==== 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 8ICI . 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) . 18045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 67.3 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 . 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 . 13 4.0 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 . 123 37.6 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 2 1 1 3 1 1 0 1 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 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 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 0 214 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -26.1 67.2 58.1 56.8 2 10 A T + 0 0 130 3,-0.0 4,-0.2 4,-0.0 0, 0.0 0.253 360.0 67.9-156.8 -16.9 67.3 59.4 60.4 3 11 A L S S+ 0 0 64 1,-0.2 42,-0.3 36,-0.1 4,-0.2 0.850 115.7 26.8 -82.6 -34.4 65.0 62.4 60.3 4 12 A N S > S+ 0 0 6 35,-0.2 4,-2.5 1,-0.1 5,-0.3 0.320 91.2 118.6-112.8 16.9 62.0 60.3 59.7 5 13 A G H > S+ 0 0 15 2,-0.2 4,-4.2 1,-0.2 3,-0.2 0.855 71.7 42.4 -38.7 -78.4 63.2 57.1 61.4 6 14 A G H > S+ 0 0 36 1,-0.3 4,-5.3 -4,-0.2 5,-0.4 0.875 115.1 56.1 -42.7 -49.0 60.9 56.4 64.3 7 15 A I H > S+ 0 0 8 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.931 114.7 35.0 -51.1 -58.6 58.0 57.3 62.0 8 16 A T H X S+ 0 0 20 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.841 119.2 54.1 -67.6 -31.7 59.0 54.8 59.4 9 17 A D H X S+ 0 0 94 -4,-4.2 4,-2.4 -5,-0.3 -2,-0.2 0.983 109.7 43.1 -66.3 -49.4 60.1 52.5 62.0 10 18 A M H X S+ 0 0 6 -4,-5.3 4,-2.2 1,-0.2 -1,-0.2 0.881 115.1 56.8 -57.4 -37.0 56.8 52.6 63.9 11 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.4 -2,-0.2 0.896 108.6 40.4 -58.5 -53.5 55.3 52.3 60.4 12 20 A T H X S+ 0 0 56 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.849 111.4 59.6 -69.0 -34.4 57.0 49.1 59.3 13 21 A E H X S+ 0 0 93 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.977 110.6 43.2 -53.0 -54.7 56.4 47.6 62.9 14 22 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.870 112.5 50.8 -55.6 -50.0 52.7 48.1 62.3 15 23 A A H >X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 3,-1.2 0.958 109.2 52.1 -54.2 -57.0 52.6 46.8 58.8 16 24 A N H 3X S+ 0 0 79 -4,-2.5 4,-2.2 1,-0.3 5,-0.3 0.836 106.2 51.9 -50.0 -43.5 54.4 43.8 59.7 17 25 A F H 3<>S+ 0 0 33 -4,-1.9 5,-1.5 -5,-0.3 4,-0.4 0.841 107.0 55.6 -70.4 -25.1 52.2 43.0 62.4 18 26 A E H <<5S+ 0 0 6 -4,-1.3 6,-0.9 -3,-1.2 4,-0.4 0.998 112.9 38.7 -66.2 -58.5 49.2 43.4 60.0 19 27 A K H <5S+ 0 0 86 -4,-2.0 -2,-0.2 5,-0.2 -1,-0.2 0.873 124.6 41.0 -54.8 -43.0 50.4 40.9 57.5 20 28 A N T <5S+ 0 0 25 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.989 127.1 21.2 -75.8 -79.9 51.8 38.4 60.2 21 29 A V T 5S+ 0 0 29 -4,-0.4 2,-0.2 -5,-0.3 -3,-0.2 0.956 132.3 38.5 -58.0 -52.4 49.4 38.2 63.1 22 30 A S S + 0 0 26 -6,-0.9 4,-2.8 -2,-0.4 5,-0.3 -0.622 21.4 168.9-105.5 72.6 45.3 42.1 56.4 25 33 A I H > S+ 0 0 101 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.812 77.5 58.8 -48.5 -33.9 47.4 42.4 53.3 26 34 A H H > S+ 0 0 149 2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.992 108.0 37.5 -62.2 -66.7 45.6 45.7 52.7 27 35 A K H > S+ 0 0 109 1,-0.3 4,-2.2 2,-0.3 3,-0.4 0.896 118.1 54.3 -52.2 -42.9 46.4 47.6 55.9 28 36 A Y H X S+ 0 0 35 -4,-2.8 4,-1.1 1,-0.3 -1,-0.3 0.895 106.1 48.7 -60.5 -37.5 49.7 46.1 55.7 29 37 A N H X S+ 0 0 82 -4,-1.9 4,-1.2 -3,-0.4 -1,-0.3 0.762 111.8 55.3 -72.2 -22.4 50.1 47.3 52.2 30 38 A A H >X S+ 0 0 30 -4,-1.5 4,-2.2 -3,-0.4 3,-1.4 0.995 103.7 48.3 -68.1 -71.5 49.0 50.7 53.6 31 39 A Y H 3X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.742 112.7 56.5 -37.2 -36.2 51.5 51.2 56.5 32 40 A R H 3X S+ 0 0 138 -4,-1.1 4,-1.5 -5,-0.4 -1,-0.3 0.863 103.9 43.9 -74.6 -42.0 54.1 50.3 53.9 33 41 A K H X S+ 0 0 35 -4,-2.7 3,-2.6 2,-0.2 4,-1.6 0.968 111.8 54.3 -67.0 -62.5 56.9 58.0 51.3 38 46 A I H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.2 0.793 105.8 62.5 -41.9 -29.2 57.5 59.6 54.8 39 47 A A H 3< S+ 0 0 43 -4,-0.7 -1,-0.3 -5,-0.5 -2,-0.2 0.862 104.2 42.4 -63.3 -43.8 60.9 57.9 54.2 40 48 A K H << S+ 0 0 168 -3,-2.6 -2,-0.2 -4,-0.5 -1,-0.2 0.902 89.0 115.1 -72.0 -44.7 61.7 60.0 51.2 41 49 A Y < - 0 0 52 -4,-1.6 4,-0.1 1,-0.2 -38,-0.1 -0.043 61.0-143.7 -42.9 124.4 60.4 63.3 52.7 42 50 A P + 0 0 83 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.071 69.0 60.6 -75.2 13.6 63.0 65.8 53.2 43 51 A H S S- 0 0 110 -39,-0.0 2,-0.5 0, 0.0 -2,-0.0 -0.998 90.0 -89.5-151.0 156.9 61.9 67.3 56.4 44 52 A K - 0 0 114 -2,-0.4 2,-0.4 1,-0.1 -40,-0.1 -0.418 46.4-126.0 -63.1 115.8 61.2 66.5 60.0 45 53 A I - 0 0 7 -2,-0.5 -1,-0.1 -42,-0.3 3,-0.1 -0.436 27.6-173.1 -67.4 124.0 57.6 65.6 60.1 46 54 A K - 0 0 145 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.651 56.0 -19.2 -93.0 -14.1 56.1 67.8 62.7 47 55 A S S > S- 0 0 36 1,-0.2 4,-1.7 22,-0.0 -1,-0.2 -0.985 73.7 -81.9-174.1 179.9 52.6 66.4 63.1 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-4.2 1,-0.2 3,-0.4 0.987 120.3 55.1 -62.9 -55.9 50.0 64.4 61.5 49 57 A A H > S+ 0 0 68 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.826 105.8 49.5 -46.0 -44.2 48.7 67.0 59.4 50 58 A E H 4 S+ 0 0 42 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.938 118.4 41.8 -60.1 -44.0 52.0 67.8 57.7 51 59 A A H >< S+ 0 0 0 -4,-1.7 3,-2.8 -3,-0.4 -2,-0.2 0.890 104.7 67.0 -63.4 -46.8 52.4 64.1 57.1 52 60 A K H 3< S+ 0 0 92 -4,-4.2 -1,-0.2 1,-0.3 -2,-0.2 0.765 84.8 70.3 -45.5 -39.0 48.8 63.9 56.1 53 61 A K T 3< S+ 0 0 168 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.721 85.0 102.5 -55.7 -23.3 49.4 66.0 53.0 54 62 A L S X S- 0 0 34 -3,-2.8 3,-0.8 -4,-0.2 2,-0.5 -0.190 85.6-105.4 -67.4 158.6 51.3 63.0 51.8 55 63 A P T 3 S+ 0 0 96 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.683 111.7 22.2 -81.3 130.4 50.1 60.5 49.3 56 64 A G T 3 S+ 0 0 32 -2,-0.5 2,-1.3 1,-0.2 -22,-0.2 0.173 96.7 119.7 94.1 -14.7 49.2 57.4 51.2 57 65 A V < + 0 0 7 -3,-0.8 -1,-0.2 -5,-0.2 2,-0.1 -0.627 39.2 170.1 -91.2 96.9 48.8 59.4 54.2 58 66 A G > - 0 0 25 -2,-1.3 4,-1.8 -3,-0.1 5,-0.2 -0.188 51.6 -93.4 -89.2-172.2 45.4 59.0 55.5 59 67 A T H > S+ 0 0 82 2,-0.2 4,-1.0 3,-0.2 5,-0.1 0.777 119.4 60.6 -70.6 -32.5 43.8 60.1 58.7 60 68 A K H > S+ 0 0 132 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.978 114.3 31.3 -61.7 -55.9 44.5 56.7 60.2 61 69 A I H >> S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.863 114.5 60.4 -69.9 -39.5 48.3 56.8 60.0 62 70 A A H 3X S+ 0 0 6 -4,-1.8 4,-1.7 1,-0.3 -1,-0.2 0.820 104.3 53.7 -58.4 -28.2 48.4 60.5 60.4 63 71 A E H 3X S+ 0 0 124 -4,-1.0 4,-1.8 2,-0.2 -1,-0.3 0.857 104.7 50.4 -77.6 -30.6 46.8 59.9 63.6 64 72 A K H - 0 0 2 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.873 13.5-140.1-167.0 129.1 52.2 54.1 70.7 75 83 A R H > S+ 0 0 163 -2,-0.2 4,-3.9 1,-0.2 3,-0.5 0.994 102.5 51.8 -63.6 -54.6 49.5 52.0 72.5 76 84 A K H > S+ 0 0 80 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.828 113.6 45.3 -48.7 -35.9 48.9 49.6 69.7 77 85 A L H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.860 114.0 48.4 -79.4 -30.9 52.5 48.9 69.5 78 86 A E H X S+ 0 0 77 -4,-1.9 4,-0.7 -3,-0.5 -2,-0.2 0.938 115.1 46.7 -70.0 -38.6 52.7 48.6 73.2 79 87 A K H >X S+ 0 0 125 -4,-3.9 4,-2.2 2,-0.2 3,-1.3 0.958 114.5 44.3 -63.0 -57.2 49.7 46.3 73.1 80 88 A I H 3< S+ 0 0 19 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.2 0.888 109.3 59.1 -55.6 -42.7 51.0 44.0 70.1 81 89 A R H 3< S+ 0 0 184 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.777 111.2 41.1 -59.5 -26.8 54.4 43.9 71.7 82 90 A Q H << S+ 0 0 139 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.965 88.4 103.4 -83.1 -60.2 52.7 42.4 74.8 83 91 A D X - 0 0 71 -4,-2.2 4,-3.1 1,-0.1 5,-0.2 0.149 54.8-159.0 -30.1 109.3 50.3 40.0 73.1 84 92 A D H > S+ 0 0 92 2,-0.2 4,-4.1 1,-0.2 5,-0.3 0.938 88.7 59.3 -63.0 -43.9 51.6 36.6 73.4 85 93 A T H > S+ 0 0 49 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.936 113.6 38.5 -48.6 -50.8 49.5 35.3 70.5 86 94 A S H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.919 114.2 54.9 -69.5 -37.3 51.1 37.8 68.4 87 95 A S H X S+ 0 0 50 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.880 108.4 52.3 -60.1 -36.8 54.5 37.2 70.1 88 96 A S H X S+ 0 0 14 -4,-4.1 4,-2.1 1,-0.2 3,-0.4 0.896 103.8 53.1 -66.3 -44.5 54.2 33.6 69.3 89 97 A I H X S+ 0 0 5 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.838 106.6 56.2 -61.9 -32.0 53.4 34.0 65.7 90 98 A N H < S+ 0 0 66 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.871 112.3 39.3 -64.1 -39.2 56.5 36.0 65.5 91 99 A F H >< S+ 0 0 64 -4,-1.3 3,-3.0 -3,-0.4 4,-0.3 0.906 109.1 55.1 -75.2 -58.3 58.8 33.4 66.9 92 100 A L H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.3 -2,-0.1 0.848 98.8 68.3 -47.7 -36.1 57.4 30.2 65.3 93 101 A T T 3< S+ 0 0 40 -4,-1.0 5,-0.3 -5,-0.3 -1,-0.3 0.728 85.0 69.6 -57.6 -25.6 57.9 31.9 62.1 94 102 A R T < S+ 0 0 113 -3,-3.0 2,-0.3 2,-0.1 -1,-0.3 0.656 74.4 97.8 -70.7 -20.7 61.7 31.7 62.6 95 103 A V S X S- 0 0 2 -3,-2.0 3,-2.0 -4,-0.3 2,-0.2 -0.529 92.1-107.5 -70.0 128.7 61.7 28.0 62.1 96 104 A S T 3 S+ 0 0 40 35,-0.4 35,-0.3 -2,-0.3 36,-0.1 -0.437 106.1 27.4 -61.1 125.1 62.6 27.4 58.6 97 105 A G T 3 S+ 0 0 36 -2,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.402 95.9 107.7 103.8 2.3 59.6 26.2 56.7 98 106 A I < + 0 0 8 -3,-2.0 -1,-0.2 -5,-0.3 -3,-0.0 -0.960 42.2 175.0-122.8 114.9 57.1 28.0 58.9 99 107 A G > - 0 0 32 -2,-0.6 4,-1.7 -3,-0.1 -4,-0.1 -0.237 49.4 -87.0 -98.2-174.5 55.5 30.9 57.4 100 108 A P H > S+ 0 0 38 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.850 121.5 62.4 -66.7 -44.8 52.8 33.0 59.0 101 109 A S H > S+ 0 0 86 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.894 112.7 35.4 -51.8 -45.2 50.0 30.9 57.8 102 110 A A H > S+ 0 0 15 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.845 110.2 62.5 -80.1 -33.3 51.3 27.9 59.6 103 111 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.908 106.6 48.0 -58.6 -39.8 52.5 29.9 62.5 104 112 A R H X S+ 0 0 53 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.972 111.0 48.0 -62.9 -53.7 48.9 30.9 63.1 105 113 A K H X S+ 0 0 101 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.895 112.0 49.9 -54.0 -45.5 47.4 27.5 62.8 106 114 A F H X>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.3 4,-2.0 0.967 110.0 50.6 -58.9 -50.4 50.0 26.1 65.2 107 115 A V H <5S+ 0 0 3 -4,-2.1 -1,-0.3 3,-0.3 -2,-0.2 0.832 107.0 56.9 -54.4 -37.9 49.3 28.7 67.6 108 116 A D H <5S+ 0 0 129 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.991 107.1 44.0 -61.1 -58.1 45.8 27.9 67.2 109 117 A E H <5S- 0 0 116 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.788 130.1-102.8 -56.3 -22.4 46.2 24.3 68.2 110 118 A G T <5S+ 0 0 29 -4,-2.0 2,-1.0 -5,-0.3 3,-0.3 0.712 72.6 144.8 108.6 19.9 48.4 25.8 70.9 111 119 A I < + 0 0 6 -5,-2.7 -1,-0.3 1,-0.2 -19,-0.1 -0.815 17.0 139.7 -89.8 108.4 52.0 25.2 69.6 112 120 A K + 0 0 76 -2,-1.0 -1,-0.2 -3,-0.1 -20,-0.2 0.714 49.8 54.9-120.6 -41.3 53.6 28.3 70.9 113 121 A T S > S- 0 0 66 -3,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.477 84.8-111.4 -95.9 166.2 57.0 27.3 72.1 114 122 A L H > S+ 0 0 29 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.853 121.7 55.1 -60.0 -35.8 59.9 25.4 70.5 115 123 A E H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.839 102.7 54.6 -70.1 -32.8 59.1 22.7 72.9 116 124 A D H > S+ 0 0 41 1,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.952 105.5 53.1 -65.9 -42.3 55.5 22.5 71.7 117 125 A L H >< S+ 0 0 1 -4,-2.5 3,-0.6 1,-0.2 -1,-0.3 0.872 107.9 53.9 -58.6 -34.6 56.9 22.1 68.3 118 126 A R H >< S+ 0 0 124 -4,-1.4 3,-1.9 1,-0.2 -2,-0.2 0.960 103.6 49.6 -64.1 -55.6 58.8 19.3 69.7 119 127 A K H 3< S+ 0 0 148 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.511 118.5 45.4 -61.9 -5.0 56.1 17.2 71.2 120 128 A N T X< + 0 0 36 -4,-0.6 3,-2.4 -3,-0.6 -1,-0.3 -0.028 61.6 138.3-130.2 35.2 54.4 17.6 68.0 121 129 A E G X + 0 0 100 -3,-1.9 3,-1.8 1,-0.3 -1,-0.1 0.775 68.3 73.2 -49.7 -25.7 56.9 16.9 65.4 122 130 A D G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.751 86.9 59.1 -59.0 -31.6 54.2 15.0 63.7 123 131 A K G < S+ 0 0 80 -3,-2.4 2,-0.4 -6,-0.2 -1,-0.3 0.518 95.4 84.3 -78.7 -2.9 52.3 18.1 62.7 124 132 A L S < S- 0 0 4 -3,-1.8 2,-0.0 -4,-0.3 0, 0.0 -0.836 72.3-134.2-106.1 141.8 55.3 19.3 60.8 125 133 A N > - 0 0 88 -2,-0.4 4,-2.3 -28,-0.1 5,-0.2 -0.233 42.1 -85.6 -80.9 176.0 56.4 18.4 57.3 126 134 A H H > S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.883 126.3 49.6 -46.0 -52.6 60.0 17.5 56.2 127 135 A H H > S+ 0 0 38 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.965 114.8 43.3 -53.2 -57.8 61.2 21.0 55.8 128 136 A Q H > S+ 0 0 15 -31,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.790 109.8 58.6 -61.0 -26.7 59.9 22.2 59.1 129 137 A R H X S+ 0 0 100 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.960 112.3 39.0 -69.6 -44.7 61.2 19.0 60.7 130 138 A I H X S+ 0 0 4 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.918 112.7 56.2 -68.6 -41.4 64.6 19.8 59.6 131 139 A G H < S+ 0 0 1 -4,-3.3 -35,-0.4 -35,-0.3 -1,-0.2 0.854 112.1 44.3 -58.4 -33.6 64.1 23.5 60.3 132 140 A L H >< S+ 0 0 8 -4,-1.9 3,-1.1 -5,-0.3 -1,-0.2 0.878 110.4 54.4 -79.6 -35.8 63.2 22.5 63.8 133 141 A K H 3< S+ 0 0 127 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.968 117.0 34.9 -56.9 -60.9 66.1 20.1 64.1 134 142 A Y T 3X S+ 0 0 21 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 -0.025 78.8 132.7 -86.3 29.0 68.8 22.6 63.1 135 143 A F H <> S+ 0 0 26 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.863 76.6 39.3 -45.0 -53.5 67.1 25.6 64.9 136 144 A G H >> S+ 0 0 41 -3,-0.4 3,-1.5 1,-0.2 4,-0.9 0.999 117.1 50.1 -63.1 -65.2 70.2 26.8 66.7 137 145 A D H 34 S+ 0 0 33 1,-0.3 3,-0.3 2,-0.2 -2,-0.2 0.768 108.5 52.7 -43.8 -34.9 72.6 26.1 63.7 138 146 A F H 3< S+ 0 0 43 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.857 104.9 55.1 -73.8 -30.5 70.3 28.0 61.2 139 147 A E H << S+ 0 0 101 -3,-1.5 -1,-0.2 -4,-1.1 -2,-0.2 0.713 92.7 93.5 -70.7 -24.3 70.2 31.0 63.3 140 148 A K S < S- 0 0 109 -4,-0.9 2,-0.1 -3,-0.3 -4,-0.0 -0.428 76.9-118.2 -76.5 141.9 74.1 31.3 63.4 141 149 A R - 0 0 143 -2,-0.1 40,-0.2 1,-0.1 -1,-0.1 -0.378 27.7-117.8 -74.7 155.5 76.2 33.3 61.0 142 150 A I E -A 180 0A 0 38,-5.6 38,-1.6 -2,-0.1 40,-0.1 -0.853 24.2-134.5 -99.1 109.6 78.8 31.5 58.7 143 151 A P E >> -A 179 0A 41 0, 0.0 3,-2.2 0, 0.0 4,-1.8 -0.434 11.4-133.6 -64.4 136.8 82.4 32.6 59.5 144 152 A R H 3> S+ 0 0 63 34,-2.8 4,-2.7 1,-0.3 5,-0.2 0.830 105.4 72.3 -51.1 -41.0 84.2 33.2 56.2 145 153 A E H 34 S+ 0 0 124 33,-0.3 4,-0.5 1,-0.3 -1,-0.3 0.778 111.3 30.9 -44.0 -37.5 87.1 31.1 57.7 146 154 A E H <> S+ 0 0 26 -3,-2.2 4,-2.6 2,-0.2 -1,-0.3 0.686 108.1 69.8 -90.4 -32.4 84.6 28.1 57.1 147 155 A M H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.897 100.8 51.0 -52.2 -40.8 83.0 29.7 54.1 148 156 A L H X S+ 0 0 75 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.891 108.4 47.2 -64.8 -46.8 86.3 29.0 52.5 149 157 A Q H > S+ 0 0 64 -4,-0.5 4,-2.2 -5,-0.2 -1,-0.2 0.814 114.2 49.2 -67.6 -29.6 86.6 25.4 53.4 150 158 A M H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.937 111.2 47.7 -70.9 -49.7 83.1 24.8 52.3 151 159 A Q H X S+ 0 0 57 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.850 110.4 56.9 -57.0 -36.1 83.7 26.5 49.0 152 160 A D H X S+ 0 0 84 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.965 107.5 44.9 -61.0 -54.4 86.7 24.5 48.8 153 161 A I H X S+ 0 0 35 -4,-2.2 4,-2.0 1,-0.2 3,-0.3 0.921 111.3 49.5 -54.9 -54.3 85.0 21.3 49.1 154 162 A V H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.878 107.3 58.2 -56.8 -39.0 82.2 21.9 46.8 155 163 A L H X S+ 0 0 54 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.895 105.9 48.8 -56.4 -43.6 84.6 23.1 44.2 156 164 A N H X S+ 0 0 79 -4,-1.6 4,-3.0 -3,-0.3 -1,-0.2 0.889 109.1 47.6 -61.7 -52.8 86.4 19.9 44.2 157 165 A E H X S+ 0 0 23 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.937 108.0 56.7 -60.3 -45.8 83.7 17.5 43.9 158 166 A V H X S+ 0 0 5 -4,-1.9 4,-1.7 1,-0.3 7,-0.3 0.900 111.1 44.5 -47.8 -51.0 82.0 19.4 41.1 159 167 A K H < S+ 0 0 139 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.928 109.1 57.1 -60.7 -48.9 85.2 19.1 39.2 160 168 A K H < S+ 0 0 135 -4,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.915 109.0 46.2 -52.7 -45.8 85.6 15.5 40.1 161 169 A V H < S- 0 0 49 -4,-2.8 2,-0.4 1,-0.3 -2,-0.2 0.992 134.5 -5.0 -64.4 -71.4 82.3 14.6 38.6 162 170 A D >< - 0 0 46 -4,-1.7 3,-0.6 -5,-0.1 -1,-0.3 -0.955 58.7-150.4-121.8 144.1 82.4 16.4 35.3 163 171 A S T 3 S+ 0 0 82 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.672 92.7 69.2 -83.8 -16.8 85.3 18.7 34.5 164 172 A E T 3 S+ 0 0 112 -6,-0.1 2,-0.3 -5,-0.1 -1,-0.2 0.417 75.1 111.6 -77.3 -7.7 83.1 20.8 32.4 165 173 A Y < - 0 0 17 -3,-0.6 2,-0.5 -7,-0.3 24,-0.2 -0.590 50.3-161.3 -79.0 135.0 81.2 22.1 35.4 166 174 A I E +B 188 0B 53 22,-0.9 22,-1.7 -2,-0.3 2,-0.4 -0.944 13.5 178.6-113.4 126.3 81.6 25.8 36.4 167 175 A A E -B 187 0B 21 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.967 9.3-172.4-131.8 147.4 80.6 26.8 39.9 168 176 A T E -B 186 0B 27 18,-1.5 18,-2.6 -2,-0.4 2,-1.2 -0.995 24.0-135.2-139.9 135.8 80.6 30.1 41.7 169 177 A V E -B 185 0B 4 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.773 36.2-170.5 -89.5 106.5 80.0 30.8 45.1 170 178 A C + 0 0 3 14,-2.5 14,-0.5 -2,-1.2 3,-0.3 0.022 35.6 59.6 -81.0-163.6 77.8 33.8 44.9 171 179 A G S > S- 0 0 16 93,-0.6 4,-0.7 1,-0.2 3,-0.3 -0.332 104.7 -38.6 85.4-166.9 76.6 36.2 47.7 172 180 A S T 4>S+ 0 0 33 1,-0.3 5,-1.1 2,-0.2 -1,-0.2 0.675 131.9 63.5 -69.3 -25.8 78.5 38.4 50.2 173 181 A F T >45S+ 0 0 11 -3,-0.3 3,-1.1 1,-0.2 -1,-0.3 0.846 103.3 50.9 -67.5 -31.7 81.1 35.8 50.7 174 182 A R T 345S+ 0 0 50 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.836 108.7 52.0 -68.8 -35.9 81.8 36.5 47.1 175 183 A R T 3<5S- 0 0 62 -4,-0.7 -1,-0.2 147,-0.1 -2,-0.2 0.187 128.9 -93.5 -85.3 9.4 81.9 40.2 47.9 176 184 A G T < 5 + 0 0 35 -3,-1.1 -3,-0.2 1,-0.2 -4,-0.1 -0.194 63.8 169.3 108.9 -42.7 84.5 39.8 50.8 177 185 A A < - 0 0 29 -5,-1.1 -1,-0.2 1,-0.1 3,-0.1 0.481 37.5-137.9 -7.7 128.7 82.1 39.5 53.8 178 186 A E S S+ 0 0 144 -35,-0.1 -34,-2.8 1,-0.1 -33,-0.3 0.831 87.5 9.0 -68.1 -31.2 83.5 38.4 57.0 179 187 A S E -A 143 0A 42 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.917 68.5-160.3-141.4 165.0 80.5 36.2 57.7 180 188 A S E -A 142 0A 2 -38,-1.6 -38,-5.6 -2,-0.3 3,-0.1 -0.927 22.0-131.8-144.6 165.9 77.6 34.9 55.6 181 189 A G S S- 0 0 32 1,-0.3 65,-0.4 -2,-0.3 2,-0.3 0.809 81.2 -20.5 -89.7 -33.6 74.2 33.4 56.4 182 190 A D S S- 0 0 65 63,-0.1 2,-0.6 -40,-0.1 -1,-0.3 -0.968 73.7 -86.4-164.6 168.7 74.3 30.5 54.0 183 191 A M E - c 0 247B 1 63,-2.1 65,-2.0 -2,-0.3 2,-0.7 -0.782 27.7-167.5 -99.1 129.8 75.9 29.2 50.9 184 192 A D E - c 0 248B 23 -2,-0.6 -14,-2.5 -14,-0.5 2,-0.8 -0.761 5.2-174.8-111.7 90.5 74.8 30.0 47.4 185 193 A V E -Bc 169 249B 2 63,-2.5 65,-1.8 -2,-0.7 -16,-0.2 -0.684 8.6-159.1 -88.2 111.7 76.4 27.9 44.7 186 194 A L E -Bc 168 250B 3 -18,-2.6 -18,-1.5 -2,-0.8 2,-0.4 -0.561 19.8-168.4 -82.1 146.9 75.5 29.0 41.1 187 195 A L E +Bc 167 251B 1 63,-1.7 65,-1.6 -2,-0.2 2,-0.3 -0.971 20.1 152.6-148.0 151.0 75.9 26.4 38.5 188 196 A T E -Bc 166 252B 0 -22,-1.7 -22,-0.9 -2,-0.4 5,-0.1 -0.858 18.0-152.7-151.4-174.4 76.1 25.6 34.9 189 197 A H E > -Dc 192 253B 11 63,-0.7 3,-2.3 3,-0.6 65,-0.8 -0.933 28.0-121.9-167.3 143.4 77.4 23.4 32.3 190 198 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.918 111.5 62.8 -55.5 -45.7 78.2 23.8 28.7 191 199 A S T 3 S+ 0 0 59 1,-0.1 2,-0.4 -3,-0.1 -3,-0.0 0.555 101.0 67.1 -59.6 -6.2 75.9 21.1 27.8 192 200 A F B < +D 189 0B 16 -3,-2.3 62,-3.8 60,-0.2 -3,-0.6 -0.929 59.1 134.7-134.6 115.3 73.0 23.3 29.2 193 201 A T - 0 0 34 -2,-0.4 5,-0.3 60,-0.4 61,-0.0 -0.806 69.3 -61.7-140.9 175.2 71.7 26.5 27.8 194 202 A S S S+ 0 0 63 -2,-0.2 4,-0.0 1,-0.1 -2,-0.0 0.660 129.7 22.0 -30.1 -43.2 68.5 28.4 27.0 195 203 A E S S+ 0 0 145 2,-0.1 3,-0.3 1,-0.0 -1,-0.1 0.913 87.0 102.2 -93.7 -72.8 67.4 25.7 24.3 196 204 A S S S- 0 0 44 1,-0.2 2,-0.9 3,-0.0 -3,-0.2 0.165 87.2-112.9 -20.7 82.1 69.1 22.3 25.0 197 205 A T - 0 0 134 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 0.150 56.1 -87.9 -26.4 66.8 66.1 20.5 26.6 198 206 A K - 0 0 105 -2,-0.9 -5,-0.1 -5,-0.3 -3,-0.0 0.246 23.4-138.6 52.8-178.2 67.5 20.2 30.0 199 207 A Q >> - 0 0 81 25,-0.2 3,-1.2 -7,-0.1 4,-0.7 -0.411 17.7-175.7 176.4 80.8 69.7 17.5 31.7 200 208 A P H >> S+ 0 0 49 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.837 81.9 67.4 -58.9 -35.1 68.2 17.2 35.2 201 209 A K H 3> S+ 0 0 134 1,-0.2 4,-5.3 2,-0.2 5,-0.4 0.856 85.2 73.3 -54.0 -37.0 70.9 14.8 36.0 202 210 A L H <> S+ 0 0 4 -3,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.920 106.1 33.3 -45.0 -54.7 73.2 17.8 35.7 203 211 A L H S+ 0 0 2 -4,-2.7 5,-2.9 1,-0.3 6,-1.0 0.798 115.3 47.3 -50.3 -33.5 78.3 16.1 47.7 211 219 A Q H ><5S+ 0 0 73 -4,-2.3 3,-1.1 -5,-0.3 -1,-0.3 0.892 102.3 63.0 -72.4 -44.1 76.1 13.7 49.6 212 220 A K H 3<5S+ 0 0 150 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.909 109.4 39.7 -45.5 -55.2 78.3 10.8 48.8 213 221 A V T 3<5S- 0 0 59 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.518 119.3-111.5 -76.0 -9.1 81.1 12.3 50.7 214 222 A H T < 5S+ 0 0 139 -3,-1.1 -3,-0.2 -5,-0.3 -2,-0.1 0.764 82.2 121.0 84.2 25.2 78.9 13.6 53.4 215 223 A F S - 0 0 21 1,-0.2 3,-0.6 -3,-0.1 6,-0.1 -0.691 39.7-134.2 -80.4 94.2 84.0 17.6 62.2 236 244 A K T 3 - 0 0 107 -2,-1.5 2,-1.1 1,-0.2 -1,-0.2 0.801 55.6 -33.4 -13.4-144.7 87.7 17.3 62.5 237 245 A N T 3 S- 0 0 157 1,-0.2 -1,-0.2 -3,-0.1 4,-0.1 -0.562 104.9 -93.8 -95.5 61.3 89.8 15.3 64.9 238 246 A D S < S+ 0 0 95 -2,-1.1 -1,-0.2 -3,-0.6 -2,-0.1 0.755 100.1 81.6 34.7 161.5 87.0 15.7 67.5 239 247 A E S S+ 0 0 192 -3,-0.1 2,-0.3 -4,-0.1 -1,-0.1 0.013 100.4 63.3 102.3 -13.0 86.1 18.0 70.4 240 248 A K + 0 0 125 -5,-0.0 2,-0.2 2,-0.0 -2,-0.1 -0.856 63.2 177.1-144.1 102.8 84.8 20.3 67.7 241 249 A E - 0 0 124 -2,-0.3 -6,-0.0 -6,-0.1 -4,-0.0 -0.623 31.7-110.4 -98.0 158.1 81.9 19.4 65.4 242 250 A Y - 0 0 39 -9,-0.5 2,-0.2 -2,-0.2 -7,-0.1 -0.563 25.1-109.3 -94.0 161.8 80.6 21.8 62.8 243 251 A P - 0 0 23 0, 0.0 -10,-0.4 0, 0.0 2,-0.3 -0.599 38.6-104.6 -83.6 150.9 77.2 23.6 62.7 244 252 A H - 0 0 22 -2,-0.2 2,-0.4 -12,-0.1 -12,-0.2 -0.602 43.4-158.3 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