==== 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 8ICK . 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) . 18001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.4 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 . 30 9.2 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 . 12 3.7 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 . 126 38.5 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 2 1 0 0 1 1 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 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 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 0 215 0, 0.0 39,-0.1 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -29.1 67.2 58.1 56.8 2 10 A T + 0 0 127 3,-0.0 4,-0.3 4,-0.0 0, 0.0 0.291 360.0 65.5-150.4 -17.2 67.5 59.4 60.3 3 11 A L S S+ 0 0 64 1,-0.2 4,-0.2 2,-0.1 3,-0.2 0.947 116.0 25.1 -81.7 -50.5 65.1 62.2 60.2 4 12 A N S >> S+ 0 0 6 35,-0.2 4,-1.6 37,-0.2 3,-0.9 0.563 92.5 119.8 -93.5 2.8 62.0 60.3 59.6 5 13 A G H 3> S+ 0 0 15 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.714 70.8 43.9 -24.0 -77.1 63.4 57.2 61.2 6 14 A G H 3> S+ 0 0 38 -4,-0.3 4,-4.1 1,-0.2 5,-0.4 0.875 114.6 56.6 -46.1 -39.9 61.0 56.4 64.2 7 15 A I H <> S+ 0 0 8 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.974 111.4 36.6 -57.4 -62.5 58.2 57.2 61.9 8 16 A T H X S+ 0 0 19 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.821 118.5 56.5 -62.2 -29.4 59.1 54.7 59.2 9 17 A D H >X S+ 0 0 106 -4,-3.2 4,-2.3 -5,-0.4 3,-0.5 0.992 107.7 41.4 -67.7 -51.9 60.1 52.4 62.0 10 18 A M H 3X S+ 0 0 6 -4,-4.1 4,-2.1 1,-0.2 -1,-0.2 0.869 114.5 58.5 -58.0 -34.9 56.9 52.4 63.9 11 19 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.4 -1,-0.2 0.820 106.4 45.5 -62.7 -38.3 55.2 52.2 60.5 12 20 A T H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.3 3,-1.1 0.966 111.4 53.2 -55.6 -56.2 52.7 46.7 58.6 16 24 A N H 3X S+ 0 0 87 -4,-2.8 4,-1.6 1,-0.3 5,-0.4 0.832 106.9 53.8 -52.2 -35.4 54.5 43.8 59.6 17 25 A F H 3X>S+ 0 0 35 -4,-1.5 5,-1.5 -5,-0.3 4,-0.6 0.884 104.6 51.7 -75.0 -29.0 52.1 43.1 62.1 18 26 A E H + 0 0 26 -6,-0.9 4,-2.7 1,-0.2 5,-0.3 -0.603 21.8 169.7 -95.6 67.1 45.3 42.1 56.4 25 33 A I H > S+ 0 0 106 -2,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.812 77.4 57.7 -43.8 -39.4 47.4 42.3 53.3 26 34 A H H > S+ 0 0 149 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.960 110.7 35.8 -60.4 -60.7 45.7 45.7 52.6 27 35 A K H > S+ 0 0 106 1,-0.3 4,-2.5 2,-0.3 5,-0.3 0.852 116.8 56.4 -62.8 -35.2 46.5 47.6 55.8 28 36 A Y H X S+ 0 0 36 -4,-2.7 4,-0.7 1,-0.3 -1,-0.3 0.888 107.9 47.1 -63.4 -35.2 49.7 45.9 55.7 29 37 A N H X S+ 0 0 77 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.3 0.796 110.0 55.4 -75.2 -28.4 50.1 47.3 52.3 30 38 A A H >X S+ 0 0 31 -4,-1.7 4,-2.0 1,-0.2 3,-0.8 0.997 101.7 53.3 -63.4 -64.6 49.0 50.7 53.6 31 39 A Y H 3X S+ 0 0 10 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.694 110.5 53.7 -40.6 -30.4 51.6 51.0 56.3 32 40 A R H 3X S+ 0 0 137 -4,-0.7 4,-3.0 -5,-0.3 -1,-0.3 0.910 103.1 45.5 -82.8 -43.6 54.1 50.3 53.8 33 41 A K H X S+ 0 0 35 -4,-3.6 3,-1.4 2,-0.2 4,-1.3 0.941 110.6 53.4 -71.0 -54.0 56.8 57.7 51.4 38 46 A I H 3< S+ 0 0 0 -4,-4.1 -1,-0.2 1,-0.3 -3,-0.2 0.768 107.2 61.7 -55.5 -20.9 57.4 59.4 54.8 39 47 A A H 3< S+ 0 0 46 -4,-1.2 -1,-0.3 -5,-0.5 -2,-0.2 0.876 99.5 49.5 -71.7 -38.1 60.9 58.0 54.2 40 48 A K H << S+ 0 0 164 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.778 85.9 115.9 -70.5 -28.4 61.5 60.0 51.1 41 49 A Y < - 0 0 48 -4,-1.3 -37,-0.2 1,-0.1 4,-0.1 -0.276 58.9-148.8 -57.6 125.7 60.5 63.2 52.8 42 50 A P + 0 0 86 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.031 68.8 62.3 -75.5 8.5 63.2 65.7 53.1 43 51 A H S S- 0 0 107 -39,-0.0 2,-0.5 0, 0.0 -2,-0.0 -0.981 90.2 -92.5-144.4 160.8 62.0 67.3 56.3 44 52 A K - 0 0 120 -2,-0.4 2,-0.4 1,-0.1 -40,-0.1 -0.512 44.2-130.2 -68.7 117.7 61.4 66.6 59.8 45 53 A I - 0 0 5 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.584 26.4-177.2 -74.7 127.1 57.8 65.6 60.1 46 54 A K - 0 0 139 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.572 57.1 -5.6 -98.0 -15.3 56.3 67.7 62.8 47 55 A S S > S- 0 0 36 1,-0.2 4,-1.8 22,-0.0 -1,-0.2 -0.981 73.2 -90.1-169.0 171.9 52.7 66.4 63.0 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-4.0 1,-0.2 3,-1.3 0.987 119.4 53.4 -53.1 -68.0 50.1 64.2 61.5 49 57 A A H 3> S+ 0 0 69 1,-0.3 4,-1.4 2,-0.3 -1,-0.2 0.737 106.3 50.6 -36.9 -44.9 48.8 66.9 59.2 50 58 A E H 34 S+ 0 0 39 2,-0.2 3,-0.3 1,-0.2 -1,-0.3 0.928 119.6 37.8 -64.3 -42.3 52.1 67.6 57.7 51 59 A A H X< S+ 0 0 0 -4,-1.8 3,-3.7 -3,-1.3 -2,-0.3 0.954 107.8 66.6 -64.7 -53.7 52.6 64.0 57.0 52 60 A K H 3< S+ 0 0 88 -4,-4.0 -1,-0.2 1,-0.3 -2,-0.2 0.646 86.6 68.7 -35.7 -39.7 49.0 63.7 56.2 53 61 A K T 3< S+ 0 0 170 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.685 86.0 97.9 -56.9 -26.8 49.5 65.9 53.1 54 62 A L S X S- 0 0 34 -3,-3.7 3,-1.4 -4,-0.2 2,-0.3 -0.307 87.5-104.3 -69.7 148.7 51.4 63.0 51.7 55 63 A P T 3 S+ 0 0 97 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.536 108.0 24.6 -73.1 131.0 50.1 60.5 49.4 56 64 A G T 3 S+ 0 0 29 -2,-0.3 2,-0.8 1,-0.2 -22,-0.3 0.107 98.8 107.8 99.9 -20.1 49.4 57.3 51.2 57 65 A V < + 0 0 8 -3,-1.4 -1,-0.2 -6,-0.2 2,-0.2 -0.791 44.5 167.4-101.0 123.1 49.0 59.0 54.4 58 66 A G > - 0 0 23 -2,-0.8 4,-2.9 -3,-0.1 5,-0.2 -0.411 52.5 -78.2-113.0-168.1 45.7 59.2 55.7 59 67 A T H > S+ 0 0 82 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.843 122.0 54.5 -63.2 -37.1 43.9 60.0 58.7 60 68 A K H > S+ 0 0 139 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.947 115.5 36.7 -67.5 -47.3 44.6 56.7 60.4 61 69 A I H >> S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 3,-0.9 0.897 113.0 58.6 -71.2 -39.7 48.3 56.8 60.0 62 70 A A H 3X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.861 104.0 54.2 -56.7 -33.2 48.4 60.5 60.6 63 71 A E H 3X S+ 0 0 137 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.3 0.814 106.0 51.3 -71.2 -27.6 46.8 59.8 63.9 64 72 A K H - 0 0 3 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.988 16.1-139.3-145.6 130.9 52.3 54.2 70.6 75 83 A R H >> S+ 0 0 163 -2,-0.3 4,-3.3 1,-0.2 3,-0.7 0.986 101.5 52.4 -60.7 -53.6 49.7 52.0 72.5 76 84 A K H 3> S+ 0 0 79 1,-0.3 4,-2.7 2,-0.3 5,-0.2 0.851 111.8 46.6 -48.9 -39.0 49.0 49.6 69.7 77 85 A L H 3> S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.865 115.1 48.8 -72.9 -30.2 52.6 48.9 69.3 78 86 A E H X S+ 0 0 127 -4,-3.3 4,-2.1 2,-0.2 3,-1.1 0.965 116.2 47.4 -68.0 -54.7 49.7 46.3 73.1 80 88 A I H 3< S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.848 107.2 56.5 -52.8 -42.2 51.1 44.1 70.2 81 89 A R H 3< S+ 0 0 188 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.789 111.7 43.7 -63.4 -30.0 54.5 43.9 71.7 82 90 A Q H << S+ 0 0 136 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.860 86.4 111.5 -83.9 -38.2 52.9 42.4 74.8 83 91 A D X - 0 0 69 -4,-2.1 4,-3.1 1,-0.1 5,-0.2 -0.122 51.6-161.1 -46.4 109.9 50.5 40.0 73.0 84 92 A D H > S+ 0 0 98 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.908 89.8 53.5 -63.1 -39.1 51.6 36.6 73.5 85 93 A T H > S+ 0 0 51 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.960 114.1 42.7 -57.1 -49.5 49.6 35.3 70.6 86 94 A S H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.890 112.0 53.2 -65.3 -35.7 51.3 37.7 68.5 87 95 A S H X S+ 0 0 51 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.944 110.2 50.5 -62.0 -43.9 54.6 37.1 70.0 88 96 A S H X S+ 0 0 13 -4,-3.0 4,-2.1 1,-0.2 5,-0.3 0.912 107.1 50.5 -59.8 -49.6 54.2 33.5 69.4 89 97 A I H X S+ 0 0 5 -4,-3.0 4,-1.2 -5,-0.2 -1,-0.2 0.885 109.4 54.9 -60.4 -35.2 53.3 33.9 65.8 90 98 A N H < S+ 0 0 67 -4,-2.0 4,-0.3 -5,-0.2 -2,-0.2 0.945 111.9 41.2 -59.8 -49.9 56.4 36.0 65.5 91 99 A F H >< S+ 0 0 64 -4,-2.4 3,-1.8 2,-0.2 4,-0.4 0.855 107.8 55.7 -64.6 -49.3 58.8 33.5 66.9 92 100 A L H >< S+ 0 0 0 -4,-2.1 3,-2.8 1,-0.3 6,-0.2 0.910 96.8 69.6 -53.2 -41.7 57.5 30.2 65.2 93 101 A T T 3< S+ 0 0 39 -4,-1.2 5,-0.3 -5,-0.3 -1,-0.3 0.769 85.4 69.0 -47.7 -32.6 58.0 32.0 62.0 94 102 A R T < S+ 0 0 121 -3,-1.8 -1,-0.3 -4,-0.3 2,-0.2 0.751 75.0 97.7 -63.5 -25.9 61.7 31.8 62.6 95 103 A V S X S- 0 0 2 -3,-2.8 3,-2.4 -4,-0.4 2,-0.4 -0.454 92.5-106.3 -65.0 130.8 61.8 28.1 62.1 96 104 A S T 3 S+ 0 0 41 35,-0.3 35,-0.4 1,-0.3 36,-0.2 -0.403 107.9 22.9 -61.4 116.6 62.8 27.4 58.6 97 105 A G T 3 S+ 0 0 34 -2,-0.4 2,-0.6 1,-0.4 -1,-0.3 0.355 94.9 108.6 111.3 -8.9 59.6 26.3 56.8 98 106 A I < + 0 0 8 -3,-2.4 -1,-0.4 -5,-0.3 26,-0.0 -0.955 44.5 178.4-108.4 120.7 57.2 27.9 59.1 99 107 A G > - 0 0 30 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.443 46.6 -86.0-107.9 178.0 55.5 30.8 57.5 100 108 A P H > S+ 0 0 42 0, 0.0 4,-3.7 0, 0.0 5,-0.1 0.884 123.4 55.2 -57.7 -46.8 52.8 33.0 59.0 101 109 A S H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.881 113.8 38.9 -59.4 -42.3 50.0 30.9 58.0 102 110 A A H > S+ 0 0 14 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.855 113.0 57.1 -76.5 -32.3 51.3 27.9 59.7 103 111 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.944 106.8 50.7 -59.7 -44.5 52.5 29.9 62.5 104 112 A R H X S+ 0 0 55 -4,-3.7 4,-1.8 1,-0.2 -2,-0.2 0.958 112.3 45.7 -53.3 -56.9 48.9 31.0 62.9 105 113 A K H X S+ 0 0 98 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.868 109.1 52.5 -55.6 -50.5 47.6 27.5 62.9 106 114 A F H X>S+ 0 0 0 -4,-3.0 5,-3.7 1,-0.3 4,-1.0 0.903 109.5 52.0 -57.2 -39.5 50.1 26.0 65.3 107 115 A V H <5S+ 0 0 2 -4,-1.8 3,-0.4 -5,-0.3 -1,-0.3 0.923 106.5 53.5 -61.4 -44.5 49.3 28.7 67.7 108 116 A D H <5S+ 0 0 127 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.972 107.5 47.8 -53.8 -61.4 45.7 27.9 67.3 109 117 A E H <5S- 0 0 120 -4,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.677 130.0-103.0 -52.8 -16.2 46.3 24.3 68.1 110 118 A G T <5S+ 0 0 31 -4,-1.0 2,-0.9 -3,-0.4 -3,-0.3 0.708 75.7 137.3 102.5 19.8 48.3 25.8 71.1 111 119 A I < + 0 0 6 -5,-3.7 -1,-0.2 1,-0.2 -2,-0.1 -0.867 9.0 139.4-104.0 102.4 51.9 25.4 69.9 112 120 A K + 0 0 76 -2,-0.9 -1,-0.2 -3,-0.1 2,-0.2 0.721 53.0 65.7-111.6 -35.1 53.7 28.5 70.8 113 121 A T S > S- 0 0 62 -3,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.497 81.4-116.7 -94.7 158.9 57.1 27.2 72.0 114 122 A L H > S+ 0 0 27 1,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.863 119.6 51.1 -57.7 -38.4 60.0 25.3 70.5 115 123 A E H > S+ 0 0 122 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.833 105.7 55.2 -70.5 -32.3 59.3 22.5 72.8 116 124 A D H > S+ 0 0 42 1,-0.3 4,-1.3 2,-0.2 3,-0.4 0.993 106.4 51.5 -60.3 -55.9 55.7 22.5 71.7 117 125 A L H < S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.764 108.8 54.3 -49.0 -30.3 56.9 22.1 68.3 118 126 A R H >< S+ 0 0 121 -4,-0.9 3,-1.9 -5,-0.2 -1,-0.3 0.936 103.9 49.4 -74.8 -46.4 58.9 19.2 69.5 119 127 A K H 3< S+ 0 0 160 -4,-2.5 -1,-0.2 -3,-0.4 3,-0.2 0.661 117.0 47.5 -66.8 -10.0 56.2 17.2 71.1 120 128 A N T >< + 0 0 34 -4,-1.3 3,-2.6 -5,-0.2 4,-0.3 0.115 62.6 134.3-119.0 28.1 54.4 17.7 68.0 121 129 A E G X + 0 0 101 -3,-1.9 3,-1.0 1,-0.3 -1,-0.1 0.706 68.0 72.4 -45.7 -20.7 57.0 16.9 65.4 122 130 A D G 3 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.763 91.8 52.4 -64.0 -34.9 54.3 14.8 63.8 123 131 A K G < S+ 0 0 83 -3,-2.6 2,-0.3 -6,-0.1 -1,-0.2 0.339 94.2 89.4 -85.3 -1.1 52.4 17.9 62.6 124 132 A L S < S- 0 0 4 -3,-1.0 -26,-0.0 -4,-0.3 5,-0.0 -0.789 74.3-129.6-100.4 143.6 55.4 19.3 60.9 125 133 A N > - 0 0 84 -2,-0.3 4,-1.2 -28,-0.1 5,-0.2 -0.125 39.3 -90.8 -78.7-174.6 56.4 18.6 57.3 126 134 A H H >> S+ 0 0 108 2,-0.2 4,-2.7 1,-0.2 3,-0.6 0.963 125.1 52.6 -62.5 -48.4 59.9 17.5 56.4 127 135 A H H 3> S+ 0 0 44 1,-0.3 4,-3.1 2,-0.2 3,-0.2 0.936 112.1 44.6 -48.0 -59.1 61.2 21.0 55.8 128 136 A Q H 3> S+ 0 0 16 1,-0.3 4,-2.6 -31,-0.2 -1,-0.3 0.733 109.6 58.6 -59.1 -26.2 60.0 22.2 59.2 129 137 A R H < S+ 0 0 9 -4,-2.6 3,-1.0 -5,-0.2 -1,-0.2 0.885 109.7 57.2 -68.7 -38.1 63.3 22.5 63.9 133 141 A K H 3< S+ 0 0 128 -4,-2.6 2,-0.4 1,-0.3 3,-0.3 0.977 117.7 28.0 -55.2 -63.9 66.1 20.2 63.9 134 142 A Y T 3X S+ 0 0 22 -4,-2.5 4,-1.5 1,-0.2 -1,-0.3 -0.255 78.4 134.6 -94.6 44.4 68.9 22.7 63.2 135 143 A F H <> S+ 0 0 29 -3,-1.0 4,-0.8 -2,-0.4 -1,-0.2 0.928 77.2 40.2 -58.1 -46.3 67.1 25.7 64.7 136 144 A G H >> S+ 0 0 38 -3,-0.3 3,-1.8 1,-0.2 4,-0.6 0.988 114.6 51.1 -65.6 -62.5 70.2 26.9 66.5 137 145 A D H 34 S+ 0 0 34 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.687 108.0 55.3 -49.6 -23.9 72.7 26.1 63.7 138 146 A F H 3< S+ 0 0 44 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.758 100.0 57.0 -85.7 -21.5 70.5 28.0 61.3 139 147 A E H << S+ 0 0 96 -3,-1.8 -1,-0.2 -4,-0.8 2,-0.2 0.564 90.7 96.7 -82.6 -7.0 70.5 31.2 63.2 140 148 A K S < S- 0 0 110 -4,-0.6 2,-0.1 -3,-0.3 -3,-0.0 -0.495 75.9-116.5 -84.7 147.2 74.3 31.5 63.2 141 149 A R - 0 0 143 -2,-0.2 40,-0.2 1,-0.1 -1,-0.1 -0.464 28.2-118.1 -79.1 155.7 76.4 33.5 60.9 142 150 A I E -A 180 0A 0 38,-5.7 38,-1.6 -2,-0.1 5,-0.1 -0.785 25.1-136.4 -99.3 98.5 78.9 31.6 58.6 143 151 A P E >> -A 179 0A 39 0, 0.0 3,-2.5 0, 0.0 4,-1.2 -0.294 11.9-131.9 -56.6 130.2 82.5 32.6 59.4 144 152 A R H 3> S+ 0 0 61 34,-2.2 4,-2.7 1,-0.3 5,-0.2 0.785 106.2 70.5 -46.5 -42.2 84.4 33.2 56.2 145 153 A E H 3> S+ 0 0 126 33,-0.3 4,-0.5 1,-0.3 -1,-0.3 0.779 109.1 37.0 -47.2 -35.0 87.2 31.1 57.6 146 154 A E H <> S+ 0 0 27 -3,-2.5 4,-2.7 2,-0.2 -1,-0.3 0.702 107.1 63.8 -87.2 -35.1 84.6 28.2 57.1 147 155 A M H X S+ 0 0 3 -4,-1.2 4,-3.5 1,-0.2 5,-0.2 0.920 101.0 55.2 -57.4 -41.7 83.1 29.5 53.9 148 156 A L H X S+ 0 0 77 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.872 109.6 44.2 -57.1 -46.9 86.6 29.0 52.4 149 157 A Q H X S+ 0 0 58 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.870 114.6 49.3 -69.1 -37.6 86.7 25.3 53.4 150 158 A M H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.958 113.2 46.0 -64.4 -52.2 83.2 24.7 52.2 151 159 A Q H X S+ 0 0 60 -4,-3.5 4,-2.1 -5,-0.2 -2,-0.2 0.888 109.1 58.0 -57.3 -39.1 83.9 26.4 48.9 152 160 A D H X S+ 0 0 85 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.970 111.1 40.6 -53.9 -55.8 87.0 24.4 48.8 153 161 A I H X S+ 0 0 35 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.926 111.2 52.8 -59.7 -54.5 85.1 21.2 49.0 154 162 A V H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.919 109.4 52.2 -52.1 -44.1 82.2 22.0 46.8 155 163 A L H X S+ 0 0 55 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.892 108.0 50.5 -58.0 -44.5 84.6 23.0 44.0 156 164 A N H X S+ 0 0 79 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.921 111.1 44.1 -61.2 -54.5 86.6 19.8 44.2 157 165 A E H X S+ 0 0 24 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.935 111.0 56.7 -60.8 -43.3 83.9 17.3 44.0 158 166 A V H X S+ 0 0 3 -4,-2.1 4,-1.8 -5,-0.3 3,-0.3 0.906 111.0 43.3 -49.9 -47.9 82.2 19.3 41.2 159 167 A K H < S+ 0 0 147 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.845 107.4 62.5 -65.8 -36.8 85.3 19.1 39.2 160 168 A K H < S+ 0 0 129 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.822 109.1 40.7 -60.6 -31.9 85.6 15.5 40.2 161 169 A V H < S+ 0 0 46 -4,-1.8 2,-0.5 1,-0.4 -2,-0.2 0.935 133.0 3.4 -84.7 -69.8 82.4 14.7 38.5 162 170 A D < - 0 0 47 -4,-1.8 -1,-0.4 -5,-0.2 3,-0.3 -0.939 58.0-154.8-115.1 149.4 82.4 16.6 35.4 163 171 A S S S+ 0 0 87 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.648 93.4 65.9 -86.9 -18.4 85.5 18.6 34.5 164 172 A E S S+ 0 0 112 -3,-0.1 2,-0.2 -6,-0.1 -1,-0.2 0.471 75.9 109.2 -77.8 -13.4 83.3 20.8 32.5 165 173 A Y - 0 0 16 -3,-0.3 2,-0.5 -7,-0.3 24,-0.2 -0.498 52.6-155.0 -75.9 140.2 81.2 22.2 35.3 166 174 A I E -B 188 0B 55 22,-1.5 22,-1.6 -2,-0.2 2,-0.3 -0.936 15.3-179.5-110.6 125.1 81.6 25.8 36.3 167 175 A A E -B 187 0B 23 -2,-0.5 2,-0.3 20,-0.2 20,-0.2 -0.920 7.6-177.2-126.1 153.8 80.7 26.8 39.9 168 176 A T E -B 186 0B 28 18,-1.2 18,-2.5 -2,-0.3 2,-1.1 -0.966 24.3-137.2-147.5 128.7 80.8 30.1 41.7 169 177 A V E -B 185 0B 4 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.793 35.1-172.1 -91.9 104.8 80.0 30.8 45.3 170 178 A C + 0 0 3 14,-2.0 14,-0.4 -2,-1.1 3,-0.4 0.152 34.4 66.1 -78.3-164.7 78.0 34.0 45.0 171 179 A G S > S- 0 0 18 93,-1.2 4,-1.0 90,-0.2 3,-0.5 -0.350 106.0 -37.1 88.6-169.9 76.7 36.2 47.7 172 180 A S T 4>S+ 0 0 27 1,-0.3 5,-0.7 2,-0.2 -1,-0.2 0.756 133.2 64.3 -65.1 -27.6 78.5 38.5 50.2 173 181 A F T >45S+ 0 0 11 -3,-0.4 3,-1.4 1,-0.2 -1,-0.3 0.915 101.4 50.6 -62.0 -39.4 81.2 35.9 50.5 174 182 A R T 345S+ 0 0 50 -3,-0.5 149,-0.3 -4,-0.3 -1,-0.2 0.877 110.3 51.3 -61.5 -38.2 81.9 36.6 46.9 175 183 A R T 3<5S- 0 0 63 -4,-1.0 -1,-0.3 90,-0.2 2,-0.3 0.004 129.3 -87.8 -83.3 14.8 82.0 40.3 47.8 176 184 A G T < 5 + 0 0 32 -3,-1.4 -3,-0.2 1,-0.2 -4,-0.1 -0.296 65.7 170.5 109.1 -54.5 84.5 40.1 50.6 177 185 A A < - 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