==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 12-APR-96 1ZQF . 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) . 18024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 70.0 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 . 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 . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 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 1 2 2 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 . 0 1 0 2 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 0 217 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -20.3 67.3 58.1 57.0 2 10 A T + 0 0 121 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.273 360.0 66.2-164.8 -19.9 67.2 59.4 60.6 3 11 A L S S+ 0 0 56 1,-0.1 4,-0.2 36,-0.1 3,-0.1 0.887 114.9 36.0 -80.0 -33.6 65.0 62.4 60.7 4 12 A N S >> S+ 0 0 8 35,-0.2 4,-1.8 1,-0.1 3,-0.6 0.563 90.4 114.3 -97.3 0.4 62.2 60.3 59.8 5 13 A G H 3> + 0 0 16 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.696 69.4 46.8 -22.0 -81.7 63.3 57.2 61.9 6 14 A G H 3> S+ 0 0 39 -4,-0.3 4,-3.2 2,-0.2 5,-0.3 0.872 114.9 52.4 -43.9 -46.6 60.8 56.6 64.7 7 15 A I H <> S+ 0 0 7 -3,-0.6 4,-2.9 1,-0.2 5,-0.2 0.979 112.2 39.8 -57.2 -67.3 58.1 57.0 62.3 8 16 A T H X S+ 0 0 18 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.827 117.3 52.4 -54.4 -32.9 59.2 54.6 59.7 9 17 A D H X S+ 0 0 103 -4,-3.3 4,-2.8 -5,-0.3 -1,-0.2 0.976 113.6 40.1 -66.8 -48.4 60.2 52.3 62.4 10 18 A M H X S+ 0 0 6 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.897 115.3 54.6 -58.5 -47.1 56.9 52.3 64.3 11 19 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.800 110.7 44.1 -56.1 -43.0 55.1 52.3 61.0 12 20 A T H X S+ 0 0 57 -4,-1.9 4,-3.0 -5,-0.2 5,-0.3 0.892 110.1 54.7 -73.7 -41.1 56.9 49.1 59.8 13 21 A E H X S+ 0 0 97 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.917 111.6 48.0 -53.6 -44.9 56.4 47.5 63.2 14 22 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.925 112.5 46.7 -60.0 -51.7 52.7 48.3 62.5 15 23 A A H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 3,-0.3 0.932 108.9 54.0 -56.2 -55.3 52.8 46.9 59.0 16 24 A N H X S+ 0 0 84 -4,-3.0 4,-1.8 1,-0.2 5,-0.2 0.834 106.1 54.5 -51.9 -38.9 54.5 43.7 59.9 17 25 A F H <>S+ 0 0 34 -4,-1.5 5,-1.3 -5,-0.3 -1,-0.2 0.954 104.4 50.0 -67.2 -44.7 52.0 43.0 62.5 18 26 A E H <5S+ 0 0 6 -4,-1.5 6,-0.5 -3,-0.3 4,-0.4 0.936 111.8 51.2 -55.5 -45.2 48.9 43.2 60.2 19 27 A K H <5S+ 0 0 81 -4,-1.8 -1,-0.2 4,-0.2 -2,-0.2 0.926 124.2 22.5 -55.7 -53.0 50.5 40.8 57.8 20 28 A N T <5S+ 0 0 19 -4,-1.8 -3,-0.1 -5,-0.2 -2,-0.1 0.943 128.2 36.1 -82.8 -87.3 51.5 38.1 60.4 21 29 A V T 5S+ 0 0 28 -5,-0.2 2,-0.2 -4,-0.1 -3,-0.2 0.733 131.7 25.4 -43.8 -29.7 49.4 38.2 63.5 22 30 A S S + 0 0 28 -6,-0.5 4,-2.6 1,-0.2 5,-0.3 -0.280 18.4 169.0 -54.4 62.7 45.2 42.2 56.9 25 33 A I H > S+ 0 0 100 -2,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.854 79.2 47.6 -42.5 -46.6 47.2 42.2 53.6 26 34 A H H > S+ 0 0 144 2,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.954 110.9 44.9 -63.1 -61.7 45.8 45.6 52.9 27 35 A K H > S+ 0 0 114 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.816 118.1 50.0 -56.1 -32.2 46.4 47.4 56.2 28 36 A Y H X S+ 0 0 31 -4,-2.6 4,-1.3 2,-0.2 -1,-0.3 0.951 108.6 46.8 -71.8 -47.6 49.6 45.9 56.0 29 37 A N H X S+ 0 0 80 -4,-2.4 4,-1.4 -5,-0.3 -2,-0.2 0.841 111.9 57.7 -60.7 -30.8 50.2 47.1 52.5 30 38 A A H >X S+ 0 0 31 -4,-2.8 4,-2.2 2,-0.2 3,-0.7 0.978 101.5 49.9 -59.6 -64.9 49.0 50.4 53.8 31 39 A Y H 3X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.769 110.8 54.9 -46.2 -35.8 51.5 51.0 56.5 32 40 A R H 3X S+ 0 0 132 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.821 104.9 44.6 -75.4 -40.2 54.2 50.2 54.1 33 41 A K H X S+ 0 0 34 -4,-2.8 4,-1.4 1,-0.2 3,-0.7 0.854 111.9 56.8 -64.0 -42.9 56.7 57.9 51.5 38 46 A I H 3< S+ 0 0 0 -4,-3.4 -1,-0.2 1,-0.2 -3,-0.2 0.775 105.7 57.0 -61.6 -24.8 57.3 59.3 55.0 39 47 A A H 3< S+ 0 0 45 -4,-0.6 -1,-0.2 -5,-0.4 -2,-0.2 0.778 103.9 48.1 -75.1 -31.6 60.8 58.1 54.6 40 48 A K H << S+ 0 0 172 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.789 85.3 112.5 -79.0 -30.1 61.7 60.0 51.4 41 49 A Y < - 0 0 52 -4,-1.4 4,-0.1 1,-0.1 -37,-0.1 -0.336 63.5-145.1 -56.2 119.2 60.3 63.2 52.9 42 50 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.128 69.4 61.4 -68.1 2.4 63.1 65.6 53.4 43 51 A H S S- 0 0 109 -39,-0.0 2,-0.6 -40,-0.0 -2,-0.0 -0.938 91.7 -89.4-137.0 162.2 61.9 67.3 56.6 44 52 A K - 0 0 104 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.542 41.9-129.0 -70.2 112.5 61.1 66.4 60.1 45 53 A I - 0 0 8 -2,-0.6 3,-0.1 1,-0.2 -1,-0.1 -0.388 28.3-177.2 -61.4 124.1 57.5 65.5 60.3 46 54 A K - 0 0 148 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.542 58.6 -0.9-104.1 -4.6 56.2 67.7 63.1 47 55 A S S > S- 0 0 39 1,-0.2 4,-1.6 22,-0.0 -1,-0.3 -0.975 71.3 -99.9-173.7 165.0 52.7 66.5 63.2 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.2 1,-0.2 3,-1.7 0.978 116.8 55.8 -53.0 -67.7 50.1 64.3 61.8 49 57 A A H 3> S+ 0 0 69 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.728 106.6 53.4 -35.2 -39.5 48.5 66.9 59.7 50 58 A E H >4 S+ 0 0 38 2,-0.2 3,-0.7 -3,-0.2 -1,-0.3 0.913 113.8 39.3 -65.4 -47.7 51.8 67.6 58.1 51 59 A A H X< S+ 0 0 0 -3,-1.7 3,-3.6 -4,-1.6 -2,-0.2 0.877 103.8 73.4 -64.1 -44.9 52.4 63.9 57.2 52 60 A K H 3< S+ 0 0 91 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.670 81.2 68.3 -43.3 -30.7 48.8 63.8 56.3 53 61 A K T << S+ 0 0 165 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.488 87.5 100.4 -72.4 -2.3 49.5 65.8 53.2 54 62 A L S X S- 0 0 38 -3,-3.6 3,-1.0 1,-0.1 2,-0.3 -0.342 86.8 -99.1 -83.5 164.2 51.4 62.8 51.9 55 63 A P T 3 S+ 0 0 95 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.603 112.8 17.5 -78.9 140.9 50.3 60.1 49.5 56 64 A G T 3 S+ 0 0 35 -2,-0.3 2,-1.4 1,-0.2 5,-0.2 0.309 98.4 123.1 81.9 -13.5 49.1 57.1 51.4 57 65 A V < + 0 0 9 -3,-1.0 -1,-0.2 -6,-0.2 2,-0.1 -0.570 35.9 159.4 -89.0 104.1 48.8 59.2 54.4 58 66 A G > - 0 0 25 -2,-1.4 4,-2.8 -3,-0.1 5,-0.2 -0.412 55.7 -83.5-107.2-170.1 45.4 59.1 55.8 59 67 A T H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.816 120.6 54.7 -60.6 -41.6 43.7 59.8 58.9 60 68 A K H > S+ 0 0 138 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.972 115.1 36.3 -60.8 -57.4 44.4 56.5 60.4 61 69 A I H >> S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 3,-0.6 0.921 115.5 55.8 -57.7 -51.5 48.1 56.6 60.0 62 70 A A H 3X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.910 104.0 53.9 -47.1 -53.1 48.3 60.3 60.7 63 71 A E H 3X S+ 0 0 132 -4,-2.4 4,-1.6 1,-0.3 -1,-0.3 0.840 107.7 53.1 -53.1 -35.0 46.5 59.9 64.0 64 72 A K H - 0 0 2 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.812 13.6-142.2-171.6 126.0 52.2 54.1 71.0 75 83 A R H > S+ 0 0 161 -2,-0.2 4,-4.2 2,-0.2 5,-0.2 0.984 101.4 53.6 -61.6 -57.8 49.6 51.9 72.9 76 84 A K H > S+ 0 0 70 1,-0.3 4,-2.6 2,-0.3 5,-0.3 0.842 114.2 45.5 -42.4 -41.5 48.7 49.6 70.0 77 85 A L H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.944 115.4 45.1 -71.3 -45.5 52.4 49.0 69.7 78 86 A E H X S+ 0 0 77 -4,-2.8 4,-0.7 1,-0.2 -2,-0.3 0.848 113.9 51.5 -67.5 -27.1 52.7 48.6 73.4 79 87 A K H X S+ 0 0 121 -4,-4.2 4,-2.2 -5,-0.2 3,-0.4 0.960 114.8 39.6 -70.4 -51.3 49.7 46.3 73.4 80 88 A I H < S+ 0 0 20 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.885 109.1 60.2 -62.6 -44.5 51.0 44.0 70.6 81 89 A R H < S+ 0 0 186 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.838 113.1 41.1 -54.8 -31.9 54.5 44.0 71.9 82 90 A Q H < S+ 0 0 137 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.944 88.0 109.0 -78.9 -54.2 52.9 42.5 75.0 83 91 A D X - 0 0 65 -4,-2.2 4,-3.0 1,-0.1 3,-0.2 -0.007 55.0-155.0 -37.4 99.3 50.3 40.1 73.4 84 92 A D H > S+ 0 0 99 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.834 90.4 53.1 -47.2 -43.2 51.4 36.5 73.9 85 93 A T H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.963 111.8 44.2 -62.6 -47.7 49.6 35.2 70.9 86 94 A S H > S+ 0 0 2 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 112.0 54.5 -63.2 -36.1 51.1 37.6 68.6 87 95 A S H X S+ 0 0 52 -4,-3.0 4,-2.0 1,-0.2 3,-0.4 0.971 104.2 56.7 -57.7 -50.8 54.4 37.0 70.3 88 96 A S H X S+ 0 0 12 -4,-3.0 4,-2.6 1,-0.3 5,-0.3 0.878 105.8 48.1 -47.2 -49.1 54.0 33.3 69.6 89 97 A I H X S+ 0 0 4 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.882 107.5 56.1 -63.2 -37.4 53.6 33.8 66.0 90 98 A N H < S+ 0 0 68 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.895 114.5 40.1 -57.6 -39.8 56.6 36.0 65.8 91 99 A F H >X S+ 0 0 61 -4,-2.0 3,-2.6 -3,-0.2 4,-0.5 0.924 109.7 53.4 -69.9 -64.1 58.6 33.3 67.4 92 100 A L H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.3 6,-0.3 0.814 99.5 69.9 -46.3 -34.2 57.3 30.1 65.6 93 101 A T T 3< S+ 0 0 44 -4,-1.5 -1,-0.3 -5,-0.3 4,-0.2 0.771 84.9 66.5 -58.0 -29.7 58.0 32.0 62.4 94 102 A R T <4 S+ 0 0 119 -3,-2.6 -1,-0.2 -4,-0.2 2,-0.2 0.826 77.9 96.5 -63.7 -31.8 61.8 31.6 63.0 95 103 A V S X< S- 0 0 1 -3,-1.2 3,-1.7 -4,-0.5 2,-0.6 -0.416 89.6-116.4 -60.1 123.2 61.6 27.9 62.6 96 104 A S T 3 S+ 0 0 37 1,-0.2 35,-0.4 35,-0.2 36,-0.2 -0.549 102.8 34.5 -69.2 116.1 62.6 27.3 59.0 97 105 A G T 3 S+ 0 0 31 -2,-0.6 2,-0.4 1,-0.4 -1,-0.2 -0.079 96.5 101.1 133.5 -29.7 59.5 25.8 57.3 98 106 A I < + 0 0 12 -3,-1.7 -1,-0.4 -6,-0.3 3,-0.0 -0.709 43.9 169.6 -87.7 125.0 57.1 27.8 59.3 99 107 A G > - 0 0 28 -2,-0.4 4,-1.9 -3,-0.1 5,-0.1 -0.394 54.3 -80.4-118.6-162.3 55.6 30.9 57.7 100 108 A P H > S+ 0 0 38 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.928 125.9 56.3 -72.1 -42.9 52.7 32.9 59.0 101 109 A S H > S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.935 113.7 40.0 -51.7 -54.4 50.0 30.6 57.8 102 110 A A H > S+ 0 0 16 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.938 111.5 56.9 -62.9 -47.3 51.4 27.7 59.6 103 111 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.881 105.9 50.7 -51.2 -43.3 52.3 29.7 62.7 104 112 A R H X S+ 0 0 58 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.952 112.8 45.8 -61.8 -47.2 48.7 30.8 63.1 105 113 A K H X S+ 0 0 92 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.968 109.7 53.7 -58.4 -53.5 47.4 27.4 62.9 106 114 A F H X>S+ 0 0 0 -4,-3.3 5,-3.2 1,-0.3 4,-1.1 0.806 112.9 46.5 -49.7 -32.8 50.1 26.0 65.3 107 115 A V H <5S+ 0 0 6 -4,-1.7 3,-0.3 -5,-0.3 -1,-0.3 0.904 104.9 56.1 -74.8 -47.5 49.0 28.6 67.7 108 116 A D H <5S+ 0 0 141 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.848 109.6 49.8 -53.9 -35.4 45.5 28.0 67.3 109 117 A E H <5S- 0 0 108 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.765 125.8-100.5 -72.9 -33.1 46.3 24.4 68.2 110 118 A G T <5S+ 0 0 36 -4,-1.1 2,-1.1 -3,-0.3 3,-0.3 0.403 78.9 132.1 125.7 0.5 48.3 25.4 71.3 111 119 A I < + 0 0 6 -5,-3.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.733 13.6 136.7 -88.6 102.5 51.8 25.1 70.0 112 120 A K + 0 0 74 -2,-1.1 -1,-0.2 -3,-0.1 2,-0.2 0.708 52.1 61.3-115.5 -37.6 53.5 28.2 71.0 113 121 A T S > S- 0 0 59 -3,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.469 81.2-110.6-100.1 167.8 56.9 27.0 72.2 114 122 A L H > S+ 0 0 26 1,-0.3 4,-1.3 2,-0.2 3,-0.3 0.951 122.5 44.6 -52.1 -51.8 60.0 25.3 71.0 115 123 A E H > S+ 0 0 124 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.866 106.5 60.6 -61.5 -38.9 59.2 22.3 73.1 116 124 A D H > S+ 0 0 43 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.897 104.4 51.6 -54.9 -41.2 55.5 22.4 72.0 117 125 A L H >< S+ 0 0 1 -4,-2.6 3,-0.7 -3,-0.3 -1,-0.3 0.884 108.0 50.8 -66.6 -36.3 56.8 21.9 68.6 118 126 A R H >< S+ 0 0 122 -4,-1.3 3,-2.3 1,-0.2 -2,-0.2 0.993 103.2 57.7 -63.2 -54.6 58.8 18.9 69.8 119 127 A K H 3< S+ 0 0 155 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.641 115.5 39.6 -47.6 -18.1 56.0 17.2 71.5 120 128 A N T XX + 0 0 38 -3,-0.7 3,-1.9 -4,-0.6 4,-0.5 -0.160 63.5 143.3-130.9 43.7 54.2 17.3 68.2 121 129 A E G X4 S+ 0 0 99 -3,-2.3 3,-0.7 1,-0.3 -1,-0.1 0.725 70.6 68.7 -53.3 -20.6 56.8 16.5 65.7 122 130 A D G 34 S+ 0 0 118 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.810 89.1 57.8 -67.7 -37.1 54.1 14.7 64.0 123 131 A K G <4 S+ 0 0 92 -3,-1.9 2,-0.3 -6,-0.1 -1,-0.2 0.638 97.4 84.9 -71.3 -12.4 52.1 17.7 63.0 124 132 A L S << S- 0 0 5 -3,-0.7 2,-0.1 -4,-0.5 5,-0.0 -0.648 72.9-132.4 -95.6 144.5 55.2 19.0 61.1 125 133 A N > - 0 0 84 -2,-0.3 4,-1.4 1,-0.1 5,-0.2 -0.371 39.7 -87.9 -86.0 173.2 56.4 18.3 57.6 126 134 A H H >> S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 3,-1.0 0.880 124.8 49.3 -43.9 -58.8 59.9 17.3 56.6 127 135 A H H 3> S+ 0 0 44 1,-0.3 4,-3.0 2,-0.2 3,-0.5 0.957 114.1 44.0 -46.3 -68.8 61.1 20.9 56.1 128 136 A Q H 3> S+ 0 0 13 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.670 110.9 58.3 -51.2 -21.6 59.8 22.1 59.4 129 137 A R H < S+ 0 0 10 -4,-1.3 3,-0.9 -5,-0.3 -1,-0.3 0.901 110.4 50.7 -65.5 -40.0 63.1 22.2 64.1 133 141 A K H 3< S+ 0 0 125 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.958 117.9 36.3 -62.8 -52.4 66.0 20.0 64.4 134 142 A Y T 3X S+ 0 0 21 -4,-3.6 4,-2.5 1,-0.2 -1,-0.2 -0.063 73.3 131.9 -96.5 36.4 68.5 22.6 63.5 135 143 A F H <> S+ 0 0 30 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.937 78.0 41.3 -50.7 -56.9 67.0 25.6 65.1 136 144 A G H >> S+ 0 0 39 -3,-0.3 3,-2.1 1,-0.2 4,-1.1 0.969 118.3 44.2 -53.6 -75.9 70.2 26.7 66.8 137 145 A D H 34 S+ 0 0 38 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.763 110.8 57.3 -38.4 -37.3 72.6 26.0 63.9 138 146 A F H 3< S+ 0 0 37 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.926 106.3 47.1 -66.2 -40.6 70.2 27.6 61.6 139 147 A E H << S+ 0 0 98 -3,-2.1 -2,-0.2 -4,-1.8 -1,-0.2 0.797 94.3 97.6 -70.0 -30.4 70.2 30.8 63.4 140 148 A K S < S- 0 0 115 -4,-1.1 2,-0.1 1,-0.1 -4,-0.0 -0.270 76.1-116.1 -64.3 139.4 74.1 31.0 63.7 141 149 A R - 0 0 137 -2,-0.1 40,-0.2 1,-0.1 -1,-0.1 -0.390 24.3-121.8 -74.0 153.0 76.2 33.1 61.3 142 150 A I E -A 180 0A 0 38,-5.1 38,-2.1 -2,-0.1 5,-0.1 -0.883 24.0-133.3-100.8 110.2 78.7 31.3 59.0 143 151 A P E >> -A 179 0A 40 0, 0.0 4,-1.9 0, 0.0 3,-1.3 -0.327 12.4-130.1 -62.8 141.2 82.4 32.6 59.5 144 152 A R H 3> S+ 0 0 70 34,-2.1 4,-2.3 1,-0.3 5,-0.3 0.844 111.5 67.2 -55.6 -34.8 84.2 33.3 56.3 145 153 A E H 3> S+ 0 0 121 33,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.886 109.2 38.2 -49.8 -43.4 86.9 31.2 57.8 146 154 A E H <> S+ 0 0 28 -3,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.827 107.9 60.6 -74.8 -42.0 84.3 28.4 57.3 147 155 A M H X S+ 0 0 1 -4,-1.9 4,-3.2 1,-0.3 -2,-0.2 0.817 105.3 51.1 -55.4 -36.9 82.8 29.5 54.0 148 156 A L H X S+ 0 0 72 -4,-2.3 4,-1.7 2,-0.2 -1,-0.3 0.897 108.2 53.1 -66.5 -44.0 86.3 29.1 52.5 149 157 A Q H X S+ 0 0 64 -4,-0.8 4,-1.4 -5,-0.3 -2,-0.2 0.896 115.6 39.3 -56.3 -45.4 86.3 25.6 54.1 150 158 A M H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.862 109.8 56.7 -71.9 -47.3 83.0 24.8 52.4 151 159 A Q H X S+ 0 0 57 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.853 105.6 57.4 -56.5 -33.3 83.7 26.5 49.1 152 160 A D H X S+ 0 0 92 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.954 109.1 40.9 -63.2 -53.3 86.8 24.2 49.0 153 161 A I H >X S+ 0 0 35 -4,-1.4 4,-1.9 1,-0.2 3,-0.6 0.975 112.9 56.9 -62.4 -47.7 84.9 21.0 49.3 154 162 A V H 3X S+ 0 0 1 -4,-2.8 4,-1.5 1,-0.3 -1,-0.2 0.869 108.3 43.1 -53.4 -42.8 82.2 22.2 47.0 155 163 A L H 3X S+ 0 0 58 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.3 0.766 110.2 63.6 -76.3 -20.7 84.4 23.0 44.0 156 164 A N H > S- 0 0 20 93,-0.4 4,-1.5 2,-0.2 3,-1.1 -0.188 106.9 -34.9 86.8-175.5 76.4 36.4 47.9 172 180 A S T 34>S+ 0 0 32 1,-0.3 5,-1.0 2,-0.2 -1,-0.2 0.743 135.5 63.5 -56.8 -21.5 78.1 38.6 50.5 173 181 A F T >45S+ 0 0 9 -3,-0.4 3,-1.3 1,-0.2 -1,-0.3 0.910 100.6 48.9 -65.2 -43.3 80.6 35.8 50.6 174 182 A R T <45S+ 0 0 53 -3,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.837 110.3 54.5 -57.8 -40.5 81.4 36.6 47.0 175 183 A R T 3<5S- 0 0 59 -4,-1.5 2,-0.5 90,-0.2 -1,-0.3 -0.148 124.3 -95.9 -84.9 23.6 81.6 40.3 48.1 176 184 A G T < 5 + 0 0 34 -3,-1.3 -3,-0.2 1,-0.2 -4,-0.1 -0.113 60.9 171.3 89.2 -42.7 84.2 39.8 50.9 177 185 A A < - 0 0 26 -5,-1.0 -1,-0.2 -2,-0.5 -33,-0.0 0.447 38.9-134.7 -9.4 117.6 81.8 39.6 53.9 178 186 A E S S+ 0 0 151 -35,-0.1 -34,-2.1 1,-0.1 -33,-0.3 0.757 88.5 2.5 -53.4 -24.1 83.3 38.6 57.3 179 187 A S E -A 143 0A 43 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.980 66.2-154.6-157.1 165.8 80.4 36.2 57.7 180 188 A S E -A 142 0A 3 -38,-2.1 -38,-5.1 -2,-0.3 3,-0.1 -0.907 22.0-132.3-143.1 168.8 77.4 34.9 55.9 181 189 A G S S- 0 0 37 -2,-0.3 2,-0.3 1,-0.3 65,-0.3 0.678 84.1 -17.4 -94.7 -27.2 74.0 33.4 56.7 182 190 A D S S- 0 0 68 -40,-0.1 2,-0.3 63,-0.1 -1,-0.3 -0.996 71.6 -91.9-167.5 171.0 74.2 30.5 54.3 183 191 A M E - c 0 247B 1 63,-2.1 65,-0.9 -2,-0.3 2,-0.3 -0.716 28.0-166.6 -99.0 156.6 75.9 29.3 51.3 184 192 A D E - c 0 248B 24 -14,-0.4 -14,-1.9 -2,-0.3 2,-0.6 -0.710 1.9-171.6-137.7 92.2 74.8 29.9 47.7 185 193 A V E -Bc 169 249B 2 63,-2.1 65,-1.4 -2,-0.3 2,-0.6 -0.641 8.6-156.5 -87.3 125.0 76.2 27.9 44.9 186 194 A L E -Bc 168 250B 2 -18,-3.0 -18,-1.1 -2,-0.6 2,-0.4 -0.842 20.1-163.5 -96.5 126.4 75.3 29.0 41.3 187 195 A L E +Bc 167 251B 1 63,-2.6 65,-1.4 -2,-0.6 2,-0.3 -0.884 18.3 155.2-119.3 145.5 75.7 26.2 38.9 188 196 A T E -Bc 166 252B 0 -22,-1.6 -22,-1.6 -2,-0.4 5,-0.1 -0.938 16.4-164.7-151.4 172.3 76.0 25.8 35.2 189 197 A H E > - c 0 253B 12 63,-0.7 3,-1.3 3,-0.4 65,-1.3 -0.952 29.7-124.0-156.9 151.3 77.2 23.5 32.5 190 198 A P T 3 S+ 0 0 61 0, 0.0 65,-0.1 0, 0.0 -25,-0.1 0.814 111.4 64.4 -68.3 -34.1 77.8 24.1 28.8 191 199 A S T 3 S+ 0 0 55 -27,-0.1 2,-0.4 1,-0.1 -27,-0.0 0.436 100.7 68.1 -70.8 3.9 75.7 21.2 27.9 192 200 A F < + 0 0 17 -3,-1.3 62,-4.3 60,-0.1 -3,-0.4 -0.964 60.1 125.9-136.9 121.3 72.8 23.4 29.5 193 201 A T - 0 0 28 3,-0.4 5,-0.2 -2,-0.4 3,-0.2 -0.962 69.3 -54.5-168.8 150.9 71.3 26.5 28.2 194 202 A S S S+ 0 0 68 -2,-0.3 4,-0.1 1,-0.2 62,-0.0 0.225 129.4 13.7 14.0 -69.5 68.1 28.3 27.3 195 203 A E S S+ 0 0 147 2,-0.1 -1,-0.2 3,-0.0 3,-0.2 0.943 92.2 103.9 -87.0 -64.5 66.8 25.7 24.7 196 204 A S S S- 0 0 42 1,-0.2 2,-1.8 -3,-0.2 -3,-0.4 0.125 86.4-119.0 -27.1 84.0 69.0 22.5 25.3 197 205 A T - 0 0 132 -5,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.096 48.1 -86.5 -52.5 79.7 66.2 20.8 27.1 198 206 A K - 0 0 93 -2,-1.8 27,-0.1 -5,-0.2 -5,-0.0 0.150 19.7-142.9 58.0-177.7 67.6 20.2 30.4 199 207 A Q >> - 0 0 78 25,-0.2 3,-2.5 -7,-0.0 4,-0.6 -0.184 17.0-177.2 172.7 65.1 69.6 17.5 32.0 200 208 A P H >> S+ 0 0 44 0, 0.0 4,-2.6 0, 0.0 3,-0.9 0.766 82.4 69.7 -43.0 -34.7 68.2 17.4 35.5 201 209 A K H 3> S+ 0 0 135 1,-0.3 4,-4.6 2,-0.2 5,-0.3 0.906 82.6 70.0 -52.4 -47.5 70.8 14.9 36.1 202 210 A L H <> S+ 0 0 1 -3,-2.5 4,-1.0 1,-0.3 -1,-0.3 0.830 109.4 35.6 -40.1 -43.9 73.3 17.7 35.9 203 211 A L H S+ 0 0 2 -4,-2.2 5,-2.3 1,-0.2 6,-2.1 0.586 116.3 46.8 -54.9 -23.8 78.3 16.0 47.9 211 219 A Q H ><5S+ 0 0 85 -4,-0.9 3,-2.2 -3,-0.4 -1,-0.2 0.853 101.0 64.3 -82.5 -47.8 76.2 13.5 49.9 212 220 A K H 3<5S+ 0 0 156 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.1 0.683 109.6 41.3 -49.6 -27.0 78.3 10.6 49.0 213 221 A V T 3<5S- 0 0 48 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.469 119.6-105.8-105.1 -5.0 81.0 12.2 50.9 214 222 A H T < 5S+ 0 0 141 -3,-2.2 -3,-0.2 2,-0.2 18,-0.1 0.629 87.5 113.0 91.2 14.6 79.0 13.6 53.9 215 223 A F S -c 189 0B 19 0, 0.0 3,-2.4 0, 0.0 -60,-0.4 -0.396 35.1-123.9 -56.2 123.3 71.8 27.4 31.5 254 262 A K G > S+ 0 0 53 -62,-4.3 3,-0.8 -65,-1.3 4,-0.3 0.732 109.8 66.9 -39.6 -31.1 75.5 28.3 30.7 255 263 A D G 3 S+ 0 0 75 -63,-0.4 -1,-0.3 1,-0.2 50,-0.2 0.278 106.4 36.4 -79.9 12.7 74.1 31.1 28.6 256 264 A Q G <> S+ 0 0 39 -3,-2.4 4,-1.5 -4,-0.1 -1,-0.2 0.261 85.4 106.3-145.6 11.4 72.7 33.0 31.5 257 265 A Y H X> S+ 0 0 2 -3,-0.8 4,-3.6 -4,-0.3 3,-0.5 0.985 75.1 47.8 -53.5 -79.8 75.3 32.4 34.2 258 266 A Y H 3> S+ 0 0 40 -4,-0.3 4,-4.0 1,-0.3 5,-0.2 0.735 114.2 45.7 -35.5 -50.0 77.2 35.8 34.5 259 267 A C H 3> S+ 0 0 6 29,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.938 117.8 46.8 -63.4 -43.8 74.1 38.0 34.7 260 268 A G H X S+ 0 0 5 -4,-4.0 3,-1.0 -5,-0.2 4,-0.9 0.991 113.3 47.6 -54.4 -60.4 76.3 39.3 38.8 263 271 A Y H >< S+ 0 0 63 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.846 111.3 45.8 -47.3 -55.3 73.0 39.7 40.1 264 272 A F H 3< S+ 0 0 75 -4,-2.6 -93,-0.4 1,-0.2 -1,-0.3 0.695 103.9 66.5 -68.9 -20.3 73.2 37.3 43.0 265 273 A T H << S+ 0 0 0 -4,-1.5 -1,-0.2 -3,-1.0 -2,-0.2 0.716 90.6 133.9 -71.4 -27.1 76.5 38.8 44.0 266 274 A G << - 0 0 6 -4,-0.9 2,-0.2 -3,-0.9 -1,-0.2 -0.223 66.8-145.8 67.9-155.2 74.8 42.1 44.8 267 275 A S > - 0 0 15 59,-0.3 4,-1.9 3,-0.1 -1,-0.2 0.677 38.4-123.8 -75.8-172.0 74.7 44.1 46.7 268 276 A D H > S+ 0 0 127 1,-0.2 4,-2.1 -2,-0.2 -2,-0.1 0.916 114.3 40.0 -56.0 -41.9 71.1 44.9 46.4 269 277 A I H > S+ 0 0 70 57,-0.3 4,-3.3 2,-0.2 5,-0.3 0.893 107.9 57.5 -73.9 -45.5 72.2 48.5 45.7 270 278 A F H > S+ 0 0 0 56,-0.4 4,-2.4 55,-0.4 -1,-0.2 0.840 113.4 46.7 -51.8 -35.9 75.2 47.8 43.5 271 279 A N H X S+ 0 0 6 -4,-1.9 4,-4.5 2,-0.2 5,-0.2 0.988 110.3 46.7 -64.5 -68.6 72.7 46.1 41.4 272 280 A K H X S+ 0 0 145 -4,-2.1 4,-3.9 1,-0.2 -2,-0.2 0.899 117.5 46.7 -43.4 -53.6 70.0 48.6 41.3 273 281 A N H X S+ 0 0 92 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.930 114.1 44.1 -60.2 -49.8 72.5 51.3 40.6 274 282 A M H X S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.931 116.4 51.6 -60.2 -39.8 74.4 49.3 37.9 275 283 A R H X S+ 0 0 65 -4,-4.5 4,-1.0 1,-0.2 3,-0.3 0.945 105.3 52.1 -58.6 -52.3 71.0 48.5 36.6 276 284 A A H >X S+ 0 0 52 -4,-3.9 4,-0.7 1,-0.2 3,-0.6 0.887 110.2 52.1 -52.4 -42.2 69.8 52.0 36.6 277 285 A H H >X S+ 0 0 41 -4,-2.2 4,-3.0 1,-0.2 3,-0.6 0.826 97.2 61.5 -64.6 -39.7 72.9 52.9 34.5 278 286 A A H 3<>S+ 0 0 0 -4,-2.0 5,-3.4 -3,-0.3 -1,-0.2 0.828 98.9 63.4 -57.2 -29.0 72.4 50.3 31.8 279 287 A L H X<5S+ 0 0 83 -4,-1.0 3,-0.7 -3,-0.6 -1,-0.2 0.841 108.0 38.0 -59.3 -45.4 69.1 52.2 31.2 280 288 A E H <<5S+ 0 0 133 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.955 110.5 60.4 -72.1 -52.4 70.9 55.3 30.2 281 289 A K T 3<5S- 0 0 83 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.415 127.5-101.8 -56.9 3.5 73.5 53.2 28.5 282 290 A G T < 5S+ 0 0 28 -3,-0.7 11,-2.2 1,-0.3 2,-0.3 0.799 83.0 112.2 77.5 36.9 70.7 51.9 26.3 283 291 A F E < -F 292 0C 35 -5,-3.4 2,-0.4 9,-0.3 -1,-0.3 -0.862 56.7-137.5-138.9 172.5 70.3 48.6 28.0 284 292 A T E -F 291 0C 39 7,-1.9 7,-1.9 -2,-0.3 2,-0.4 -0.989 17.5-171.1-135.5 119.9 68.3 46.3 30.2 285 293 A I E +F 290 0C 21 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.893 15.3 152.9-112.7 142.9 69.6 44.1 32.9 286 294 A N E > -F 289 0C 44 3,-1.3 3,-2.1 -2,-0.4 -26,-0.1 -0.877 64.0 -80.6-168.4 140.7 67.8 41.4 34.8 287 295 A E T 3 S+ 0 0 62 1,-0.3 -23,-0.1 -2,-0.3 -24,-0.1 0.507 125.6 33.7 -18.0 -26.7 68.9 38.3 36.6 288 296 A Y T 3 S- 0 0 126 -29,-0.2 -1,-0.3 -28,-0.1 -29,-0.2 0.724 118.0 -6.9-115.1 -26.6 69.1 36.4 33.2 289 297 A T E < -F 286 0C 22 -3,-2.1 -3,-1.3 -30,-0.1 2,-0.2 -0.725 50.5-118.8-147.6-158.0 70.1 38.6 30.4 290 298 A I E -F 285 0C 0 -2,-0.2 13,-3.5 -5,-0.2 -5,-0.2 -0.790 28.3-171.8-162.1 107.7 70.9 42.0 29.0 291 299 A R E -F 284 0C 84 -7,-1.9 -7,-1.9 -2,-0.2 2,-0.3 -0.841 24.3-118.6-109.3 142.6 68.9 43.4 26.2 292 300 A P E -F 283 0C 40 0, 0.0 2,-0.3 0, 0.0 -9,-0.3 -0.584 34.2-119.9 -77.2 138.8 69.5 46.5 24.1 293 301 A L - 0 0 54 -11,-2.2 2,-0.5 -2,-0.3 5,-0.1 -0.589 18.4-149.0 -84.0 140.3 66.7 49.1 24.4 294 302 A G > - 0 0 21 -2,-0.3 3,-1.6 1,-0.1 -12,-0.0 -0.916 19.7-126.4-109.3 133.4 64.8 50.2 21.4 295 303 A V T 3 S+ 0 0 149 -2,-0.5 -1,-0.1 1,-0.3 4,-0.1 0.781 95.6 84.8 -46.9 -39.8 63.5 53.7 21.3 296 304 A T T 3 S- 0 0 129 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.601 127.2 -80.9 -38.4 -19.0 59.8 52.7 20.5 297 305 A G S < S+ 0 0 56 -3,-1.6 2,-0.3 1,-0.2 -1,-0.2 -0.351 104.0 10.9 144.4 -47.7 59.7 52.4 24.3 298 306 A V - 0 0 105 -5,-0.1 2,-0.3 -6,-0.0 -2,-0.2 -0.845 58.4-178.6-144.6 178.6 61.2 49.0 24.8 299 307 A A - 0 0 38 -2,-0.3 2,-0.2 -3,-0.1 -8,-0.1 -0.956 9.7-148.7-171.1 173.6 63.0 46.3 23.0 300 308 A G + 0 0 27 -2,-0.3 -16,-0.0 -7,-0.1 -2,-0.0 -0.577 36.1 123.3-136.5-164.6 64.5 42.7 23.3 301 309 A E - 0 0 143 -2,-0.2 -1,-0.0 -10,-0.1 -8,-0.0 0.909 54.6-124.8 98.0 63.0 67.4 40.6 21.9 302 310 A P - 0 0 63 0, 0.0 -11,-0.2 0, 0.0 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