==== 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 8ICW . 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) . 18119.0 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 . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 7.6 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 . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 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 . 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 2 1 2 1 1 1 2 0 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 . 0 0 1 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 . 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 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 0 223 0, 0.0 38,-0.0 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 -37.1 67.4 58.2 56.9 2 10 A T > + 0 0 133 3,-0.0 3,-1.0 4,-0.0 4,-0.3 0.391 360.0 64.1-139.8 -40.2 67.6 59.4 60.5 3 11 A L T 3 S+ 0 0 62 1,-0.2 42,-0.3 2,-0.1 3,-0.1 0.818 116.3 28.1 -64.9 -31.5 65.4 62.5 60.6 4 12 A N T 3> S+ 0 0 5 35,-0.1 4,-1.5 40,-0.1 -1,-0.2 0.165 93.4 115.6-123.6 31.3 62.3 60.6 59.8 5 13 A G H X> + 0 0 11 -3,-1.0 4,-3.5 2,-0.2 3,-0.6 0.930 66.2 47.0 -53.8 -77.8 63.2 57.3 61.4 6 14 A G H 3> S+ 0 0 39 -4,-0.3 4,-4.5 1,-0.3 5,-0.3 0.881 113.2 57.3 -39.9 -48.4 61.0 56.4 64.4 7 15 A I H 3> S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.911 113.5 34.0 -50.2 -56.4 58.2 57.3 62.2 8 16 A T H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 3,-1.5 0.913 112.1 55.7 -49.1 -50.9 52.7 46.9 58.9 16 24 A N H 3X S+ 0 0 73 -4,-3.7 4,-2.0 1,-0.3 5,-0.5 0.899 105.8 48.5 -51.8 -45.1 54.6 43.9 60.0 17 25 A F H 3<>S+ 0 0 37 -4,-1.8 5,-0.8 -3,-0.4 -1,-0.3 0.705 112.1 52.4 -70.2 -16.7 52.2 43.1 62.6 18 26 A E H + 0 0 26 -6,-0.8 4,-2.5 1,-0.2 5,-0.2 -0.478 21.4 165.4 -74.5 76.7 45.4 42.4 56.6 25 33 A I H > S+ 0 0 99 -2,-1.8 4,-3.8 2,-0.2 5,-0.2 0.923 74.1 49.1 -61.2 -44.9 47.2 42.8 53.5 26 34 A H H > S+ 0 0 156 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.958 114.2 43.2 -58.2 -57.2 45.8 46.2 52.7 27 35 A K H > S+ 0 0 116 2,-0.3 4,-2.3 1,-0.3 3,-0.2 0.911 119.3 46.5 -54.9 -45.4 46.5 47.8 56.1 28 36 A Y H X S+ 0 0 36 -4,-2.5 4,-1.2 1,-0.3 -1,-0.3 0.955 112.7 46.9 -61.3 -45.6 49.8 46.1 55.9 29 37 A N H X S+ 0 0 78 -4,-3.8 4,-1.0 -5,-0.2 -1,-0.3 0.666 111.9 57.9 -66.2 -17.2 50.2 47.3 52.4 30 38 A A H X S+ 0 0 27 -4,-1.3 4,-2.0 -3,-0.2 3,-0.3 0.970 101.1 49.0 -74.4 -63.0 49.1 50.7 53.8 31 39 A Y H X S+ 0 0 10 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.722 111.0 54.8 -48.0 -34.2 51.8 51.2 56.6 32 40 A R H X S+ 0 0 134 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.909 104.7 46.1 -73.7 -49.5 54.5 50.4 54.1 33 41 A K H X S+ 0 0 84 -4,-1.0 4,-1.7 -3,-0.3 -2,-0.2 0.888 119.9 45.7 -60.3 -36.9 53.8 52.9 51.3 34 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.3 5,-0.5 0.948 110.4 49.4 -62.8 -57.3 53.5 55.4 54.1 35 43 A A H < S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.622 114.5 51.8 -57.7 -18.4 56.6 54.3 55.9 36 44 A S H X S+ 0 0 44 -4,-0.9 4,-1.5 3,-0.1 -1,-0.3 0.794 110.4 44.8 -86.4 -42.0 58.1 54.7 52.4 37 45 A V H >X S+ 0 0 35 -4,-1.7 4,-1.4 2,-0.2 3,-1.3 0.981 111.5 47.5 -68.7 -59.1 56.8 58.1 51.8 38 46 A I H 3< S+ 0 0 0 -4,-2.6 5,-0.2 1,-0.3 -1,-0.2 0.682 109.5 61.1 -50.6 -27.8 57.7 59.8 55.1 39 47 A A H 34 S+ 0 0 44 -5,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.930 103.5 46.4 -63.4 -50.8 61.0 58.1 54.4 40 48 A K H << S+ 0 0 167 -4,-1.5 -2,-0.2 -3,-1.3 -1,-0.2 0.860 89.3 116.4 -58.9 -40.2 61.4 60.1 51.2 41 49 A Y < - 0 0 48 -4,-1.4 4,-0.2 1,-0.1 -3,-0.0 -0.129 59.3-147.4 -47.3 113.1 60.4 63.4 53.0 42 50 A P S S+ 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.064 71.5 58.3 -65.3 12.7 63.1 66.1 53.1 43 51 A H S S- 0 0 109 -5,-0.2 2,-0.5 -39,-0.0 -2,-0.0 -0.999 91.4 -89.8-153.1 156.2 62.1 67.5 56.4 44 52 A K - 0 0 121 -2,-0.3 -40,-0.1 1,-0.1 2,-0.1 -0.411 48.4-129.5 -63.0 111.4 61.5 66.8 59.9 45 53 A I + 0 0 3 -2,-0.5 3,-0.1 -42,-0.3 -1,-0.1 -0.390 33.5 171.5 -65.7 141.7 58.0 65.8 60.2 46 54 A K + 0 0 124 1,-0.4 2,-0.3 -2,-0.1 -1,-0.2 0.712 53.8 19.8-118.6 -43.5 56.1 67.6 62.9 47 55 A S S > S- 0 0 50 1,-0.1 4,-1.5 22,-0.1 -1,-0.4 -0.902 70.4-115.9-131.1 163.8 52.4 67.0 62.9 48 56 A G H > S+ 0 0 2 -2,-0.3 4,-3.6 1,-0.2 3,-0.2 0.894 119.0 59.5 -59.4 -36.7 50.2 64.4 61.6 49 57 A A H > S+ 0 0 63 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.915 102.4 49.0 -52.9 -53.4 48.9 67.1 59.5 50 58 A E H 4 S+ 0 0 39 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.790 115.6 44.8 -58.2 -34.1 52.2 67.9 57.9 51 59 A A H >< S+ 0 0 0 -4,-1.5 3,-2.5 1,-0.2 -1,-0.2 0.958 102.9 70.0 -68.1 -51.9 52.6 64.2 57.2 52 60 A K H 3< S+ 0 0 91 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.631 80.0 72.2 -36.2 -37.8 49.1 64.2 56.0 53 61 A K T 3< S+ 0 0 147 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.1 0.646 84.5 102.5 -64.7 -7.9 49.8 66.1 52.9 54 62 A L S X S- 0 0 32 -3,-2.5 3,-2.8 4,-0.1 2,-0.1 -0.563 83.7-108.5 -89.0 142.6 51.4 63.1 51.7 55 63 A P T 3 S+ 0 0 98 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.404 112.2 22.8 -59.5 131.8 50.2 60.5 49.3 56 64 A G T 3 S+ 0 0 27 1,-0.2 2,-1.2 -4,-0.1 -22,-0.2 -0.002 98.7 112.6 95.1 -25.3 49.5 57.5 51.3 57 65 A V < + 0 0 8 -3,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.644 39.1 158.4 -89.8 103.9 49.1 59.6 54.3 58 66 A G > - 0 0 27 -2,-1.2 4,-2.0 -3,-0.1 5,-0.1 -0.410 58.8 -82.1-102.5-171.4 45.6 59.5 55.4 59 67 A T H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.796 119.8 59.2 -63.1 -41.9 44.2 60.2 58.7 60 68 A K H > S+ 0 0 134 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.915 112.6 36.1 -60.7 -49.1 44.8 56.8 60.2 61 69 A I H >> S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 3,-1.1 0.990 115.0 57.8 -66.5 -53.1 48.4 56.7 59.8 62 70 A A H 3X S+ 0 0 7 -4,-2.0 4,-1.5 1,-0.3 -2,-0.2 0.770 102.1 57.6 -42.5 -36.2 48.6 60.4 60.6 63 71 A E H 3X S+ 0 0 128 -4,-1.9 4,-1.7 2,-0.2 -1,-0.3 0.928 102.2 49.7 -65.7 -47.7 46.9 59.8 63.8 64 72 A K H - 0 0 2 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.805 10.1-142.4-171.7 127.2 52.3 54.1 70.7 75 83 A R H > S+ 0 0 156 -2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.990 105.7 48.0 -63.7 -52.6 49.5 52.1 72.5 76 84 A K H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 116.4 45.6 -50.8 -40.5 48.8 49.9 69.6 77 85 A L H > S+ 0 0 17 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.966 113.0 48.8 -68.4 -51.3 52.5 49.3 69.3 78 86 A E H X S+ 0 0 74 -4,-3.2 4,-1.0 1,-0.2 3,-0.4 0.908 112.4 49.4 -51.4 -49.8 53.0 48.7 73.0 79 87 A K H >X S+ 0 0 122 -4,-3.4 4,-1.8 1,-0.2 3,-1.7 0.949 109.7 50.0 -54.5 -57.6 50.0 46.3 73.1 80 88 A I H 3< S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.741 107.0 58.2 -53.7 -26.5 51.3 44.2 70.0 81 89 A R H 3< S+ 0 0 186 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.801 112.8 38.7 -73.9 -30.4 54.6 44.1 71.9 82 90 A Q H << S+ 0 0 140 -3,-1.7 -2,-0.2 -4,-1.0 -3,-0.1 0.977 86.0 102.7 -80.7 -71.4 52.9 42.4 74.8 83 91 A D X - 0 0 73 -4,-1.8 4,-3.5 1,-0.1 5,-0.1 0.267 54.4-157.8 -23.7 110.0 50.4 40.0 73.3 84 92 A D H > S+ 0 0 92 2,-0.2 4,-4.5 1,-0.2 5,-0.3 0.934 89.0 62.9 -63.3 -44.2 51.8 36.6 73.5 85 93 A T H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 116.2 32.6 -44.8 -50.0 49.5 35.4 70.6 86 94 A S H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.942 116.3 56.3 -73.5 -45.5 51.3 37.8 68.4 87 95 A S H X S+ 0 0 43 -4,-3.5 4,-0.7 1,-0.2 -2,-0.2 0.887 110.5 48.8 -46.7 -48.9 54.6 37.5 70.2 88 96 A S H >X S+ 0 0 13 -4,-4.5 4,-2.4 1,-0.2 3,-1.0 0.894 105.4 54.5 -56.8 -54.5 54.4 33.8 69.6 89 97 A I H 3X S+ 0 0 5 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.840 107.0 52.6 -49.9 -43.7 53.6 34.1 65.9 90 98 A N H 3< S+ 0 0 62 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.704 112.7 45.6 -64.5 -30.0 56.7 36.2 65.3 91 99 A F H X< S+ 0 0 62 -3,-1.0 3,-2.0 -4,-0.7 4,-0.3 0.860 108.4 49.9 -84.3 -47.7 58.9 33.7 67.0 92 100 A L H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.879 98.4 71.8 -59.5 -34.9 57.7 30.4 65.4 93 101 A T T 3< S+ 0 0 40 -4,-1.2 5,-0.4 -5,-0.3 -1,-0.3 0.750 82.3 73.6 -52.8 -26.8 58.1 32.1 62.2 94 102 A R T < S+ 0 0 114 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.734 71.2 98.1 -61.2 -29.2 61.8 31.8 62.8 95 103 A V S X S- 0 0 2 -3,-2.1 3,-2.5 -4,-0.3 37,-0.1 -0.434 92.2-103.9 -63.7 130.0 61.9 28.1 62.1 96 104 A S T 3 S+ 0 0 43 35,-0.3 35,-0.3 1,-0.3 36,-0.2 -0.453 111.6 24.7 -60.0 128.4 63.0 27.5 58.6 97 105 A G T 3 S+ 0 0 39 1,-0.1 2,-0.8 -4,-0.1 -1,-0.3 0.341 94.9 118.9 95.1 2.5 59.8 26.6 56.7 98 106 A I < + 0 0 9 -3,-2.5 -1,-0.1 -5,-0.4 -3,-0.0 -0.843 36.1 173.0-110.8 107.3 57.5 28.4 59.1 99 107 A G > - 0 0 27 -2,-0.8 4,-3.7 -3,-0.1 3,-0.2 -0.380 48.5 -95.3 -97.2 178.6 55.5 31.0 57.7 100 108 A P H > S+ 0 0 38 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.903 120.9 61.2 -55.8 -54.8 52.7 33.1 59.1 101 109 A S H > S+ 0 0 92 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.814 118.8 29.7 -39.7 -46.9 50.1 30.9 57.7 102 110 A A H > S+ 0 0 18 2,-0.2 4,-3.1 -3,-0.2 5,-0.3 0.870 111.1 65.3 -84.1 -43.7 51.5 28.1 59.7 103 111 A A H X S+ 0 0 0 -4,-3.7 4,-1.6 1,-0.2 -2,-0.2 0.877 109.7 43.1 -48.7 -41.2 52.8 30.3 62.6 104 112 A R H X S+ 0 0 59 -4,-3.5 4,-2.6 2,-0.2 -1,-0.2 0.940 111.3 49.4 -71.8 -48.7 49.2 31.0 63.3 105 113 A K H X S+ 0 0 97 -4,-1.1 4,-2.9 -5,-0.3 5,-0.3 0.945 112.2 52.1 -56.2 -44.9 47.7 27.6 62.9 106 114 A F H X>S+ 0 0 0 -4,-3.1 5,-5.4 1,-0.2 4,-0.9 0.920 109.0 51.2 -55.2 -46.5 50.4 26.3 65.2 107 115 A V H <5S+ 0 0 3 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.859 109.1 48.8 -57.9 -46.2 49.4 29.0 67.6 108 116 A D H <5S+ 0 0 129 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.981 109.0 49.9 -61.4 -55.9 45.9 28.1 67.6 109 117 A E H <5S- 0 0 118 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.756 131.9-100.2 -51.8 -25.3 46.4 24.5 68.1 110 118 A G T <5S+ 0 0 28 -4,-0.9 2,-2.5 -5,-0.3 3,-0.4 0.564 71.8 150.2 110.3 23.5 48.6 25.8 70.9 111 119 A I < + 0 0 6 -5,-5.4 -4,-0.1 -6,-0.3 -3,-0.1 -0.363 18.2 142.2 -82.6 66.9 52.0 25.5 69.3 112 120 A K + 0 0 73 -2,-2.5 -1,-0.2 -5,-0.2 2,-0.1 0.952 53.6 37.7 -75.3 -47.6 53.4 28.4 71.2 113 121 A T S > S- 0 0 61 -3,-0.4 4,-1.5 1,-0.1 5,-0.0 -0.412 81.7-110.0 -99.3-179.9 57.0 27.4 72.1 114 122 A L H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.900 121.0 56.4 -72.1 -47.5 59.7 25.6 70.3 115 123 A E H > S+ 0 0 122 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.835 104.4 55.5 -55.2 -30.0 59.3 22.6 72.7 116 124 A D H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.950 104.2 53.3 -62.4 -49.3 55.7 22.6 71.5 117 125 A L H < S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.827 109.9 47.8 -53.2 -39.5 57.1 22.3 68.2 118 126 A R H >< S+ 0 0 116 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.949 107.9 51.7 -70.1 -52.7 59.1 19.4 69.3 119 127 A K H 3< S+ 0 0 162 -4,-3.3 3,-0.3 1,-0.3 2,-0.2 0.833 117.1 43.2 -54.2 -33.5 56.3 17.5 71.0 120 128 A N T >< + 0 0 35 -4,-2.3 3,-0.9 -5,-0.2 -1,-0.3 -0.385 67.3 137.6-109.0 52.2 54.3 17.9 67.9 121 129 A E G X S+ 0 0 101 -3,-1.3 3,-0.8 1,-0.3 -1,-0.2 0.767 70.9 64.8 -67.6 -19.5 57.1 17.1 65.6 122 130 A D G 3 S+ 0 0 114 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.712 90.6 59.4 -71.0 -30.2 54.3 15.2 63.9 123 131 A K G < S+ 0 0 74 -3,-0.9 -1,-0.2 -6,-0.2 2,-0.2 0.507 99.8 80.8 -79.6 -2.1 52.4 18.3 63.0 124 132 A L S < S- 0 0 9 -3,-0.8 2,-0.4 -4,-0.3 5,-0.0 -0.591 73.3-129.8-102.6 162.7 55.4 19.4 61.1 125 133 A N >> - 0 0 94 -2,-0.2 3,-1.3 -28,-0.1 4,-1.3 -0.902 36.3 -95.8-117.3 144.5 56.8 18.7 57.6 126 134 A H H 3> S+ 0 0 108 -2,-0.4 4,-2.1 1,-0.3 5,-0.2 0.575 121.0 53.1 -21.2 -39.9 60.3 17.7 56.7 127 135 A H H 3> S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.988 118.9 33.7 -61.9 -61.0 61.4 21.2 55.8 128 136 A Q H <> S+ 0 0 15 -3,-1.3 4,-1.1 2,-0.3 -2,-0.2 0.366 115.4 62.1 -70.9 -11.0 60.3 22.7 59.1 129 137 A R H X S+ 0 0 103 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.754 110.1 37.0 -87.2 -38.9 61.3 19.4 60.6 130 138 A I H X S+ 0 0 2 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.3 0.861 114.7 60.3 -79.4 -28.6 64.8 20.0 59.5 131 139 A G H < S+ 0 0 2 -4,-1.8 -35,-0.3 -35,-0.3 -2,-0.2 0.939 109.7 39.3 -59.9 -45.7 64.1 23.6 60.4 132 140 A L H >< S+ 0 0 13 -4,-1.1 3,-1.6 -36,-0.2 -1,-0.2 0.942 111.6 63.3 -67.7 -40.6 63.4 22.7 63.8 133 141 A K H 3< S+ 0 0 119 -4,-2.2 -2,-0.2 1,-0.3 3,-0.2 0.859 115.7 25.7 -47.7 -54.8 66.3 20.2 63.6 134 142 A Y T 3X S+ 0 0 17 -4,-2.6 4,-1.5 1,-0.2 -1,-0.3 -0.291 80.8 135.0-107.4 40.8 69.0 22.8 63.1 135 143 A F H <> S+ 0 0 28 -3,-1.6 4,-1.2 2,-0.2 3,-0.5 0.949 79.1 36.5 -54.5 -59.4 67.3 25.6 64.7 136 144 A G H >> S+ 0 0 46 -4,-0.2 3,-2.2 1,-0.2 4,-0.9 0.990 116.6 52.8 -54.7 -70.8 70.4 26.8 66.7 137 145 A D H 34 S+ 0 0 35 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.653 111.0 51.0 -34.7 -31.0 72.9 26.0 63.9 138 146 A F H 3< S+ 0 0 39 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.776 97.5 59.0 -86.3 -30.9 70.8 28.0 61.5 139 147 A E H << S+ 0 0 103 -3,-2.2 -2,-0.2 -4,-1.2 -1,-0.2 0.732 93.2 97.0 -71.3 -16.5 70.4 31.2 63.3 140 148 A K S < S- 0 0 101 -4,-0.9 2,-0.2 1,-0.1 -4,-0.0 -0.360 75.7-117.1 -75.8 145.6 74.2 31.4 63.3 141 149 A R - 0 0 143 -2,-0.1 40,-0.2 1,-0.1 -1,-0.1 -0.585 27.0-118.2 -82.7 147.2 76.5 33.4 60.8 142 150 A I - 0 0 0 38,-5.1 5,-0.1 -2,-0.2 -1,-0.1 -0.774 24.4-135.4 -90.8 98.3 79.1 31.5 58.6 143 151 A P >> - 0 0 38 0, 0.0 3,-1.7 0, 0.0 4,-1.2 -0.289 10.5-134.2 -58.8 129.6 82.7 32.6 59.3 144 152 A R H 3> S+ 0 0 59 34,-1.3 4,-2.7 1,-0.3 3,-0.4 0.843 105.5 68.3 -47.3 -44.4 84.5 33.2 56.1 145 153 A E H 3> S+ 0 0 127 1,-0.3 4,-0.7 33,-0.3 -1,-0.3 0.844 110.2 36.3 -43.0 -44.6 87.4 31.1 57.5 146 154 A E H <> S+ 0 0 26 -3,-1.7 4,-2.7 2,-0.2 -1,-0.3 0.621 109.0 67.8 -80.2 -25.0 84.9 28.2 57.2 147 155 A M H X S+ 0 0 3 -4,-1.2 4,-3.2 -3,-0.4 -2,-0.2 0.897 101.6 46.4 -61.7 -44.1 83.6 29.8 54.0 148 156 A L H X S+ 0 0 73 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.839 110.8 52.2 -67.7 -38.8 86.8 29.1 52.3 149 157 A Q H X S+ 0 0 70 -4,-0.7 4,-2.2 -5,-0.3 -2,-0.2 0.990 115.4 40.0 -63.9 -51.0 87.0 25.6 53.6 150 158 A M H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.957 112.0 57.0 -54.4 -60.0 83.6 24.7 52.4 151 159 A Q H X S+ 0 0 63 -4,-3.2 4,-2.4 1,-0.3 -1,-0.2 0.825 107.4 50.4 -36.8 -50.7 84.1 26.6 49.1 152 160 A D H X S+ 0 0 80 -4,-2.1 4,-1.9 2,-0.2 -1,-0.3 0.964 109.3 47.7 -55.6 -62.5 87.0 24.5 48.5 153 161 A I H X S+ 0 0 50 -4,-2.2 4,-1.3 1,-0.2 3,-0.4 0.883 110.2 51.3 -50.0 -49.6 85.4 21.2 49.0 154 162 A V H >X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 3,-0.8 0.919 108.0 53.6 -54.8 -47.3 82.5 21.9 47.0 155 163 A L H 3X S+ 0 0 49 -4,-2.4 4,-1.1 1,-0.3 -1,-0.2 0.789 103.2 61.0 -52.3 -37.2 84.7 23.0 44.1 156 164 A N H 3X S+ 0 0 74 -4,-1.9 4,-2.4 -3,-0.4 -1,-0.3 0.826 105.5 39.8 -65.2 -40.9 86.5 19.9 44.3 157 165 A E H < - 0 0 49 -4,-1.0 3,-0.9 -5,-0.3 -1,-0.3 -0.993 54.8-144.5-145.5 137.6 82.9 16.2 35.5 163 171 A S T 3 S+ 0 0 79 -2,-0.4 -3,-0.1 1,-0.2 -1,-0.1 0.702 92.8 77.0 -78.0 -17.7 85.5 18.7 34.6 164 172 A E T 3 S+ 0 0 113 -5,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.469 74.4 117.0 -70.5 3.6 83.1 20.6 32.3 165 173 A Y < - 0 0 18 -3,-0.9 2,-0.5 -7,-0.4 24,-0.2 -0.548 50.3-159.1 -80.8 136.8 81.6 22.1 35.5 166 174 A I E -A 188 0A 55 22,-1.3 22,-0.8 -2,-0.3 2,-0.4 -0.953 13.7-174.4-115.8 119.4 81.6 25.8 36.4 167 175 A A E +A 187 0A 21 -2,-0.5 2,-0.5 20,-0.2 20,-0.2 -0.941 11.1 174.6-124.8 133.5 81.1 26.9 40.0 168 176 A T E -A 186 0A 30 18,-2.2 18,-4.8 -2,-0.4 2,-0.8 -0.961 19.5-154.4-136.6 119.7 80.8 30.1 41.6 169 177 A V E -A 185 0A 4 -2,-0.5 16,-0.2 16,-0.3 2,-0.2 -0.880 32.6-179.7 -92.6 119.1 80.1 30.7 45.1 170 178 A C E +A 184 0A 3 14,-2.4 14,-0.8 -2,-0.8 3,-0.3 -0.446 28.4 66.9-108.3-177.3 78.5 34.1 45.0 171 179 A G S >> S- 0 0 12 -2,-0.2 3,-1.2 1,-0.2 4,-1.1 -0.532 103.6 -29.6 99.4-163.6 77.0 36.4 47.6 172 180 A S T 34>S+ 0 0 28 1,-0.3 5,-2.1 2,-0.3 -1,-0.2 0.821 133.6 59.2 -50.5 -46.9 78.7 38.3 50.4 173 181 A F T >45S+ 0 0 10 1,-0.3 3,-0.7 -3,-0.3 -1,-0.3 0.778 107.1 50.5 -54.8 -31.5 81.5 35.8 50.8 174 182 A R T <45S+ 0 0 48 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.3 0.880 104.0 57.2 -72.8 -41.9 82.2 36.6 47.2 175 183 A R T 3<5S- 0 0 67 -4,-1.1 -1,-0.2 147,-0.2 -2,-0.2 -0.064 129.9 -94.4 -78.1 24.8 82.2 40.3 48.0 176 184 A G T < 5 + 0 0 36 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.136 67.2 174.1 79.2 -15.0 85.0 39.7 50.6 177 185 A A < - 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