==== 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 7ICR . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-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) . 17839.0 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 . 27 8.3 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 . 1 0.3 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 . 14 4.3 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 . 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 1 3 2 0 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 . 0 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 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 0 214 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -7.0 67.3 57.8 56.8 2 10 A T + 0 0 132 37,-0.2 4,-0.2 3,-0.0 3,-0.1 0.108 360.0 81.9 178.1 -4.5 67.1 58.8 60.4 3 11 A L S S+ 0 0 79 36,-0.2 42,-0.2 1,-0.2 36,-0.0 0.715 113.2 18.4 -88.6 -16.9 65.0 61.9 60.2 4 12 A N S > S+ 0 0 8 35,-0.1 4,-1.8 40,-0.1 -1,-0.2 -0.044 91.9 122.4-141.1 33.7 61.9 59.9 60.1 5 13 A G H >> S+ 0 0 20 2,-0.2 4,-3.7 1,-0.2 3,-0.6 0.968 71.0 47.6 -59.4 -68.4 63.2 56.6 61.4 6 14 A G H 3> S+ 0 0 37 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.857 113.8 55.5 -45.0 -40.7 61.0 55.9 64.6 7 15 A I H 3> S+ 0 0 12 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.906 112.4 37.5 -61.1 -48.2 58.1 56.7 62.3 8 16 A T H S+ 0 0 38 -4,-1.4 4,-2.3 -5,-0.3 5,-1.7 0.887 106.8 58.3 -65.1 -37.1 51.8 42.2 62.3 18 26 A E H <5S+ 0 0 8 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.973 112.7 41.5 -55.3 -50.8 48.8 42.8 60.0 19 27 A K H <5S+ 0 0 78 -4,-2.0 -2,-0.2 5,-0.2 6,-0.2 0.957 125.3 30.5 -57.4 -64.6 50.3 40.5 57.6 20 28 A N H <5S+ 0 0 25 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.817 131.2 28.6 -68.5 -44.0 51.5 37.6 60.0 21 29 A V T <5S+ 0 0 34 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.925 130.0 28.0 -87.1 -61.7 49.0 37.8 62.8 22 30 A S S + 0 0 26 1,-0.2 4,-4.8 2,-0.1 5,-0.3 0.063 13.8 161.2 -27.7 53.9 45.3 42.1 56.9 25 33 A I H > S+ 0 0 89 -2,-1.8 4,-3.5 1,-0.2 -1,-0.2 0.896 76.6 47.9 -51.7 -44.6 47.4 42.0 53.8 26 34 A H H > S+ 0 0 152 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 114.2 46.6 -62.3 -44.9 45.9 45.2 52.6 27 35 A K H > S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.926 113.3 48.9 -56.9 -51.9 46.4 46.8 55.9 28 36 A Y H X S+ 0 0 24 -4,-4.8 4,-1.4 1,-0.3 -1,-0.2 0.927 108.5 52.5 -56.1 -48.1 49.7 45.5 55.9 29 37 A N H X S+ 0 0 71 -4,-3.5 4,-1.6 -5,-0.3 -1,-0.3 0.821 105.7 58.0 -58.8 -32.3 50.3 46.8 52.5 30 38 A A H >X S+ 0 0 30 -4,-2.0 4,-2.2 -3,-0.2 3,-0.7 0.993 101.5 51.8 -62.4 -59.6 49.2 50.1 53.7 31 39 A Y H 3X S+ 0 0 15 -4,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.721 110.3 54.2 -45.9 -31.2 51.8 50.4 56.5 32 40 A R H 3X S+ 0 0 142 -4,-1.4 4,-2.2 2,-0.2 -1,-0.3 0.856 105.7 44.1 -74.9 -44.4 54.4 49.7 53.9 33 41 A K H X S+ 0 0 57 -4,-2.2 4,-1.4 2,-0.2 3,-0.6 0.989 110.9 39.4 -65.5 -57.3 58.2 53.9 52.1 37 45 A V H 3X S+ 0 0 33 -4,-3.1 4,-1.9 1,-0.2 3,-0.4 0.928 113.7 52.9 -58.8 -48.2 57.2 57.4 51.3 38 46 A I H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.701 105.1 58.7 -61.3 -20.7 58.0 58.8 54.8 39 47 A A H << S+ 0 0 46 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.908 108.4 43.2 -71.3 -45.9 61.4 57.2 54.5 40 48 A K H < S+ 0 0 174 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.781 87.9 115.0 -68.0 -34.8 62.1 59.3 51.3 41 49 A Y < - 0 0 38 -4,-1.9 4,-0.2 1,-0.2 -38,-0.1 -0.329 60.4-148.1 -57.6 117.1 60.6 62.5 52.8 42 50 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.116 70.0 67.0 -65.2 -0.4 63.3 65.1 53.2 43 51 A H S S- 0 0 117 -5,-0.1 2,-0.9 -39,-0.0 -40,-0.0 -0.800 88.4-101.9-127.2 170.2 62.0 66.7 56.3 44 52 A K - 0 0 129 -2,-0.3 2,-0.2 -40,-0.0 -40,-0.1 -0.783 40.0-130.0 -95.8 105.7 61.4 65.8 59.9 45 53 A I + 0 0 6 -2,-0.9 3,-0.1 -42,-0.2 -38,-0.1 -0.334 30.3 176.6 -55.5 116.4 57.7 65.0 60.3 46 54 A K + 0 0 136 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.398 61.0 19.2-103.7 -0.4 56.6 67.0 63.2 47 55 A S > - 0 0 40 1,-0.1 4,-2.0 22,-0.0 -1,-0.2 -0.969 67.9-117.8-169.4 151.7 52.9 66.1 63.0 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.913 114.4 54.7 -54.2 -48.7 50.4 63.7 61.7 49 57 A A H > S+ 0 0 67 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.874 107.2 49.6 -54.2 -43.3 48.7 66.3 59.6 50 58 A E H 4 S+ 0 0 42 2,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.873 114.1 48.6 -63.8 -37.6 52.0 67.2 57.9 51 59 A A H >< S+ 0 0 1 -4,-2.0 3,-5.4 1,-0.2 -2,-0.2 0.967 100.7 60.5 -63.3 -57.4 52.3 63.5 57.3 52 60 A K H 3< S+ 0 0 93 -4,-3.3 -1,-0.2 1,-0.4 -2,-0.2 0.690 86.9 78.3 -41.9 -29.8 48.9 63.0 55.9 53 61 A K T 3< S+ 0 0 166 -4,-0.9 -1,-0.4 -5,-0.2 -2,-0.2 0.712 83.8 88.8 -55.9 -25.4 49.9 65.4 53.3 54 62 A L S < S- 0 0 34 -3,-5.4 2,-0.3 4,-0.1 3,-0.3 -0.397 88.2-110.5 -80.0 161.2 51.7 62.5 52.0 55 63 A P S S+ 0 0 93 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.686 108.8 32.2 -85.0 135.5 50.4 59.9 49.6 56 64 A G S S+ 0 0 28 -2,-0.3 2,-0.8 1,-0.2 -22,-0.3 -0.018 100.8 111.5 97.7 -24.8 49.9 56.5 51.2 57 65 A V + 0 0 11 -3,-0.3 -1,-0.2 -6,-0.2 2,-0.1 -0.749 41.3 160.7 -96.6 113.7 49.1 58.6 54.2 58 66 A G > - 0 0 27 -2,-0.8 4,-1.2 -3,-0.1 -4,-0.1 -0.219 53.3 -77.8-104.3-166.9 45.6 58.6 55.4 59 67 A T H > S+ 0 0 89 2,-0.2 4,-2.9 3,-0.2 5,-0.1 0.899 120.7 47.2 -65.4 -53.5 43.8 59.3 58.5 60 68 A K H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.944 115.2 45.5 -61.8 -49.9 44.5 56.2 60.6 61 69 A I H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 112.7 51.7 -64.4 -32.7 48.1 56.2 59.9 62 70 A A H X S+ 0 0 8 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.978 106.9 54.6 -62.0 -50.3 48.3 59.9 60.6 63 71 A E H X S+ 0 0 121 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.860 107.6 50.0 -40.1 -53.9 46.5 59.2 63.9 64 72 A K H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.897 107.2 53.3 -58.0 -50.1 49.1 56.8 64.9 65 73 A I H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.882 106.7 53.1 -59.6 -39.8 52.0 59.1 64.1 66 74 A D H X S+ 0 0 68 -4,-2.5 4,-3.8 1,-0.2 5,-0.3 0.981 109.7 46.7 -60.4 -51.9 50.5 61.8 66.2 67 75 A E H X S+ 0 0 72 -4,-2.0 4,-1.8 1,-0.3 6,-0.4 0.792 113.6 51.1 -56.7 -32.1 50.3 59.6 69.2 68 76 A F H < S+ 0 0 52 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.889 116.1 38.4 -74.9 -40.8 53.8 58.4 68.5 69 77 A L H < S+ 0 0 60 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.978 116.3 51.3 -70.9 -56.7 55.2 61.8 68.3 70 78 A A H < S+ 0 0 85 -4,-3.8 2,-0.4 -5,-0.3 -3,-0.2 0.847 125.8 20.3 -46.6 -45.0 53.1 63.2 71.1 71 79 A T S < S- 0 0 67 -4,-1.8 -1,-0.1 2,-0.3 0, 0.0 -0.984 87.0-112.4-130.8 142.1 54.1 60.3 73.5 72 80 A G S S+ 0 0 69 -2,-0.4 2,-0.2 2,-0.0 -4,-0.1 0.405 92.8 35.1 -54.2 4.4 57.1 58.0 73.2 73 81 A K S S- 0 0 89 -6,-0.4 -2,-0.3 4,-0.0 2,-0.3 -0.631 71.9-119.0-139.9-159.4 55.0 55.0 72.4 74 82 A L > - 0 0 4 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.950 13.5-145.3-149.8 125.8 52.0 53.6 70.8 75 83 A R H > S+ 0 0 170 -2,-0.3 4,-4.4 1,-0.2 5,-0.1 0.959 103.4 46.7 -58.6 -50.8 49.2 51.8 72.7 76 84 A K H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.902 111.4 49.7 -57.3 -45.6 48.6 49.4 69.9 77 85 A L H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 117.6 41.9 -61.0 -43.1 52.2 48.6 69.4 78 86 A E H X S+ 0 0 76 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.897 110.7 55.5 -68.9 -41.5 52.5 48.0 73.1 79 87 A K H X S+ 0 0 129 -4,-4.4 4,-1.1 -5,-0.2 3,-0.5 0.910 113.4 42.3 -55.3 -45.2 49.2 46.2 73.1 80 88 A I H < S+ 0 0 15 -4,-2.6 7,-0.3 1,-0.2 -2,-0.2 0.782 105.2 63.6 -68.2 -41.4 50.7 43.7 70.3 81 89 A R H < S+ 0 0 131 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.600 107.8 43.8 -64.3 -15.1 54.2 43.3 71.9 82 90 A Q H < S+ 0 0 136 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.926 83.7 102.3 -90.1 -64.0 52.6 41.7 75.0 83 91 A D X - 0 0 66 -4,-1.1 4,-2.0 1,-0.1 3,-0.3 0.104 62.3-145.6 -27.3 111.8 50.1 39.2 73.6 84 92 A D H > S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.883 94.0 58.4 -56.5 -42.0 51.4 35.8 73.7 85 93 A T H > S+ 0 0 47 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.889 109.3 44.0 -52.8 -45.5 49.5 34.7 70.5 86 94 A S H >> S+ 0 0 5 -3,-0.3 4,-1.9 1,-0.2 3,-0.9 0.990 111.0 53.4 -63.3 -53.6 51.2 37.3 68.4 87 95 A S H 3X S+ 0 0 47 -4,-2.0 4,-1.3 -7,-0.3 -1,-0.2 0.763 105.8 59.5 -49.5 -30.3 54.6 36.6 70.0 88 96 A S H 3X S+ 0 0 16 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.864 101.0 47.9 -66.9 -44.3 54.1 33.0 69.0 89 97 A I H < S+ 0 0 60 -4,-1.3 3,-1.7 -5,-0.2 -2,-0.2 0.951 112.9 51.8 -75.0 -58.8 58.7 32.7 67.3 92 100 A L H >< S+ 0 0 1 -4,-3.1 3,-1.4 1,-0.3 -2,-0.2 0.753 100.7 66.5 -51.3 -33.6 57.4 29.6 65.4 93 101 A T T 3< S+ 0 0 48 -4,-1.8 5,-0.4 1,-0.3 -1,-0.3 0.830 82.3 75.7 -60.7 -35.3 58.2 31.3 62.2 94 102 A R T < S+ 0 0 111 -3,-1.7 2,-0.7 -4,-0.4 -1,-0.3 0.570 76.7 93.9 -56.1 -12.0 61.9 31.1 63.0 95 103 A V S X S- 0 0 1 -3,-1.4 3,-3.2 -4,-0.1 37,-0.1 -0.810 89.9-112.3 -92.7 118.4 61.8 27.5 62.2 96 104 A S T 3 S+ 0 0 39 -2,-0.7 35,-0.4 1,-0.3 36,-0.2 -0.208 107.2 27.2 -48.6 118.5 62.8 26.7 58.6 97 105 A G T 3 S+ 0 0 31 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.215 96.8 105.6 108.8 -13.8 59.7 25.4 57.0 98 106 A I < + 0 0 8 -3,-3.2 -1,-0.2 -5,-0.4 -3,-0.1 -0.884 41.9 171.5-104.7 117.5 57.3 27.4 59.2 99 107 A G > - 0 0 31 -2,-0.7 4,-2.3 -3,-0.1 5,-0.1 -0.434 52.3 -87.0-104.9-175.0 55.8 30.3 57.6 100 108 A P H > S+ 0 0 44 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.815 123.1 60.4 -65.7 -38.3 53.0 32.3 59.1 101 109 A S H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.959 113.9 36.5 -56.1 -52.6 50.2 30.1 57.8 102 110 A A H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.903 110.8 61.2 -64.5 -43.7 51.6 27.2 59.7 103 111 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.890 106.7 50.5 -50.5 -43.3 52.6 29.4 62.6 104 112 A R H X S+ 0 0 49 -4,-3.0 4,-2.2 1,-0.2 3,-0.5 0.970 107.8 47.4 -60.0 -60.8 49.0 30.2 62.9 105 113 A K H < S+ 0 0 96 -4,-1.9 4,-0.4 1,-0.2 6,-0.2 0.867 109.9 54.9 -53.2 -38.7 47.5 26.7 62.9 106 114 A F H ><>S+ 0 0 0 -4,-2.7 5,-3.3 1,-0.2 3,-1.0 0.910 108.6 46.7 -64.8 -38.6 50.0 25.5 65.4 107 115 A V H ><5S+ 0 0 7 -4,-1.4 3,-1.3 -3,-0.5 -1,-0.2 0.854 106.8 58.7 -69.1 -32.8 49.2 28.1 67.9 108 116 A D T 3<5S+ 0 0 125 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.582 108.3 45.5 -73.9 -5.7 45.7 27.4 67.3 109 117 A E T < 5S- 0 0 111 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.229 127.9 -98.1-115.2 8.0 46.4 23.9 68.4 110 118 A G T < 5S+ 0 0 41 -3,-1.3 2,-0.8 1,-0.3 3,-0.4 0.355 80.4 135.6 94.0 -8.4 48.4 25.0 71.3 111 119 A I < + 0 0 4 -5,-3.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.691 15.8 135.6 -79.9 117.7 51.8 24.6 69.8 112 120 A K + 0 0 54 -2,-0.8 -1,-0.2 -3,-0.1 -20,-0.2 0.557 52.1 48.1-128.2 -42.0 53.5 27.6 70.8 113 121 A T S > S- 0 0 63 -3,-0.4 4,-0.8 1,-0.1 -25,-0.0 -0.239 85.7 -98.2 -97.9-168.2 56.9 26.8 71.9 114 122 A L H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.835 123.2 46.5 -75.0 -44.0 59.9 24.7 70.8 115 123 A E H > S+ 0 0 121 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.937 105.4 63.0 -64.7 -41.0 59.1 21.7 72.9 116 124 A D H > S+ 0 0 45 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.879 106.0 45.5 -47.9 -42.4 55.6 22.0 71.7 117 125 A L H >< S+ 0 0 1 -4,-0.8 3,-2.8 2,-0.2 -2,-0.2 0.998 108.8 53.0 -65.1 -66.1 57.0 21.3 68.5 118 126 A R H >< S+ 0 0 128 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.766 109.9 49.6 -33.5 -56.9 59.2 18.4 69.5 119 127 A K H 3< S+ 0 0 152 -4,-3.2 3,-0.3 1,-0.3 -1,-0.3 0.748 115.7 45.6 -58.3 -28.2 56.2 16.7 71.2 120 128 A N T XX + 0 0 45 -3,-2.8 3,-1.5 -4,-0.9 4,-0.6 -0.044 66.7 133.2-111.4 37.8 54.3 17.2 68.0 121 129 A E T <4 + 0 0 96 -3,-1.5 3,-0.5 1,-0.3 -1,-0.2 0.697 66.7 69.5 -56.2 -20.2 56.9 16.2 65.6 122 130 A D T 34 S+ 0 0 112 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.909 96.0 52.0 -65.8 -41.1 54.1 14.2 64.0 123 131 A K T <4 S+ 0 0 97 -3,-1.5 2,-0.3 -6,-0.2 -1,-0.2 0.589 95.3 84.5 -72.2 -10.2 52.5 17.5 62.8 124 132 A L S < S- 0 0 3 -4,-0.6 2,-0.1 -3,-0.5 -27,-0.0 -0.681 72.6-138.0 -93.5 156.3 55.6 18.8 61.2 125 133 A N > - 0 0 81 -2,-0.3 4,-2.9 -28,-0.1 5,-0.1 -0.341 38.2 -81.5 -96.6-177.6 56.6 17.8 57.7 126 134 A H H > S+ 0 0 99 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.932 127.3 41.7 -52.6 -56.8 60.0 16.9 56.5 127 135 A H H > S+ 0 0 41 1,-0.3 4,-3.8 2,-0.2 -1,-0.2 0.959 117.6 49.3 -54.1 -51.9 61.5 20.4 55.9 128 136 A Q H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.844 109.2 54.2 -54.3 -39.8 59.9 21.5 59.1 129 137 A R H X S+ 0 0 103 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.978 110.6 42.3 -62.2 -55.8 61.4 18.5 60.8 130 138 A I H X S+ 0 0 9 -4,-2.5 4,-2.0 1,-0.2 3,-0.2 0.901 111.1 60.2 -53.9 -44.7 64.9 19.2 59.7 131 139 A G H >< S+ 0 0 1 -4,-3.8 3,-0.6 -35,-0.4 -1,-0.2 0.926 106.4 43.7 -46.7 -57.9 64.2 22.8 60.6 132 140 A L H >< S+ 0 0 11 -4,-2.6 3,-0.8 1,-0.3 -1,-0.3 0.795 110.1 57.1 -59.0 -34.6 63.4 22.0 64.2 133 141 A K H 3< S+ 0 0 133 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.838 116.8 34.0 -68.0 -34.8 66.4 19.7 64.4 134 142 A Y T S+ 0 0 20 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.877 78.9 34.6 -39.8 -66.3 67.0 25.3 65.0 136 144 A G H >> S+ 0 0 37 -4,-0.2 3,-4.4 2,-0.2 4,-0.6 0.973 120.2 48.2 -55.7 -76.1 70.0 26.8 66.8 137 145 A D H >4 S+ 0 0 39 1,-0.3 3,-1.3 2,-0.2 -2,-0.2 0.750 108.3 58.7 -30.5 -45.2 72.8 25.9 64.1 138 146 A F H 3< S+ 0 0 37 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.2 0.814 103.2 49.8 -61.1 -31.2 70.5 27.3 61.5 139 147 A E H << S+ 0 0 96 -3,-4.4 2,-0.4 -4,-1.0 -1,-0.3 0.508 90.0 106.8 -84.7 -5.6 70.5 30.6 63.2 140 148 A K S << S- 0 0 97 -3,-1.3 -3,-0.0 -4,-0.6 -4,-0.0 -0.580 72.1-124.6 -78.1 124.4 74.2 30.7 63.4 141 149 A R - 0 0 151 -2,-0.4 40,-0.2 1,-0.1 -1,-0.1 -0.250 24.5-120.3 -62.5 155.2 76.1 33.0 61.1 142 150 A I E -A 180 0A 0 38,-4.5 38,-2.8 40,-0.1 2,-0.1 -0.897 20.5-137.7-103.6 115.9 78.7 31.3 58.9 143 151 A P E >> -A 179 0A 32 0, 0.0 3,-2.4 0, 0.0 4,-1.8 -0.491 17.7-125.3 -68.0 140.3 82.2 32.7 59.4 144 152 A R H 3> S+ 0 0 61 34,-3.1 4,-2.0 1,-0.3 5,-0.2 0.768 110.4 70.5 -57.2 -23.3 84.1 33.2 56.1 145 153 A E H 3> S+ 0 0 123 33,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.807 105.4 37.6 -61.4 -30.1 86.7 31.0 57.6 146 154 A E H <> S+ 0 0 27 -3,-2.4 4,-3.3 2,-0.2 5,-0.3 0.800 107.8 65.6 -85.5 -37.7 84.3 28.1 57.2 147 155 A M H X S+ 0 0 1 -4,-1.8 4,-3.3 1,-0.2 -2,-0.2 0.872 102.1 48.0 -49.5 -45.3 83.0 29.4 54.0 148 156 A L H X S+ 0 0 69 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.932 111.5 47.2 -66.1 -51.0 86.5 28.8 52.3 149 157 A Q H X S+ 0 0 70 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.952 117.1 47.8 -55.7 -47.6 86.9 25.2 53.6 150 158 A M H X S+ 0 0 1 -4,-3.3 4,-2.1 1,-0.3 -2,-0.2 0.958 110.8 47.2 -55.6 -56.1 83.4 24.7 52.5 151 159 A Q H X S+ 0 0 55 -4,-3.3 4,-1.8 -5,-0.3 -1,-0.3 0.824 106.9 62.6 -59.0 -27.8 83.8 26.2 49.1 152 160 A D H X S+ 0 0 86 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.991 103.8 44.5 -61.3 -57.5 86.9 24.2 48.9 153 161 A I H X S+ 0 0 41 -4,-2.1 4,-2.2 2,-0.2 3,-0.3 0.907 112.2 51.1 -53.8 -48.1 85.2 20.9 49.0 154 162 A V H X S+ 0 0 1 -4,-2.1 4,-3.1 1,-0.3 5,-0.4 0.969 108.5 51.9 -56.4 -53.8 82.4 21.8 46.6 155 163 A L H X S+ 0 0 59 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.3 0.757 111.0 47.3 -55.9 -31.0 84.6 23.0 44.0 156 164 A N H X S+ 0 0 76 -4,-1.5 4,-2.7 -3,-0.3 -1,-0.2 0.946 115.0 41.7 -79.2 -46.6 86.7 19.9 44.0 157 165 A E H X S+ 0 0 29 -4,-2.2 4,-1.9 2,-0.3 -2,-0.2 0.865 110.0 56.5 -65.4 -39.3 84.1 17.3 43.9 158 166 A V H X S+ 0 0 5 -4,-3.1 4,-1.2 -5,-0.3 -1,-0.2 0.838 112.3 50.5 -58.8 -31.4 82.0 19.2 41.4 159 167 A K H < S+ 0 0 124 -4,-0.6 3,-0.4 -5,-0.4 -2,-0.3 0.946 102.8 51.2 -70.9 -54.2 85.2 18.9 39.5 160 168 A K H < S+ 0 0 127 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.831 109.3 56.5 -54.8 -34.8 86.0 15.3 39.8 161 169 A V H < S- 0 0 51 -4,-1.9 2,-0.3 1,-0.3 -1,-0.2 0.871 129.0 -7.3 -64.2 -43.6 82.5 14.6 38.5 162 170 A D >< - 0 0 55 -4,-1.2 3,-1.0 -3,-0.4 -1,-0.3 -0.963 53.5-147.8-155.1 134.6 82.8 16.6 35.3 163 171 A S T 3 S+ 0 0 75 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.860 98.7 63.2 -74.3 -30.5 85.6 18.8 34.2 164 172 A E T 3 S+ 0 0 111 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.247 76.9 118.8 -75.0 12.1 83.2 21.0 32.4 165 173 A Y < - 0 0 18 -3,-1.0 2,-0.4 -6,-0.2 24,-0.2 -0.594 47.4-161.9 -81.3 155.1 81.4 21.9 35.5 166 174 A I E +B 188 0B 50 22,-1.3 22,-2.1 -2,-0.2 2,-0.4 -0.972 12.5 178.4-138.3 111.8 81.4 25.5 36.5 167 175 A A E -B 187 0B 20 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.903 6.5-171.5-121.6 150.3 80.6 26.4 40.0 168 176 A T E -B 186 0B 27 18,-1.6 18,-2.7 -2,-0.4 2,-1.3 -0.989 22.1-143.4-144.8 132.8 80.4 29.6 41.7 169 177 A V E +B 185 0B 10 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.719 35.6 171.1 -98.0 93.3 80.0 30.7 45.2 170 178 A C + 0 0 2 -2,-1.3 3,-0.2 14,-1.1 14,-0.2 0.338 29.4 76.3 -74.9-152.1 77.9 33.8 44.9 171 179 A G S >> S- 0 0 16 1,-0.2 3,-0.8 2,-0.2 4,-0.6 -0.230 105.1 -43.4 78.7-168.7 76.3 35.7 47.8 172 180 A S G >4>S+ 0 0 34 1,-0.2 3,-1.9 2,-0.2 5,-0.7 0.900 130.3 69.0 -64.7 -41.8 77.9 38.1 50.3 173 181 A F G >45S+ 0 0 16 1,-0.3 3,-0.5 -3,-0.2 -1,-0.2 0.676 98.6 53.7 -47.7 -25.4 80.9 35.7 50.6 174 182 A R G <45S+ 0 0 52 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.744 101.0 56.2 -81.5 -34.9 81.7 36.8 47.1 175 183 A R G <<5S- 0 0 71 -3,-1.9 2,-0.4 -4,-0.6 -1,-0.2 0.007 130.8 -90.6 -89.8 26.9 81.6 40.5 47.9 176 184 A G T < 5 + 0 0 36 -3,-0.5 -3,-0.2 1,-0.2 147,-0.1 -0.285 67.7 172.8 95.4 -45.1 84.3 39.9 50.6 177 185 A A < - 0 0 25 -5,-0.7 -1,-0.2 -2,-0.4 3,-0.1 0.540 33.2-142.8 -3.4 112.5 81.8 39.3 53.5 178 186 A E S S+ 0 0 139 1,-0.2 -34,-3.1 -35,-0.1 -33,-0.3 0.694 82.7 7.0 -61.4 -20.4 83.3 38.2 56.7 179 187 A S E -A 143 0A 36 -36,-0.3 2,-0.2 -35,-0.1 -1,-0.2 -0.954 66.6-160.8-162.4 142.5 80.4 35.9 57.4 180 188 A S E -A 142 0A 3 -38,-2.8 -38,-4.5 -2,-0.3 3,-0.1 -0.708 21.4-134.6-122.9 175.6 77.4 34.7 55.7 181 189 A G S S- 0 0 32 -2,-0.2 65,-0.5 -40,-0.2 2,-0.2 0.834 83.8 -4.0 -94.6 -37.4 74.1 33.1 56.6 182 190 A D S S- 0 0 79 63,-0.1 2,-0.4 -40,-0.1 65,-0.2 -0.690 72.1-107.2-139.8-173.9 73.9 30.3 54.0 183 191 A M E - c 0 247B 2 63,-0.8 65,-2.5 -2,-0.2 2,-0.6 -0.954 27.3-174.1-131.9 110.8 75.8 29.0 51.0 184 192 A D E - c 0 248B 28 -2,-0.4 -14,-1.1 -14,-0.2 2,-0.5 -0.950 3.8-167.5-114.6 118.5 74.6 29.4 47.4 185 193 A V E -Bc 169 249B 2 63,-2.5 65,-1.9 -2,-0.6 2,-0.3 -0.856 11.7-145.5-102.6 119.9 76.4 27.9 44.7 186 194 A L E -Bc 168 250B 0 -18,-2.7 -18,-1.6 -2,-0.5 2,-0.4 -0.629 25.6-160.0 -80.8 133.5 75.6 28.9 41.0 187 195 A L E +Bc 167 251B 1 63,-3.0 65,-3.8 -2,-0.3 2,-0.3 -0.955 21.2 154.1-137.9 138.7 75.9 26.1 38.6 188 196 A T E -Bc 166 252B 0 -22,-2.1 -22,-1.3 -2,-0.4 5,-0.0 -0.999 18.3-160.8-155.0 150.3 76.3 25.3 34.9 189 197 A H E > - 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