==== 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 15-DEC-95 8ICN . 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) . 18034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 67.6 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 . 28 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 126 38.5 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 1 0 3 2 1 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 . 1 2 0 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 0 219 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -26.6 67.2 58.1 56.8 2 10 A T + 0 0 124 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.254 360.0 68.8-156.2 -15.3 67.3 59.4 60.4 3 11 A L S S+ 0 0 66 1,-0.2 42,-0.2 36,-0.1 4,-0.2 0.882 116.1 24.6 -82.7 -36.6 65.0 62.3 60.2 4 12 A N S > S+ 0 0 6 35,-0.2 4,-2.0 1,-0.1 5,-0.3 0.355 91.6 122.4-109.5 13.4 61.9 60.3 59.7 5 13 A G H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.786 73.5 39.5 -34.4 -68.6 63.4 57.2 61.3 6 14 A G H > S+ 0 0 38 -4,-0.3 4,-4.4 1,-0.2 5,-0.4 0.896 113.7 60.5 -57.4 -38.2 60.9 56.4 64.2 7 15 A I H > S+ 0 0 8 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.882 111.5 35.7 -56.2 -42.2 58.2 57.4 61.9 8 16 A T H X S+ 0 0 17 -4,-2.0 4,-3.7 -3,-0.5 -1,-0.3 0.796 117.4 52.6 -82.8 -32.2 59.0 54.8 59.5 9 17 A D H X S+ 0 0 98 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.927 110.5 45.8 -70.6 -36.2 60.0 52.3 62.0 10 18 A M H X S+ 0 0 6 -4,-4.4 4,-2.5 2,-0.2 -1,-0.2 0.940 115.7 50.8 -65.1 -40.9 56.8 52.6 63.9 11 19 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 -5,-0.4 -2,-0.2 0.891 110.7 46.3 -58.2 -49.2 55.2 52.4 60.5 12 20 A T H X S+ 0 0 52 -4,-3.7 4,-2.0 2,-0.2 5,-0.2 0.849 109.4 55.3 -67.7 -32.5 57.1 49.3 59.6 13 21 A E H X S+ 0 0 99 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.988 110.3 47.1 -59.1 -55.1 56.3 47.8 63.0 14 22 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.890 110.9 50.3 -48.2 -55.5 52.6 48.3 62.3 15 23 A A H >X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 3,-1.2 0.970 109.1 50.5 -51.0 -62.8 52.6 46.9 58.8 16 24 A N H 3X S+ 0 0 78 -4,-2.0 4,-2.0 1,-0.3 5,-0.4 0.809 107.2 55.1 -47.8 -36.1 54.4 43.8 59.8 17 25 A F H 3X>S+ 0 0 35 -4,-1.9 5,-1.7 -5,-0.2 4,-0.7 0.899 108.1 47.2 -70.7 -36.5 52.1 43.2 62.4 18 26 A E H <<5S+ 0 0 5 -4,-1.8 6,-0.9 -3,-1.2 4,-0.3 0.978 111.8 50.0 -66.7 -48.7 49.1 43.3 60.2 19 27 A K H <5S+ 0 0 85 -4,-2.6 -2,-0.2 4,-0.2 -1,-0.2 0.897 123.2 27.2 -53.3 -47.1 50.5 41.2 57.7 20 28 A N H <5S+ 0 0 21 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.966 130.2 31.5 -83.4 -67.6 51.6 38.3 60.1 21 29 A V T <5S+ 0 0 32 -4,-0.7 -3,-0.2 -5,-0.4 2,-0.2 0.949 130.4 36.0 -62.2 -44.3 49.4 38.4 63.1 22 30 A S S + 0 0 25 -6,-0.9 4,-2.7 -2,-0.2 5,-0.3 -0.638 23.1 170.5-111.3 66.8 45.2 42.2 56.4 25 33 A I H > S+ 0 0 105 -2,-0.4 4,-1.4 1,-0.2 -1,-0.1 0.741 78.5 55.1 -47.9 -27.8 47.3 42.6 53.3 26 34 A H H > S+ 0 0 154 2,-0.2 4,-1.9 3,-0.2 3,-0.3 0.998 111.2 38.9 -71.8 -63.1 45.6 46.0 52.7 27 35 A K H > S+ 0 0 108 1,-0.3 4,-2.4 2,-0.3 5,-0.3 0.841 118.0 54.1 -52.9 -37.6 46.3 47.7 56.0 28 36 A Y H X S+ 0 0 34 -4,-2.7 4,-0.8 1,-0.2 -1,-0.3 0.931 108.3 44.9 -66.7 -39.9 49.6 46.1 55.7 29 37 A N H X S+ 0 0 82 -4,-1.4 4,-1.6 -3,-0.3 -2,-0.3 0.753 111.5 59.3 -73.4 -22.5 50.1 47.5 52.2 30 38 A A H >X S+ 0 0 32 -4,-1.9 4,-2.0 2,-0.2 3,-0.6 0.999 100.9 49.2 -65.6 -66.6 48.9 50.8 53.8 31 39 A Y H 3X S+ 0 0 12 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.708 111.9 57.3 -43.7 -26.9 51.5 51.1 56.4 32 40 A R H 3X S+ 0 0 140 -4,-0.8 4,-2.9 -5,-0.3 -1,-0.2 0.943 103.3 41.4 -80.7 -48.0 54.0 50.5 53.8 33 41 A K H X S+ 0 0 34 -4,-3.7 3,-1.7 2,-0.2 4,-1.6 0.933 109.9 53.6 -66.3 -57.0 56.9 58.0 51.4 38 46 A I H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -3,-0.2 0.819 107.6 60.8 -50.8 -28.7 57.4 59.7 54.8 39 47 A A H 3< S+ 0 0 44 -4,-1.0 -1,-0.3 -5,-0.5 -2,-0.2 0.877 101.8 47.9 -66.5 -37.6 60.9 58.2 54.3 40 48 A K H << S+ 0 0 168 -3,-1.7 -1,-0.2 -4,-0.7 -2,-0.2 0.858 87.6 114.2 -72.3 -32.5 61.5 60.1 51.1 41 49 A Y < - 0 0 53 -4,-1.6 4,-0.1 1,-0.2 -37,-0.1 -0.173 62.5-143.6 -52.9 126.5 60.4 63.3 52.7 42 50 A P + 0 0 86 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.169 69.3 60.2 -68.9 0.9 63.1 65.9 53.1 43 51 A H S S- 0 0 107 -39,-0.0 2,-0.5 -40,-0.0 -2,-0.0 -0.962 89.8 -87.8-143.6 164.3 62.0 67.4 56.3 44 52 A K - 0 0 114 -2,-0.4 2,-0.4 1,-0.1 -40,-0.1 -0.448 46.7-128.3 -65.0 113.9 61.4 66.8 59.9 45 53 A I - 0 0 7 -2,-0.5 -1,-0.1 -42,-0.2 3,-0.1 -0.496 28.7-178.0 -68.2 122.3 57.8 65.7 60.2 46 54 A K - 0 0 150 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.622 54.7 -10.4 -96.5 -16.6 56.2 67.9 62.8 47 55 A S S > S- 0 0 40 1,-0.2 4,-2.4 22,-0.0 -1,-0.2 -0.993 71.3 -88.8-170.3 173.4 52.7 66.6 63.0 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-4.7 1,-0.2 3,-0.4 0.977 120.9 50.8 -56.3 -59.0 50.1 64.5 61.6 49 57 A A H > S+ 0 0 68 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.822 107.0 53.7 -48.5 -40.4 48.7 67.1 59.3 50 58 A E H >4 S+ 0 0 38 2,-0.2 3,-0.6 1,-0.2 -1,-0.3 0.941 117.7 37.4 -60.1 -47.6 52.1 67.8 57.9 51 59 A A H >< S+ 0 0 0 -4,-2.4 3,-3.5 -3,-0.4 -2,-0.2 0.934 106.3 69.8 -62.7 -49.8 52.4 64.1 57.1 52 60 A K H 3< S+ 0 0 92 -4,-4.7 5,-0.2 1,-0.3 -1,-0.2 0.659 83.9 68.4 -34.8 -41.6 48.8 64.0 56.2 53 61 A K T << S+ 0 0 163 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.578 84.5 106.8 -58.7 -17.8 49.4 66.0 53.0 54 62 A L S X S- 0 0 34 -3,-3.5 3,-2.2 -5,-0.1 2,-0.3 -0.379 84.4-107.6 -73.8 144.6 51.3 63.1 51.8 55 63 A P T 3 S+ 0 0 95 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.515 109.2 18.2 -66.3 130.9 50.1 60.7 49.2 56 64 A G T 3 S+ 0 0 36 -2,-0.3 2,-0.8 1,-0.2 -22,-0.2 0.282 97.0 113.9 88.0 -10.5 49.2 57.6 51.1 57 65 A V < + 0 0 8 -3,-2.2 -1,-0.2 -5,-0.2 2,-0.1 -0.848 44.9 178.6-103.0 119.5 49.0 59.2 54.4 58 66 A G > - 0 0 24 -2,-0.8 4,-2.3 -3,-0.1 5,-0.2 -0.267 48.4 -90.3-101.1-172.1 45.6 59.1 55.7 59 67 A T H > S+ 0 0 81 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.796 121.4 62.3 -70.6 -31.0 43.8 60.2 58.8 60 68 A K H > S+ 0 0 136 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.966 113.2 29.6 -58.5 -57.5 44.5 56.8 60.2 61 69 A I H >> S+ 0 0 12 2,-0.2 4,-3.0 1,-0.2 3,-1.2 0.916 114.3 60.3 -66.7 -51.4 48.3 57.0 60.2 62 70 A A H 3X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.861 103.4 56.7 -46.1 -38.9 48.5 60.7 60.7 63 71 A E H 3X S+ 0 0 128 -4,-1.5 4,-1.5 1,-0.2 -1,-0.3 0.912 108.0 44.4 -62.7 -40.2 46.7 60.0 63.8 64 72 A K H - 0 0 3 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.971 16.6-139.5-151.6 133.9 52.1 54.2 70.7 75 83 A R H > S+ 0 0 163 -2,-0.3 4,-3.5 2,-0.2 5,-0.3 0.988 105.0 50.3 -64.2 -52.4 49.5 52.1 72.5 76 84 A K H > S+ 0 0 78 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.881 111.4 50.0 -49.5 -40.3 48.9 49.7 69.7 77 85 A L H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.934 114.2 44.9 -67.2 -39.8 52.5 49.3 69.4 78 86 A E H X S+ 0 0 77 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.946 112.8 49.0 -69.5 -44.2 52.7 48.6 73.1 79 87 A K H >X S+ 0 0 125 -4,-3.5 4,-2.5 1,-0.2 3,-0.7 0.952 114.7 46.6 -57.4 -51.1 49.7 46.3 73.3 80 88 A I H 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.895 106.6 55.2 -58.1 -45.2 51.1 44.2 70.3 81 89 A R H 3< S+ 0 0 193 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.831 113.8 44.4 -59.5 -28.6 54.5 44.0 71.5 82 90 A Q H << S+ 0 0 139 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.912 84.0 112.9 -78.4 -48.6 52.9 42.5 74.7 83 91 A D X - 0 0 67 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 -0.070 54.1-157.2 -40.6 99.3 50.5 40.1 73.0 84 92 A D H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.835 90.9 54.2 -48.7 -40.8 51.5 36.7 73.7 85 93 A T H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.976 111.8 39.1 -63.6 -54.0 49.7 35.6 70.7 86 94 A S H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.845 113.8 57.8 -65.4 -28.0 51.2 37.8 68.2 87 95 A S H X S+ 0 0 47 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.962 104.9 52.7 -60.8 -48.7 54.6 37.3 70.0 88 96 A S H X S+ 0 0 12 -4,-2.5 4,-2.1 1,-0.3 5,-0.3 0.855 108.9 47.5 -54.9 -42.9 54.2 33.6 69.4 89 97 A I H X S+ 0 0 4 -4,-2.0 4,-1.3 1,-0.2 -1,-0.3 0.882 106.4 58.2 -70.5 -35.0 53.6 34.0 65.7 90 98 A N H < S+ 0 0 65 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.903 113.7 39.1 -58.5 -39.5 56.5 36.3 65.5 91 99 A F H >< S+ 0 0 58 -4,-1.9 3,-3.4 2,-0.2 4,-0.2 0.919 108.1 54.2 -75.0 -57.8 58.7 33.5 66.8 92 100 A L H >< S+ 0 0 0 -4,-2.1 3,-2.8 1,-0.3 6,-0.2 0.881 97.8 71.0 -48.7 -37.8 57.5 30.2 65.3 93 101 A T T 3< S+ 0 0 41 -4,-1.3 5,-0.4 -5,-0.3 -1,-0.3 0.752 82.7 73.5 -52.9 -23.6 58.0 32.0 62.0 94 102 A R T < S+ 0 0 117 -3,-3.4 -1,-0.3 -5,-0.1 2,-0.2 0.697 73.9 96.5 -68.4 -17.5 61.7 31.7 62.8 95 103 A V S X S- 0 0 4 -3,-2.8 3,-2.1 -4,-0.2 2,-0.5 -0.506 92.2-105.5 -72.4 136.8 61.7 28.1 62.0 96 104 A S T 3 S+ 0 0 41 35,-0.4 35,-0.3 1,-0.3 36,-0.1 -0.551 109.4 22.9 -67.4 119.2 62.8 27.3 58.5 97 105 A G T 3 S+ 0 0 34 -2,-0.5 2,-0.7 1,-0.2 -1,-0.3 0.440 92.2 112.0 106.5 4.8 59.7 26.4 56.8 98 106 A I < - 0 0 9 -3,-2.1 -1,-0.2 -5,-0.4 -3,-0.0 -0.954 41.3-178.4-116.3 115.2 57.2 28.1 59.0 99 107 A G > - 0 0 32 -2,-0.7 4,-2.0 -3,-0.1 5,-0.1 -0.347 47.2 -92.2 -95.7-179.8 55.4 30.9 57.4 100 108 A P H > S+ 0 0 38 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.897 122.8 62.0 -61.3 -42.2 52.8 33.1 59.1 101 109 A S H > S+ 0 0 84 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.916 110.9 36.6 -51.2 -50.6 50.1 30.9 57.8 102 110 A A H > S+ 0 0 17 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.795 111.5 62.2 -75.2 -27.5 51.4 27.9 59.6 103 111 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.966 106.4 45.3 -64.5 -42.6 52.4 30.0 62.6 104 112 A R H X S+ 0 0 52 -4,-3.6 4,-2.9 1,-0.2 -1,-0.2 0.943 114.2 48.6 -62.4 -44.6 48.8 31.1 63.2 105 113 A K H X S+ 0 0 99 -4,-1.7 4,-2.9 -5,-0.3 5,-0.2 0.943 110.6 49.4 -59.9 -49.3 47.6 27.6 62.8 106 114 A F H X>S+ 0 0 0 -4,-3.0 5,-3.3 1,-0.2 4,-1.0 0.936 113.6 47.8 -55.4 -46.8 50.1 26.1 65.1 107 115 A V H <5S+ 0 0 2 -4,-2.3 3,-0.3 -5,-0.3 -1,-0.2 0.880 107.9 54.3 -59.1 -46.2 49.3 28.7 67.7 108 116 A D H <5S+ 0 0 130 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.969 108.1 48.3 -54.9 -53.3 45.7 28.2 67.3 109 117 A E H <5S- 0 0 113 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.747 130.5-102.8 -56.9 -23.1 46.3 24.6 68.0 110 118 A G T <5S+ 0 0 32 -4,-1.0 2,-1.0 -3,-0.3 3,-0.3 0.551 75.1 139.4 110.5 13.8 48.4 25.8 71.0 111 119 A I < + 0 0 6 -5,-3.3 -1,-0.3 -6,-0.2 -19,-0.1 -0.756 12.5 139.8 -90.7 109.7 51.9 25.4 69.8 112 120 A K + 0 0 77 -2,-1.0 -1,-0.2 -3,-0.1 2,-0.2 0.745 52.0 56.5-115.4 -43.2 53.7 28.4 70.9 113 121 A T S > S- 0 0 62 -3,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.467 80.2-116.9 -91.8 162.5 57.0 27.2 72.1 114 122 A L H > S+ 0 0 27 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.866 120.4 55.5 -62.0 -41.0 59.9 25.3 70.4 115 123 A E H > S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.885 105.9 51.2 -64.1 -34.2 59.3 22.7 72.9 116 124 A D H > S+ 0 0 44 1,-0.3 4,-1.0 2,-0.2 3,-0.3 0.979 105.2 55.7 -61.7 -52.4 55.7 22.6 71.8 117 125 A L H < S+ 0 0 1 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.790 106.0 55.3 -48.1 -33.1 56.9 22.3 68.3 118 126 A R H >< S+ 0 0 124 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.949 100.0 52.6 -70.5 -51.8 58.8 19.3 69.6 119 127 A K H 3< S+ 0 0 160 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.601 117.2 44.7 -62.4 -8.9 56.1 17.1 71.1 120 128 A N T >< + 0 0 37 -4,-1.0 3,-1.5 -3,-0.2 4,-0.3 -0.212 62.9 139.3-128.8 44.1 54.3 17.5 67.9 121 129 A E G X S+ 0 0 101 -3,-1.6 3,-2.1 1,-0.3 -1,-0.1 0.862 70.9 69.4 -56.2 -30.1 57.0 16.9 65.4 122 130 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.766 88.5 57.5 -56.2 -34.6 54.3 15.0 63.6 123 131 A K G < S+ 0 0 84 -3,-1.5 2,-0.3 -6,-0.1 -1,-0.3 0.560 97.5 86.6 -75.9 -7.9 52.2 18.0 62.7 124 132 A L S < S- 0 0 4 -3,-2.1 2,-0.1 -4,-0.3 -3,-0.0 -0.746 74.6-135.5 -95.1 136.1 55.3 19.3 61.0 125 133 A N > - 0 0 86 -2,-0.3 4,-1.7 -28,-0.1 5,-0.2 -0.376 39.6 -90.2 -83.2 171.6 56.3 18.5 57.4 126 134 A H H > S+ 0 0 107 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.863 123.8 53.1 -47.9 -49.5 60.0 17.5 56.5 127 135 A H H > S+ 0 0 43 1,-0.3 4,-3.6 2,-0.2 5,-0.2 0.975 114.1 42.0 -54.0 -56.1 61.2 21.1 55.8 128 136 A Q H > S+ 0 0 15 -31,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.772 110.7 59.3 -63.1 -23.0 60.0 22.3 59.2 129 137 A R H X S+ 0 0 96 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.937 113.5 36.5 -70.4 -46.1 61.3 19.1 60.7 130 138 A I H X S+ 0 0 5 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.951 113.9 56.8 -69.8 -41.8 64.7 19.9 59.6 131 139 A G H < S+ 0 0 1 -4,-3.6 -35,-0.4 -35,-0.3 -1,-0.2 0.859 112.8 43.1 -54.1 -37.5 64.1 23.5 60.2 132 140 A L H >< S+ 0 0 8 -4,-2.0 3,-1.4 -5,-0.2 -1,-0.2 0.910 108.6 57.7 -75.3 -42.2 63.3 22.6 63.8 133 141 A K H 3< S+ 0 0 132 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.919 117.3 31.4 -51.9 -53.1 66.1 20.1 64.1 134 142 A Y T 3X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -1,-0.3 -0.091 77.0 131.7 -98.7 29.5 68.9 22.7 63.2 135 143 A F H <> S+ 0 0 27 -3,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.871 77.1 43.3 -49.6 -44.1 67.1 25.7 64.7 136 144 A G H >> S+ 0 0 40 -3,-0.3 3,-1.9 -4,-0.2 4,-0.7 0.995 115.4 47.7 -66.1 -64.0 70.3 26.8 66.6 137 145 A D H 34 S+ 0 0 33 1,-0.3 3,-0.4 2,-0.2 109,-0.2 0.761 108.5 56.3 -50.0 -29.6 72.7 26.1 63.6 138 146 A F H 3< S+ 0 0 44 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.807 102.6 54.8 -78.0 -21.5 70.4 28.0 61.2 139 147 A E H << S+ 0 0 101 -3,-1.9 2,-0.2 -4,-0.8 -1,-0.2 0.661 90.6 96.1 -83.0 -13.6 70.5 31.1 63.3 140 148 A K S < S- 0 0 112 -4,-0.7 2,-0.0 -3,-0.4 -4,-0.0 -0.529 75.9-117.4 -81.9 138.3 74.3 31.4 63.3 141 149 A R - 0 0 146 -2,-0.2 40,-0.2 1,-0.1 -1,-0.1 -0.332 29.3-117.7 -69.0 150.5 76.4 33.5 61.0 142 150 A I E -A 180 0A 0 38,-4.7 38,-1.7 40,-0.1 2,-0.2 -0.821 24.3-132.6 -95.3 112.1 78.8 31.6 58.7 143 151 A P E >> -A 179 0A 36 0, 0.0 3,-3.1 0, 0.0 4,-1.5 -0.431 11.5-133.2 -64.5 128.6 82.4 32.6 59.4 144 152 A R H 3> S+ 0 0 62 34,-2.7 4,-2.9 1,-0.3 5,-0.2 0.798 105.2 71.9 -44.1 -38.4 84.2 33.3 56.1 145 153 A E H 3> S+ 0 0 120 33,-0.3 4,-0.7 1,-0.3 -1,-0.3 0.769 107.3 35.3 -49.2 -35.9 87.0 31.2 57.5 146 154 A E H <> S+ 0 0 24 -3,-3.1 4,-3.6 2,-0.2 -1,-0.3 0.696 106.8 65.9 -88.7 -31.7 84.6 28.2 56.9 147 155 A M H X S+ 0 0 2 -4,-1.5 4,-3.7 1,-0.2 5,-0.3 0.945 102.7 51.3 -53.9 -47.5 83.1 29.7 53.8 148 156 A L H X 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76.1 26.5 38.6 188 196 A T E -Bc 166 252B 0 -22,-1.5 -22,-1.6 -2,-0.4 5,-0.1 -0.951 17.8-150.5-159.4 176.8 76.0 25.7 35.0 189 197 A H E > -Dc 192 253B 11 63,-0.8 65,-0.8 3,-0.6 3,-0.5 -0.929 26.9-118.4-151.0 164.7 77.4 23.6 32.4 190 198 A P T 3 S+ 0 0 52 0, 0.0 65,-0.1 0, 0.0 -1,-0.1 0.776 111.4 61.9 -79.4 -32.3 78.0 23.9 28.6 191 199 A S T 3 S+ 0 0 55 1,-0.2 2,-0.4 63,-0.0 -3,-0.0 0.593 102.4 66.4 -71.8 -3.9 75.8 21.1 27.7 192 200 A F B < +D 189 0B 18 -3,-0.5 62,-5.2 60,-0.1 -3,-0.6 -0.914 60.7 128.0-133.2 114.7 73.0 23.3 29.2 193 201 A T - 0 0 33 -2,-0.4 5,-0.2 60,-0.4 -5,-0.0 -0.839 69.7 -58.3-144.6 173.1 71.7 26.6 27.9 194 202 A S S S+ 0 0 62 -2,-0.2 4,-0.1 1,-0.1 -2,-0.0 0.737 127.2 22.2 -25.4 -60.0 68.4 28.4 26.9 195 203 A E S S+ 0 0 145 2,-0.1 3,-0.3 1,-0.1 -1,-0.1 0.969 90.4 96.6 -76.4 -81.3 67.3 26.0 24.2 196 204 A S S S- 0 0 45 1,-0.2 2,-0.5 3,-0.0 -3,-0.3 0.252 89.5-111.6 -15.6 84.5 68.9 22.5 24.7 197 205 A T - 0 0 133 -5,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.029 52.5 -87.4 -34.1 82.3 66.0 20.8 26.6 198 206 A K - 0 0 101 -2,-0.5 -5,-0.1 -3,-0.3 -3,-0.0 0.278 23.7-140.5 43.6-169.6 67.4 20.4 30.1 199 207 A Q > - 0 0 86 25,-0.2 3,-3.1 -7,-0.1 4,-0.4 -0.150 13.5-171.9 169.3 69.3 69.5 17.5 31.7 200 208 A P T >> S+ 0 0 52 0, 0.0 4,-1.7 0, 0.0 3,-0.7 0.761 83.7 68.2 -44.5 -34.0 68.1 17.1 35.2 201 209 A K H 3> S+ 0 0 129 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.869 82.6 76.3 -56.7 -37.1 70.9 14.8 35.9 202 210 A L H <> S+ 0 0 2 -3,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.844 106.1 30.7 -38.2 -54.3 73.2 17.8 35.7 203 211 A L H <> S+ 0 0 0 -3,-0.7 4,-2.3 -4,-0.4 -1,-0.2 0.879 118.5 56.9 -72.4 -42.3 72.1 19.0 39.1 204 212 A H H X S+ 0 0 45 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.874 100.8 54.7 -57.0 -50.5 71.5 15.5 40.5 205 213 A Q H X S+ 0 0 78 -4,-3.6 4,-2.4 1,-0.2 -1,-0.2 0.948 111.5 46.8 -52.7 -52.7 75.0 14.1 39.8 206 214 A V H X S+ 0 0 1 -4,-1.0 4,-2.5 -5,-0.4 -1,-0.2 0.926 111.3 47.2 -56.5 -51.6 76.4 16.9 41.7 207 215 A V H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.932 110.7 56.5 -55.7 -44.4 74.2 16.8 44.6 208 216 A E H X S+ 0 0 134 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.901 107.2 46.6 -53.3 -47.9 74.7 13.1 44.7 209 217 A Q H X S+ 0 0 33 -4,-2.4 4,-1.8 2,-0.2 5,-0.3 0.979 108.3 55.9 -60.8 -51.6 78.4 13.5 44.9 210 218 A L H <>S+ 0 0 0 -4,-2.5 5,-3.4 1,-0.3 6,-0.9 0.823 113.8 40.9 -44.8 -43.6 78.2 16.1 47.7 211 219 A Q H ><5S+ 0 0 78 -4,-2.1 3,-0.8 3,-0.2 -1,-0.3 0.814 104.0 68.3 -72.3 -40.0 76.2 13.8 49.8 212 220 A K H 3<5S+ 0 0 152 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.905 108.7 36.7 -49.3 -48.3 78.4 10.9 48.9 213 221 A V T 3<5S- 0 0 56 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.505 121.2-108.6 -84.4 -7.6 81.2 12.4 50.8 214 222 A H T < 5S+ 0 0 137 -3,-0.8 -3,-0.2 -5,-0.3 18,-0.2 0.764 83.4 121.4 86.8 28.7 78.9 13.7 53.5 215 223 A F S - 0 0 25 1,-0.2 3,-0.6 -3,-0.1 6,-0.2 -0.748 39.8-140.5 -85.7 95.7 84.1 17.5 62.3 236 244 A K T 3 - 0 0 116 -2,-1.6 2,-0.9 4,-0.3 -1,-0.2 0.844 58.5 -27.3 -20.7-130.1 87.8 17.2 62.3 237 245 A N T 3 S- 0 0 148 1,-0.1 -1,-0.2 -3,-0.1 4,-0.0 -0.694 104.5 -85.3-107.9 77.9 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