.3 99 107 A G > - 0 0 26 -2,-0.6 4,-1.6 -3,-0.1 -4,-0.1 -0.264 44.8 -92.0-103.1-166.5 55.3 30.6 57.6 100 108 A P H > S+ 0 0 42 0, 0.0 4,-4.0 0, 0.0 5,-0.2 0.962 122.5 53.0 -72.9 -53.2 52.7 32.9 59.1 101 109 A S H > S+ 0 0 77 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.877 118.1 38.7 -45.5 -47.8 49.7 30.8 58.0 102 110 A A H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.890 110.4 59.2 -74.5 -36.2 51.2 28.0 59.6 103 111 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.921 111.3 43.8 -55.1 -45.8 52.5 30.0 62.5 104 112 A R H X S+ 0 0 52 -4,-4.0 4,-2.3 1,-0.2 -2,-0.2 0.927 109.1 53.7 -63.6 -55.1 49.0 30.9 63.2 105 113 A K H X S+ 0 0 102 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.855 108.8 50.9 -51.2 -41.6 47.4 27.5 62.8 106 114 A F H X>S+ 0 0 0 -4,-2.3 5,-3.7 1,-0.2 4,-1.2 0.932 109.4 50.1 -61.7 -44.9 49.9 26.0 65.3 107 115 A V H <5S+ 0 0 2 -4,-1.4 -1,-0.2 3,-0.3 -2,-0.2 0.885 105.6 60.2 -55.9 -43.7 49.1 28.6 67.8 108 116 A D H <5S+ 0 0 123 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.941 106.3 42.3 -50.5 -56.8 45.7 27.8 67.2 109 117 A E H <5S- 0 0 119 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.729 131.3 -98.4 -66.0 -17.4 46.1 24.4 68.2 110 118 A G T <5S+ 0 0 31 -4,-1.2 2,-1.1 1,-0.3 3,-0.3 0.608 74.1 143.0 110.7 15.1 48.2 25.8 71.1 111 119 A I < + 0 0 8 -5,-3.7 -1,-0.3 1,-0.2 -2,-0.1 -0.787 13.9 134.8 -92.2 108.6 51.7 25.4 69.7 112 120 A K + 0 0 74 -2,-1.1 -1,-0.2 -3,-0.1 2,-0.1 0.702 49.7 63.8-117.1 -46.4 53.5 28.3 70.9 113 121 A T S > S- 0 0 65 -3,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.333 80.2-117.0 -85.9 161.6 56.7 27.1 72.2 114 122 A L H > S+ 0 0 27 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.875 119.9 50.9 -62.7 -36.8 59.7 25.4 70.7 115 123 A E H > S+ 0 0 124 2,-0.2 4,-2.8 1,-0.2 3,-0.4 0.898 104.2 58.1 -69.3 -37.1 59.1 22.5 72.9 116 124 A D H > S+ 0 0 43 1,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.935 102.9 54.2 -56.7 -42.9 55.5 22.5 71.7 117 125 A L H < S+ 0 0 1 -4,-2.5 3,-0.4 1,-0.2 -1,-0.3 0.851 108.2 50.9 -60.1 -31.4 56.8 22.1 68.4 118 126 A R H >< S+ 0 0 125 -4,-1.0 3,-2.1 -3,-0.4 -2,-0.2 0.967 102.5 54.4 -71.3 -53.0 58.7 19.1 69.6 119 127 A K H 3< S+ 0 0 154 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.542 117.8 42.2 -60.7 -4.6 56.0 17.2 71.3 120 128 A N T >X + 0 0 35 -4,-0.5 3,-2.4 -3,-0.4 4,-0.5 -0.027 62.3 139.6-134.3 36.6 54.3 17.5 67.9 121 129 A E G X4 S+ 0 0 101 -3,-2.1 3,-0.5 1,-0.3 -2,-0.1 0.673 70.5 69.5 -50.8 -18.8 56.9 16.9 65.5 122 130 A D G 34 S+ 0 0 118 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.708 89.3 57.4 -67.9 -35.3 54.2 15.0 63.7 123 131 A K G <4 S+ 0 0 81 -3,-2.4 2,-0.3 -6,-0.1 -1,-0.2 0.544 98.3 82.6 -76.1 -9.4 52.2 18.0 62.8 124 132 A L S << S- 0 0 4 -4,-0.5 2,-0.1 -3,-0.5 5,-0.0 -0.723 73.9-136.3 -97.9 146.7 55.2 19.2 61.0 125 133 A N > - 0 0 87 -2,-0.3 4,-1.2 1,-0.0 5,-0.2 -0.341 40.2 -86.7 -91.6 178.9 56.4 18.3 57.5 126 134 A H H >> S+ 0 0 111 2,-0.2 4,-3.2 1,-0.2 3,-1.1 0.918 124.7 52.8 -48.7 -56.5 60.0 17.5 56.5 127 135 A H H 3> S+ 0 0 45 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.935 115.2 41.5 -46.3 -57.6 61.0 21.1 55.9 128 136 A Q H 3> S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.637 110.7 58.4 -68.1 -15.4 59.8 22.1 59.2 129 137 A R H < S+ 0 0 7 -4,-1.8 3,-1.0 -36,-0.2 -1,-0.2 0.811 113.1 57.4 -74.1 -29.6 63.1 22.7 63.8 133 141 A K H 3< S+ 0 0 130 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.971 115.3 33.4 -63.8 -53.0 65.8 20.2 64.1 134 142 A Y T 3X S+ 0 0 20 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 -0.060 79.4 132.1 -93.7 28.2 68.6 22.6 63.1 135 143 A F H <> S+ 0 0 27 -3,-1.0 4,-0.8 2,-0.2 -1,-0.2 0.853 75.4 42.6 -45.6 -48.0 66.9 25.6 64.8 136 144 A G H >> S+ 0 0 39 -3,-0.3 3,-2.9 -4,-0.2 4,-0.8 0.993 115.8 44.7 -64.7 -77.6 70.1 26.7 66.6 137 145 A D H 34 S+ 0 0 33 1,-0.3 109,-0.2 2,-0.2 -1,-0.2 0.689 108.7 62.8 -40.8 -24.4 72.6 26.2 63.7 138 146 A F H 3< S+ 0 0 38 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.860 101.6 47.0 -76.8 -26.4 70.2 27.9 61.5 139 147 A E H << S+ 0 0 98 -3,-2.9 -2,-0.2 -4,-0.8 -1,-0.2 0.692 94.3 93.9 -83.3 -22.3 70.2 31.2 63.2 140 148 A K S < S- 0 0 110 -4,-0.8 2,-0.1 1,-0.1 0, 0.0 -0.343 76.2-116.6 -72.1 151.4 74.0 31.4 63.5 141 149 A R - 0 0 135 -2,-0.1 40,-0.2 1,-0.0 -1,-0.1 -0.378 25.1-113.6 -84.0 165.4 76.2 33.2 60.9 142 150 A I E -A 180 0A 0 38,-5.2 38,-2.1 -2,-0.1 5,-0.1 -0.856 25.3-136.0-106.9 100.2 78.8 31.5 58.7 143 151 A P E >> -A 179 0A 37 0, 0.0 4,-2.0 0, 0.0 3,-1.5 -0.247 15.7-130.0 -52.3 131.4 82.5 32.6 59.5 144 152 A R H 3> S+ 0 0 61 34,-2.6 4,-2.6 1,-0.3 5,-0.2 0.823 108.2 69.4 -50.1 -39.3 84.2 33.2 56.2 145 153 A E H 3> S+ 0 0 120 33,-0.3 4,-0.7 1,-0.3 -1,-0.3 0.833 110.1 34.9 -41.1 -49.7 87.0 30.9 57.6 146 154 A E H <> S+ 0 0 27 -3,-1.5 4,-2.7 2,-0.2 -1,-0.3 0.732 110.1 65.3 -72.7 -39.2 84.4 28.1 57.2 147 155 A M H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.824 101.9 50.0 -55.4 -36.4 83.1 29.8 54.2 148 156 A L H X S+ 0 0 74 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.884 109.7 47.8 -72.4 -42.7 86.4 29.1 52.6 149 157 A Q H X S+ 0 0 65 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.926 113.3 48.9 -65.8 -42.5 86.6 25.4 53.5 150 158 A M H X S+ 0 0 2 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.935 110.9 49.5 -58.6 -52.1 83.0 24.8 52.3 151 159 A Q H X S+ 0 0 55 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.892 108.5 55.5 -56.5 -40.4 83.7 26.5 49.1 152 160 A D H X S+ 0 0 84 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.974 109.2 44.7 -54.5 -57.5 86.8 24.4 48.7 153 161 A I H X S+ 0 0 40 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.917 110.6 52.9 -56.1 -49.4 85.0 21.2 49.0 154 162 A V H X S+ 0 0 3 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.892 106.4 55.3 -56.8 -37.9 82.2 22.1 46.8 155 163 A L H X S+ 0 0 56 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.890 106.3 50.7 -58.7 -43.0 84.5 23.0 44.2 156 164 A N H X S+ 0 0 70 -4,-1.8 4,-3.5 -3,-0.3 -1,-0.2 0.906 108.5 45.6 -63.7 -50.7 86.2 19.8 44.1 157 165 A E H X S+ 0 0 22 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.943 110.3 56.2 -63.4 -41.9 83.4 17.4 43.8 158 166 A V H X S+ 0 0 7 -4,-1.9 4,-1.4 1,-0.3 7,-0.4 0.867 114.2 38.5 -52.1 -44.7 81.9 19.4 41.1 159 167 A K H < S+ 0 0 144 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.870 112.5 61.4 -72.5 -36.7 85.0 19.2 39.2 160 168 A K H < S+ 0 0 128 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.867 108.0 41.3 -54.4 -46.7 85.3 15.7 40.4 161 169 A V H < S- 0 0 51 -4,-3.0 2,-0.4 1,-0.3 -2,-0.2 0.992 135.9 -1.9 -69.4 -74.5 82.1 14.6 38.8 162 170 A D < - 0 0 49 -4,-1.4 3,-0.4 -5,-0.2 -1,-0.3 -0.938 59.4-150.5-118.4 149.5 82.3 16.4 35.5 163 171 A S S S+ 0 0 77 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.1 0.608 92.5 71.0 -87.8 -17.1 85.1 18.6 34.7 164 172 A E S S+ 0 0 113 -6,-0.1 -1,-0.2 -3,-0.1 -5,-0.1 0.566 74.6 114.6 -73.6 -12.8 83.0 20.7 32.5 165 173 A Y - 0 0 17 -3,-0.4 2,-0.5 -7,-0.4 24,-0.2 -0.316 49.4-159.6 -64.4 140.5 81.1 22.1 35.5 166 174 A I E +B 188 0B 58 22,-1.5 22,-1.4 -2,-0.1 2,-0.4 -0.981 15.7 178.7-122.9 122.6 81.3 25.7 36.3 167 175 A A E -B 187 0B 20 -2,-0.5 2,-0.5 20,-0.2 20,-0.2 -0.969 13.3-175.7-134.4 138.6 80.5 26.8 39.8 168 176 A T E -B 186 0B 31 18,-1.9 18,-3.1 -2,-0.4 2,-1.1 -0.940 22.3-144.8-133.8 121.6 80.4 30.0 41.8 169 177 A V E -B 185 0B 5 -2,-0.5 16,-0.3 16,-0.3 2,-0.1 -0.747 38.7-177.0 -81.3 109.0 79.7 30.6 45.3 170 178 A C E +B 184 0B 3 14,-2.3 14,-0.6 -2,-1.1 3,-0.4 -0.051 32.0 61.6 -91.7-169.5 77.9 33.9 45.0 171 179 A G S >> S- 0 0 11 1,-0.2 4,-1.3 2,-0.2 3,-0.5 -0.426 106.7 -26.8 86.5-166.2 76.5 36.4 47.6 172 180 A S T 34>S+ 0 0 29 1,-0.3 5,-1.0 2,-0.3 -1,-0.2 0.723 133.7 58.4 -57.3 -35.0 78.3 38.2 50.4 173 181 A F T >45S+ 0 0 11 -3,-0.4 3,-1.3 1,-0.2 -1,-0.3 0.903 107.5 49.7 -62.9 -41.4 81.1 35.7 50.7 174 182 A R T <45S+ 0 0 46 -3,-0.5 -2,-0.3 -4,-0.3 -1,-0.2 0.881 108.3 53.1 -62.5 -41.3 81.7 36.5 47.1 175 183 A R T 3<5S- 0 0 63 -4,-1.3 2,-0.3 90,-0.1 -1,-0.3 0.023 127.3 -98.3 -82.4 23.7 81.7 40.2 47.9 176 184 A G T < 5 + 0 0 35 -3,-1.3 -3,-0.2 1,-0.2 -4,-0.1 -0.160 63.2 167.0 89.9 -38.4 84.3 39.7 50.7 177 185 A A < - 0 0 32 -5,-1.0 -1,-0.2 -2,-0.3 146,-0.0 0.320 40.0-136.0 -17.6 118.0 82.0 39.6 53.7 178 186 A E S S+ 0 0 145 -35,-0.1 -34,-2.6 1,-0.1 2,-0.3 0.694 87.3 21.0 -53.9 -23.1 83.5 38.4 56.9 179 187 A S E -A 143 0A 46 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.995 65.7-161.7-149.3 153.6 80.4 36.2 57.5 180 188 A S E -A 142 0A 1 -38,-2.1 -38,-5.2 -2,-0.3 3,-0.1 -0.881 17.6-144.4-134.7 166.2 77.6 34.7 55.7 181 189 A G S S- 0 0 26 1,-0.4 65,-0.5 -2,-0.3 2,-0.3 0.844 82.9 -8.7 -95.9 -43.5 74.1 33.2 56.4 182 190 A D S S- 0 0 60 63,-0.1 2,-0.4 -40,-0.1 -1,-0.4 -0.948 76.4-108.5-145.1 159.5 73.7 30.4 54.0 183 191 A M E - c 0 247B 1 63,-2.3 65,-2.2 -2,-0.3 2,-0.6 -0.884 26.5-161.9-103.2 138.4 75.9 29.5 51.1 184 192 A D E -Bc 170 248B 29 -14,-0.6 -14,-2.3 -2,-0.4 2,-0.5 -0.903 5.8-173.0-116.3 103.2 74.7 30.0 47.5 185 193 A V E -Bc 169 249B 3 63,-2.4 65,-1.4 -2,-0.6 2,-0.7 -0.742 11.7-150.5 -93.4 129.5 76.4 28.2 44.7 186 194 A L E -Bc 168 250B 3 -18,-3.1 -18,-1.9 -2,-0.5 2,-0.3 -0.823 20.2-164.1-100.7 122.0 75.5 29.0 41.1 187 195 A L E +B 167 0B 2 63,-2.2 2,-0.3 -2,-0.7 -20,-0.2 -0.718 16.3 156.1-108.9 158.4 75.9 26.2 38.9 188 196 A T E -B 166 0B 0 -22,-1.4 -22,-1.5 -2,-0.3 5,-0.1 -0.960 16.5-160.9-161.0 174.2 76.1 25.7 35.2 189 197 A H B > -Fg 192 253C 10 63,-0.9 65,-1.1 3,-0.6 3,-1.0 -0.965 27.3-124.4-164.0 151.8 77.2 23.5 32.5 190 198 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.799 109.1 61.3 -67.2 -38.4 78.0 23.8 28.8 191 199 A S T 3 S+ 0 0 57 1,-0.1 2,-0.4 -3,-0.1 11,-0.0 0.567 102.9 66.0 -68.3 -8.3 75.7 21.1 27.8 192 200 A F B < +F 189 0C 17 -3,-1.0 62,-3.1 60,-0.2 -3,-0.6 -0.970 60.1 131.0-130.6 119.6 72.9 23.2 29.3 193 201 A T - 0 0 32 -2,-0.4 5,-0.2 60,-0.4 61,-0.1 -0.894 69.5 -58.5-151.4 169.5 71.7 26.5 28.0 194 202 A S S S+ 0 0 63 -2,-0.3 4,-0.1 59,-0.2 60,-0.0 0.585 128.6 23.0 -18.1 -58.2 68.5 28.4 27.0 195 203 A E S S+ 0 0 155 2,-0.1 3,-0.3 1,-0.0 -1,-0.1 0.971 89.8 98.9 -80.2 -77.0 67.3 25.9 24.3 196 204 A S S S- 0 0 43 1,-0.2 2,-0.5 3,-0.0 -3,-0.2 0.222 86.2-115.9 -20.9 89.3 68.9 22.4 25.0 197 205 A T - 0 0 136 -5,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.098 54.2 -86.6 -44.1 91.3 66.0 20.8 26.7 198 206 A K - 0 0 98 -2,-0.5 -5,-0.1 -3,-0.3 -3,-0.0 0.474 20.1-139.9 34.6-168.5 67.5 20.2 30.1 199 207 A Q > - 0 0 81 25,-0.2 3,-3.8 -7,-0.1 4,-0.5 -0.136 19.7-177.2 174.5 58.8 69.6 17.5 31.7 200 208 A P T >> S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.746 82.7 66.5 -38.2 -36.3 68.0 17.3 35.2 201 209 A K H 3> S+ 0 0 123 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.894 84.4 73.8 -55.2 -42.2 70.7 14.8 36.0 202 210 A L H <> S+ 0 0 2 -3,-3.8 4,-0.9 1,-0.3 -1,-0.3 0.821 105.1 35.7 -38.2 -49.7 73.1 17.7 35.6 203 211 A L H <> S+ 0 0 0 -3,-0.9 4,-1.8 -4,-0.5 -1,-0.3 0.927 117.2 54.8 -71.5 -42.2 71.9 19.0 38.9 204 212 A H H X S+ 0 0 47 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.872 97.4 61.0 -53.7 -52.7 71.4 15.6 40.4 205 213 A Q H X S+ 0 0 77 -4,-3.1 4,-2.0 1,-0.3 -1,-0.2 0.869 109.0 44.1 -46.1 -50.5 74.8 14.2 39.8 206 214 A V H X S+ 0 0 2 -4,-0.9 4,-2.8 -5,-0.3 5,-0.3 0.917 109.7 52.9 -64.8 -46.1 76.3 16.9 41.9 207 215 A V H X S+ 0 0 1 -4,-1.8 4,-1.3 1,-0.2 9,-0.2 0.935 110.3 50.9 -54.4 -45.0 73.9 16.7 44.7 208 216 A E H X S+ 0 0 117 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.903 109.5 49.0 -56.5 -51.1 74.5 13.0 44.9 209 217 A Q H X S+ 0 0 32 -4,-2.0 4,-2.1 -5,-0.2 5,-0.3 0.972 108.1 52.4 -57.7 -54.7 78.2 13.5 45.1 210 218 A L H <>S+ 0 0 2 -4,-2.8 5,-2.9 1,-0.3 6,-1.5 0.756 115.1 45.3 -54.2 -24.7 78.1 16.2 47.8 211 219 A Q H ><5S+ 0 0 71 -4,-1.3 3,-1.1 -5,-0.3 -1,-0.3 0.887 103.5 63.5 -80.3 -44.5 76.0 13.7 49.7 212 220 A K H 3<5S+ 0 0 149 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.899 109.2 39.8 -44.6 -54.1 78.3 10.9 48.9 213 221 A V T 3<5S- 0 0 57 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.569 121.0-108.4 -76.4 -12.6 81.1 12.4 50.7 214 222 A H T < 5S+ 0 0 144 -3,-1.1 -3,-0.2 -5,-0.3 -2,-0.1 0.800 83.0 121.0 88.3 29.0 78.7 13.6 53.5 215 223 A F S -g 189 0C 16 0, 0.0 3,-0.8 0, 0.0 -60,-0.4 -0.556 35.3-127.4 -66.0 110.1 71.8 27.5 31.3 254 262 A K G > S+ 0 0 59 -62,-3.1 3,-1.0 -65,-1.1 4,-0.3 0.651 105.0 69.7 -32.2 -31.1 75.4 28.5 30.5 255 263 A D G 3 S+ 0 0 72 1,-0.2 -1,-0.3 -63,-0.2 50,-0.1 0.177 109.1 34.5 -84.5 30.7 74.1 31.3 28.3 256 264 A Q G <> S+ 0 0 39 -3,-0.8 4,-1.5 -4,-0.1 -1,-0.2 0.249 82.8 107.6-161.5 13.6 72.9 33.2 31.4 257 265 A Y H X> S+ 0 0 3 -3,-1.0 4,-4.1 2,-0.2 3,-0.8 0.990 78.4 47.1 -60.4 -79.9 75.4 32.4 34.1 258 266 A Y H 3> S+ 0 0 39 1,-0.3 4,-4.4 -4,-0.3 5,-0.2 0.699 112.6 50.0 -33.4 -46.4 77.3 35.8 34.4 259 267 A C H 3> S+ 0 0 5 29,-0.3 4,-3.5 2,-0.3 -1,-0.3 0.970 119.2 36.8 -60.3 -54.7 74.1 37.9 34.5 260 268 A G H X S+ 0 0 4 -4,-4.4 3,-1.1 -5,-0.3 4,-0.6 0.987 113.2 48.9 -53.7 -60.7 76.3 39.2 38.4 263 271 A Y H >< S+ 0 0 70 -4,-3.5 3,-2.1 1,-0.3 -2,-0.2 0.838 105.9 49.0 -42.6 -66.3 73.0 39.5 40.0 264 272 A F H 3< S+ 0 0 63 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.648 104.6 63.6 -58.2 -19.9 73.2 37.2 43.0 265 273 A T H << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.729 88.5 135.8 -76.5 -25.3 76.4 38.8 43.9 266 274 A G << - 0 0 2 -3,-2.1 2,-0.2 -4,-0.6 -1,-0.2 -0.282 64.8-141.4 63.5-148.4 74.7 42.1 44.4 267 275 A S > - 0 0 9 59,-0.3 4,-2.6 -3,-0.1 5,-0.2 0.618 35.4-124.9 -68.5 179.1 74.9 44.1 46.4 268 276 A D H > S+ 0 0 133 -2,-0.2 4,-1.7 1,-0.2 -2,-0.1 0.912 113.4 39.0 -55.3 -41.5 71.2 44.9 46.4 269 277 A I H > S+ 0 0 78 57,-0.3 4,-3.4 2,-0.2 5,-0.3 0.933 111.5 54.7 -73.4 -49.7 72.2 48.5 45.7 270 278 A F H > S+ 0 0 0 55,-0.5 4,-3.0 1,-0.2 5,-0.2 0.875 109.6 51.2 -51.4 -38.6 75.1 47.9 43.4 271 279 A N H X S+ 0 0 9 -4,-2.6 4,-3.9 2,-0.2 -1,-0.2 0.986 111.6 43.6 -61.3 -60.2 72.8 45.9 41.3 272 280 A K H X S+ 0 0 143 -4,-1.7 4,-3.3 1,-0.2 5,-0.3 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