==== 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 8ICF . 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) . 18014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 70.3 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 . 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 . 1 0.3 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 5 1 0 0 2 1 1 0 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 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 0 215 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -13.5 67.2 58.1 56.8 2 10 A T + 0 0 119 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.139 360.0 80.0-173.0 -20.2 66.9 59.1 60.5 3 11 A L S S+ 0 0 58 1,-0.2 42,-0.4 36,-0.1 36,-0.0 0.679 113.7 23.8 -76.8 -9.9 65.0 62.2 60.3 4 12 A N S > S+ 0 0 10 40,-0.1 4,-2.1 35,-0.1 3,-0.4 0.420 88.1 126.2-130.2 2.3 62.0 60.0 60.0 5 13 A G H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.683 73.5 42.0 -24.8 -63.2 63.3 56.9 61.6 6 14 A G H >>S+ 0 0 34 -4,-0.3 4,-3.9 2,-0.3 5,-0.5 0.961 111.7 53.6 -60.0 -54.0 60.7 56.2 64.3 7 15 A I H >5S+ 0 0 7 -3,-0.4 4,-1.4 1,-0.3 -1,-0.2 0.862 114.8 46.6 -50.7 -34.7 57.7 57.1 62.2 8 16 A T H X5S+ 0 0 20 -4,-2.1 4,-2.6 2,-0.2 -1,-0.3 0.875 113.1 44.4 -77.5 -37.5 59.2 54.6 59.9 9 17 A D H X5S+ 0 0 96 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.906 113.8 48.3 -73.5 -35.6 59.9 51.9 62.4 10 18 A M H X5S+ 0 0 6 -4,-3.9 4,-3.8 1,-0.2 5,-0.2 0.956 114.0 51.3 -59.4 -48.0 56.7 52.1 64.2 11 19 A L H XX S+ 0 0 5 -4,-2.4 4,-1.7 1,-0.2 3,-0.9 0.967 105.5 55.8 -55.8 -63.1 52.6 46.9 59.2 16 24 A N H 3X S+ 0 0 88 -4,-3.7 4,-2.0 1,-0.3 5,-0.3 0.764 104.0 60.0 -45.0 -31.6 54.5 43.7 59.9 17 25 A F H 3X>S+ 0 0 38 -4,-1.7 5,-1.4 2,-0.2 4,-0.8 0.932 101.4 45.9 -68.2 -48.4 51.9 43.0 62.3 18 26 A E H <<5S+ 0 0 7 -4,-1.4 6,-2.3 -3,-0.9 -1,-0.2 0.837 112.4 56.4 -64.8 -29.4 48.8 42.9 60.1 19 27 A K H <5S+ 0 0 84 -4,-1.7 -2,-0.2 4,-0.2 -1,-0.2 0.992 118.8 23.0 -67.1 -58.3 50.7 40.9 57.7 20 28 A N H <5S+ 0 0 20 -4,-2.0 -3,-0.1 3,-0.1 -2,-0.1 0.996 131.4 32.2 -71.1 -71.8 51.7 37.9 60.0 21 29 A V T <5S+ 0 0 28 -4,-0.8 -3,-0.2 -5,-0.3 -4,-0.1 0.985 127.2 32.0 -54.7 -68.3 49.3 37.8 62.8 22 30 A S S + 0 0 22 -6,-2.3 4,-4.5 -2,-0.6 5,-0.3 -0.406 15.0 162.0-128.2 60.4 45.5 42.0 56.4 25 33 A I H > S+ 0 0 89 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.813 76.4 56.2 -36.4 -51.1 47.5 42.5 53.3 26 34 A H H > S+ 0 0 148 2,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.944 114.5 34.2 -50.5 -66.1 45.6 45.7 52.5 27 35 A K H > S+ 0 0 109 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.873 119.0 57.6 -57.0 -44.3 46.4 47.5 55.8 28 36 A Y H X S+ 0 0 33 -4,-4.5 4,-1.4 1,-0.2 -1,-0.3 0.893 108.3 40.4 -60.2 -40.0 49.5 45.8 55.6 29 37 A N H X S+ 0 0 81 -4,-3.5 4,-2.2 -5,-0.3 5,-0.3 0.888 109.8 66.1 -73.7 -33.0 50.5 47.2 52.2 30 38 A A H X S+ 0 0 28 -4,-3.0 4,-1.8 -5,-0.3 5,-0.2 0.948 100.8 46.8 -48.7 -54.7 49.0 50.4 53.6 31 39 A Y H X S+ 0 0 12 -4,-2.8 4,-3.6 1,-0.2 5,-0.2 0.931 110.0 52.7 -56.5 -48.2 51.7 50.7 56.2 32 40 A R H X S+ 0 0 127 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.847 109.2 45.9 -61.0 -37.0 54.6 50.0 53.8 33 41 A K H X S+ 0 0 75 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.951 115.3 47.7 -70.5 -42.9 53.8 52.5 51.2 34 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 5,-0.3 0.946 114.3 48.0 -54.5 -50.0 53.3 55.0 53.9 35 43 A A H X S+ 0 0 10 -4,-3.6 4,-1.1 -5,-0.2 -1,-0.3 0.850 110.3 53.7 -58.2 -37.3 56.5 53.8 55.3 36 44 A S H < S+ 0 0 55 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.948 111.7 40.7 -64.9 -50.9 58.0 54.1 52.0 37 45 A V H >X S+ 0 0 35 -4,-2.9 4,-1.8 1,-0.2 3,-1.0 0.878 112.4 51.8 -68.0 -45.3 57.0 57.8 51.3 38 46 A I H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.830 102.1 63.8 -63.7 -28.9 57.8 59.2 54.7 39 47 A A T 3< S+ 0 0 45 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.803 107.8 42.3 -61.5 -29.6 61.2 57.7 54.5 40 48 A K T <4 S+ 0 0 168 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.931 83.4 114.3 -80.6 -51.3 61.9 59.9 51.6 41 49 A Y < - 0 0 52 -4,-1.8 2,-0.3 1,-0.2 4,-0.1 0.025 65.5-136.0 -37.4 118.0 60.5 63.1 52.8 42 50 A P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.105 73.5 56.5 -65.0 17.6 63.2 65.6 53.3 43 51 A H S S- 0 0 105 -2,-0.3 2,-0.7 -40,-0.0 -2,-0.0 -0.994 89.8 -88.4-155.3 163.8 62.1 66.9 56.6 44 52 A K - 0 0 121 -2,-0.3 2,-0.4 1,-0.1 -40,-0.1 -0.629 45.9-127.9 -75.4 115.0 61.3 66.2 60.2 45 53 A I - 0 0 7 -2,-0.7 3,-0.1 -42,-0.4 -1,-0.1 -0.454 27.6-176.1 -64.4 118.2 57.6 65.3 60.3 46 54 A K + 0 0 147 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.479 58.8 1.2 -96.5 -2.0 56.1 67.6 63.0 47 55 A S > - 0 0 37 1,-0.2 4,-1.7 22,-0.0 -1,-0.2 -0.997 66.9-104.0-172.3 170.4 52.7 66.3 62.9 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.7 2,-0.2 3,-0.3 0.969 117.4 55.2 -66.7 -52.2 50.0 64.0 61.6 49 57 A A H > S+ 0 0 72 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.861 110.2 46.6 -45.5 -45.9 48.5 66.8 59.6 50 58 A E H 4 S+ 0 0 42 2,-0.2 3,-0.5 1,-0.2 -1,-0.3 0.848 114.3 46.9 -66.3 -39.5 51.8 67.4 57.9 51 59 A A H >< S+ 0 0 0 -4,-1.7 3,-3.1 -3,-0.3 -2,-0.2 0.947 102.7 64.4 -64.6 -48.0 52.3 63.8 57.3 52 60 A K H 3< S+ 0 0 90 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.627 85.4 73.5 -43.6 -33.7 48.9 63.4 56.0 53 61 A K T 3< S+ 0 0 166 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.679 85.6 91.3 -59.5 -23.6 49.8 65.7 53.1 54 62 A L S < S- 0 0 33 -3,-3.1 2,-0.5 -4,-0.2 3,-0.4 -0.201 87.7-103.3 -74.2 168.4 51.7 62.8 51.8 55 63 A P S S+ 0 0 94 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.793 108.1 26.7 -94.3 131.0 50.5 60.1 49.5 56 64 A G S S+ 0 0 29 -2,-0.5 2,-1.0 -4,-0.1 -22,-0.3 0.023 96.3 116.5 99.4 -17.7 49.6 56.8 51.0 57 65 A V + 0 0 7 -3,-0.4 -1,-0.1 -6,-0.2 -26,-0.0 -0.689 39.9 171.3 -94.8 96.0 48.9 58.8 54.3 58 66 A G > - 0 0 33 -2,-1.0 4,-1.3 -3,-0.1 5,-0.1 0.083 51.1 -88.2 -80.2-170.6 45.4 58.5 55.3 59 67 A T H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 122.1 60.2 -72.8 -41.3 43.7 59.6 58.4 60 68 A K H > S+ 0 0 138 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.810 108.8 42.2 -54.8 -38.9 44.4 56.3 60.1 61 69 A I H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.811 109.1 57.6 -81.6 -31.9 48.1 56.7 59.8 62 70 A A H X S+ 0 0 10 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.943 104.5 53.5 -62.0 -44.6 48.2 60.3 60.7 63 71 A E H X S+ 0 0 123 -4,-2.3 4,-1.7 1,-0.3 3,-0.3 0.940 108.6 47.9 -53.9 -52.5 46.5 59.5 64.0 64 72 A K H X S+ 0 0 33 -4,-1.2 4,-1.9 1,-0.3 -1,-0.3 0.872 107.6 57.4 -61.3 -33.2 49.1 57.0 64.8 65 73 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.3 0.894 104.6 52.5 -67.0 -32.4 51.7 59.5 63.9 66 74 A D H >X S+ 0 0 70 -4,-2.3 4,-3.6 -3,-0.3 3,-0.7 0.997 108.0 47.3 -63.8 -59.0 50.4 62.0 66.4 67 75 A E H 3X S+ 0 0 71 -4,-1.7 4,-2.7 1,-0.3 6,-0.5 0.863 116.0 45.9 -46.9 -45.6 50.4 59.7 69.4 68 76 A F H 3< S+ 0 0 56 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.841 113.9 50.0 -71.3 -28.2 53.8 58.5 68.6 69 77 A L H << S+ 0 0 59 -4,-1.7 -2,-0.2 -3,-0.7 -1,-0.2 0.964 119.1 37.3 -70.4 -47.5 54.8 62.1 68.0 70 78 A A H < S+ 0 0 88 -4,-3.6 2,-0.5 1,-0.2 -2,-0.2 0.965 126.6 29.1 -65.4 -59.7 53.3 63.2 71.3 71 79 A T S < S- 0 0 71 -4,-2.7 2,-2.9 2,-0.3 -1,-0.2 -0.926 88.4-115.0-108.4 127.2 54.2 60.2 73.6 72 80 A G S S+ 0 0 76 -2,-0.5 2,-0.3 -3,-0.1 -4,-0.1 0.305 94.7 34.2 -46.5 17.4 57.4 58.1 72.9 73 81 A K S S- 0 0 101 -2,-2.9 2,-0.4 -6,-0.5 -2,-0.3 -0.913 74.3-119.9-157.4-175.0 55.2 55.2 72.1 74 82 A L > - 0 0 3 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 -0.995 15.6-137.0-137.4 139.7 51.9 54.0 70.7 75 83 A R H > S+ 0 0 157 -2,-0.4 4,-3.2 2,-0.2 3,-0.4 0.988 104.4 45.3 -59.7 -62.8 49.2 52.0 72.5 76 84 A K H > S+ 0 0 81 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.829 114.5 51.9 -47.3 -37.5 48.4 49.5 69.8 77 85 A L H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.941 111.2 46.7 -66.9 -42.8 52.0 49.1 69.4 78 86 A E H X S+ 0 0 78 -4,-2.5 4,-1.4 -3,-0.4 -2,-0.2 0.940 110.8 52.3 -61.2 -47.4 52.3 48.5 73.1 79 87 A K H X S+ 0 0 120 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.865 113.1 43.0 -55.3 -45.2 49.4 46.1 73.1 80 88 A I H < S+ 0 0 24 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.857 107.5 57.7 -68.8 -43.3 50.8 43.8 70.3 81 89 A R H < S+ 0 0 181 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.840 115.9 40.7 -56.6 -36.0 54.3 43.8 71.6 82 90 A Q H < S+ 0 0 133 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.986 87.9 101.8 -74.5 -72.3 52.7 42.4 74.8 83 91 A D X - 0 0 71 -4,-2.6 4,-2.2 1,-0.1 5,-0.2 0.202 61.1-147.5 -26.9 114.4 50.1 39.9 73.5 84 92 A D H > S+ 0 0 102 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.873 91.2 54.6 -55.6 -47.6 51.2 36.4 73.7 85 93 A T H > S+ 0 0 42 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.971 111.8 44.0 -53.4 -59.8 49.5 35.0 70.6 86 94 A S H > S+ 0 0 1 1,-0.3 4,-1.8 2,-0.2 3,-0.3 0.892 113.4 52.4 -54.2 -41.0 50.9 37.5 68.3 87 95 A S H X S+ 0 0 49 -4,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.888 104.8 57.2 -63.5 -35.0 54.3 37.0 70.0 88 96 A S H X S+ 0 0 13 -4,-2.7 4,-2.9 -3,-0.4 5,-0.2 0.853 105.5 50.4 -61.6 -37.7 54.0 33.2 69.4 89 97 A I H X S+ 0 0 4 -4,-1.6 4,-2.0 -3,-0.3 -1,-0.2 0.951 105.8 51.6 -68.2 -53.6 53.6 33.7 65.8 90 98 A N H < S+ 0 0 69 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.720 116.7 47.0 -58.5 -17.7 56.6 35.9 65.2 91 99 A F H >< S+ 0 0 60 -4,-0.8 3,-2.4 -5,-0.2 -2,-0.2 0.901 107.9 47.7 -86.2 -56.6 58.4 33.2 67.1 92 100 A L H >< S+ 0 0 0 -4,-2.9 3,-2.6 1,-0.3 -2,-0.2 0.910 101.8 70.7 -49.8 -42.8 57.2 29.9 65.5 93 101 A T T 3< S+ 0 0 40 -4,-2.0 -1,-0.3 1,-0.3 5,-0.2 0.545 77.8 76.7 -51.1 -16.8 57.9 31.5 62.2 94 102 A R T < S+ 0 0 116 -3,-2.4 2,-0.4 -5,-0.1 -1,-0.3 0.596 74.2 98.9 -77.6 -8.9 61.7 31.4 62.9 95 103 A V S X S- 0 0 4 -3,-2.6 3,-3.1 -4,-0.2 2,-0.4 -0.612 87.6-114.3 -80.2 128.8 61.5 27.8 62.0 96 104 A S T 3 S+ 0 0 41 -2,-0.4 35,-0.6 1,-0.3 36,-0.2 -0.530 109.1 29.1 -66.5 120.5 62.6 27.0 58.5 97 105 A G T 3 S+ 0 0 26 -2,-0.4 2,-0.5 1,-0.4 -1,-0.3 0.295 101.8 101.0 109.4 0.5 59.4 25.7 57.0 98 106 A I < + 0 0 14 -3,-3.1 -1,-0.4 -5,-0.2 3,-0.0 -0.971 41.6 154.3-121.3 138.8 57.2 27.7 59.1 99 107 A G > - 0 0 26 -2,-0.5 4,-3.3 -3,-0.1 5,-0.2 -0.788 58.9 -64.0-144.3-178.2 55.6 30.9 58.0 100 108 A P H > S+ 0 0 41 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.823 126.6 48.0 -40.9 -51.1 52.6 32.9 58.8 101 109 A S H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.966 117.2 37.6 -60.8 -59.0 50.0 30.4 57.8 102 110 A A H > S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.916 114.3 60.5 -60.6 -38.8 51.4 27.4 59.6 103 111 A A H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.941 108.3 41.0 -54.1 -51.1 52.3 29.7 62.5 104 112 A R H X S+ 0 0 47 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.911 114.2 53.4 -65.8 -37.8 48.8 30.8 63.1 105 113 A K H < S+ 0 0 105 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.920 110.6 47.2 -62.6 -38.8 47.5 27.3 62.6 106 114 A F H >X>S+ 0 0 0 -4,-3.0 5,-2.5 2,-0.2 3,-1.6 0.930 112.7 48.1 -65.7 -46.4 49.9 25.9 65.2 107 115 A V H ><5S+ 0 0 4 -4,-2.2 3,-2.0 -5,-0.3 -2,-0.2 0.974 104.6 58.0 -60.0 -52.7 49.1 28.5 67.7 108 116 A D T 3<5S+ 0 0 132 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.570 110.8 46.1 -58.3 -3.6 45.5 28.0 67.3 109 117 A E T <45S- 0 0 106 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.451 126.4-101.6-108.2 -18.8 46.2 24.5 68.2 110 118 A G T <<5S+ 0 0 35 -3,-2.0 2,-1.3 -4,-1.0 3,-0.3 0.286 77.0 133.2 112.8 -8.4 48.3 25.4 71.1 111 119 A I < + 0 0 6 -5,-2.5 -1,-0.3 1,-0.2 -2,-0.1 -0.612 16.5 149.0 -78.2 105.1 51.8 24.9 69.9 112 120 A K + 0 0 75 -2,-1.3 2,-0.3 -3,-0.1 -1,-0.2 0.538 53.7 45.4-109.5 -12.5 53.4 28.1 71.0 113 121 A T S > S- 0 0 55 -3,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.858 81.6-104.7-138.5 173.3 56.8 26.9 71.6 114 122 A L H > S+ 0 0 32 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.759 119.9 49.9 -56.2 -28.5 59.8 25.0 70.6 115 123 A E H > S+ 0 0 121 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.973 107.9 51.5 -76.5 -47.8 59.0 22.4 73.0 116 124 A D H > S+ 0 0 43 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.839 107.5 57.1 -49.3 -40.5 55.5 22.1 71.8 117 125 A L H < S+ 0 0 1 -4,-3.0 3,-0.4 1,-0.2 -1,-0.3 0.944 106.5 45.9 -62.0 -47.5 56.9 21.8 68.5 118 126 A R H >< S+ 0 0 119 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.928 108.6 55.0 -62.3 -43.8 59.0 18.9 69.4 119 127 A K H 3< S+ 0 0 159 -4,-3.0 3,-0.2 1,-0.3 -1,-0.2 0.793 115.3 43.5 -57.1 -27.0 56.1 17.1 71.2 120 128 A N T >< + 0 0 42 -4,-1.5 3,-2.3 -3,-0.4 -1,-0.3 -0.067 67.3 133.2-110.8 33.2 54.3 17.5 68.1 121 129 A E G X S+ 0 0 99 -3,-1.9 3,-2.5 1,-0.3 -1,-0.2 0.850 70.7 65.8 -50.1 -38.1 56.8 16.6 65.4 122 130 A D G 3 S+ 0 0 119 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.774 94.8 57.9 -56.5 -26.4 54.3 14.4 63.8 123 131 A K G < S+ 0 0 85 -3,-2.3 2,-0.3 -6,-0.2 -1,-0.3 0.395 98.0 82.4 -82.2 -0.7 52.2 17.5 63.0 124 132 A L S < S- 0 0 6 -3,-2.5 2,-0.3 -4,-0.2 0, 0.0 -0.897 75.6-131.6-111.0 140.5 55.2 18.9 61.1 125 133 A N >> - 0 0 92 -2,-0.3 4,-1.6 -28,-0.1 3,-1.0 -0.675 40.2 -94.1 -91.3 143.5 56.3 18.1 57.5 126 134 A H H 3> S+ 0 0 109 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.580 122.4 56.5 -26.2 -40.7 59.9 17.2 56.7 127 135 A H H >> S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 3,-0.8 0.998 113.9 39.9 -61.1 -59.4 61.0 20.7 55.9 128 136 A Q H <> S+ 0 0 10 -3,-1.0 4,-2.7 1,-0.3 5,-0.3 0.806 107.7 64.9 -55.6 -35.3 59.9 21.9 59.2 129 137 A R H 3X S+ 0 0 97 -4,-1.6 4,-2.6 1,-0.3 -1,-0.3 0.916 109.3 39.2 -56.6 -39.9 61.2 18.8 60.8 130 138 A I H < S+ 0 0 12 -4,-2.7 3,-2.0 -36,-0.2 4,-0.3 0.967 110.7 55.7 -67.6 -58.6 63.2 22.4 64.1 133 141 A K H 3< S+ 0 0 131 -4,-2.6 3,-0.2 1,-0.3 -2,-0.2 0.832 121.9 27.1 -47.9 -43.3 66.0 20.0 64.3 134 142 A Y T 3X S+ 0 0 19 -4,-2.8 4,-3.4 1,-0.2 -1,-0.3 0.182 78.7 130.1-110.6 22.9 68.6 22.5 63.4 135 143 A F H <> S+ 0 0 20 -3,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.813 77.9 46.8 -39.6 -44.6 66.9 25.6 64.7 136 144 A G H >> S+ 0 0 44 -4,-0.3 3,-2.1 -3,-0.2 4,-0.9 0.999 113.9 45.0 -64.9 -63.9 70.0 26.5 66.6 137 145 A D H >4 S+ 0 0 32 1,-0.3 3,-0.6 2,-0.2 -2,-0.2 0.859 107.5 63.5 -47.9 -39.5 72.5 26.0 63.7 138 146 A F H 3< S+ 0 0 44 -4,-3.4 -1,-0.3 1,-0.2 -2,-0.2 0.758 102.6 45.6 -62.9 -22.6 70.0 27.8 61.4 139 147 A E H << S+ 0 0 101 -3,-2.1 2,-0.4 -4,-0.8 -1,-0.2 0.672 91.5 100.4 -93.2 -14.5 70.3 31.1 63.2 140 148 A K S << S- 0 0 112 -4,-0.9 -4,-0.0 -3,-0.6 0, 0.0 -0.582 72.7-124.4 -76.3 121.1 74.1 31.0 63.5 141 149 A R - 0 0 133 -2,-0.4 40,-0.2 1,-0.1 -1,-0.1 0.128 24.7-109.7 -52.8 168.2 76.0 33.1 61.0 142 150 A I E -A 180 0A 1 38,-1.7 38,-1.1 40,-0.1 -1,-0.1 -0.904 22.9-134.9-112.4 110.6 78.7 31.6 58.7 143 151 A P E >> -A 179 0A 41 0, 0.0 3,-2.2 0, 0.0 4,-1.8 -0.405 14.3-133.5 -61.0 133.4 82.2 32.6 59.5 144 152 A R H 3> S+ 0 0 63 34,-3.2 4,-2.2 1,-0.3 5,-0.3 0.920 109.3 63.1 -52.3 -45.0 84.0 33.4 56.2 145 153 A E H 34 S+ 0 0 120 33,-0.4 4,-0.5 1,-0.3 -1,-0.3 0.726 107.2 45.1 -50.0 -26.4 86.8 31.2 57.5 146 154 A E H <> S+ 0 0 28 -3,-2.2 4,-2.3 2,-0.2 -1,-0.3 0.803 106.4 57.2 -84.2 -42.4 84.2 28.5 57.3 147 155 A M H X S+ 0 0 2 -4,-1.8 4,-3.0 1,-0.2 3,-0.5 0.955 105.6 51.3 -53.4 -56.8 82.8 29.4 53.9 148 156 A L H X S+ 0 0 76 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.849 108.8 52.8 -51.0 -41.1 86.4 29.1 52.4 149 157 A Q H > S+ 0 0 66 -4,-0.5 4,-0.6 -5,-0.3 -1,-0.3 0.928 113.8 42.4 -62.1 -40.2 86.5 25.6 54.0 150 158 A M H X S+ 0 0 1 -4,-2.3 4,-2.5 -3,-0.5 3,-0.3 0.929 112.3 50.1 -66.4 -53.4 83.2 24.7 52.4 151 159 A Q H X S+ 0 0 59 -4,-3.0 4,-2.6 1,-0.3 5,-0.4 0.878 105.5 59.0 -54.3 -43.7 83.7 26.1 49.0 152 160 A D H X S+ 0 0 91 -4,-1.9 4,-0.9 -5,-0.3 -1,-0.3 0.854 108.6 47.5 -58.7 -31.6 87.0 24.3 48.9 153 161 A I H X S+ 0 0 45 -4,-0.6 4,-1.6 -3,-0.3 -2,-0.3 0.959 112.3 44.4 -77.1 -44.7 84.9 21.3 49.4 154 162 A V H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 3,-0.4 0.938 107.9 54.8 -63.4 -48.1 82.3 21.8 46.8 155 163 A L H X S+ 0 0 58 -4,-2.6 4,-2.4 1,-0.3 5,-0.2 0.886 107.1 56.2 -52.9 -40.5 84.5 23.0 43.9 156 164 A N H X S+ 0 0 86 -4,-0.9 4,-2.0 -5,-0.4 -1,-0.3 0.885 110.3 40.4 -63.3 -41.2 86.4 19.8 44.4 157 165 A E H X S+ 0 0 17 -4,-1.6 4,-2.5 -3,-0.4 -2,-0.2 0.997 112.6 54.6 -70.4 -52.2 83.5 17.5 44.0 158 166 A V H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 7,-0.3 0.884 112.4 45.3 -37.0 -60.2 81.9 19.4 41.1 159 167 A K H < S+ 0 0 133 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.952 110.1 52.2 -54.8 -58.1 85.1 19.2 39.2 160 168 A K H < S+ 0 0 132 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.833 111.6 48.4 -51.4 -33.7 85.8 15.5 40.0 161 169 A V H < S- 0 0 53 -4,-2.5 2,-0.4 1,-0.3 -1,-0.2 0.999 135.9 -5.9 -68.5 -58.6 82.3 14.7 38.7 162 170 A D >< - 0 0 47 -4,-2.4 3,-1.7 -5,-0.1 -1,-0.3 -0.976 55.4-152.6-143.5 122.1 82.5 16.6 35.5 163 171 A S T 3 S+ 0 0 80 -2,-0.4 -4,-0.1 1,-0.3 -3,-0.1 0.590 95.2 67.1 -63.8 -18.0 85.4 18.9 34.6 164 172 A E T 3 S+ 0 0 112 -6,-0.1 -1,-0.3 -5,-0.1 -5,-0.1 0.613 76.3 109.3 -81.0 -18.4 83.0 20.8 32.5 165 173 A Y < - 0 0 17 -3,-1.7 2,-0.5 -7,-0.3 24,-0.2 -0.281 51.7-158.5 -66.2 150.9 81.1 22.1 35.4 166 174 A I E +B 188 0B 59 22,-2.5 22,-2.1 2,-0.0 2,-0.4 -0.978 14.2 177.7-132.9 117.0 81.2 25.7 36.4 167 175 A A E -B 187 0B 20 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.925 9.4-174.0-124.4 144.9 80.3 26.8 39.9 168 176 A T E -B 186 0B 31 18,-1.7 18,-3.0 -2,-0.4 2,-0.9 -0.962 21.6-137.8-141.6 123.6 80.4 30.1 41.7 169 177 A V E -B 185 0B 6 -2,-0.4 16,-0.2 16,-0.2 14,-0.0 -0.691 33.9-165.8 -83.9 116.5 79.7 30.8 45.2 170 178 A C + 0 0 3 14,-3.1 14,-0.4 -2,-0.9 3,-0.3 -0.039 32.9 53.8 -87.8-168.0 77.6 33.8 45.3 171 179 A G S >> S- 0 0 19 1,-0.2 4,-1.8 2,-0.2 3,-1.5 -0.131 105.0 -35.2 81.7-173.7 76.6 36.3 47.9 172 180 A S T 34>S+ 0 0 28 1,-0.3 5,-1.0 2,-0.3 -1,-0.2 0.797 131.0 69.0 -52.5 -32.9 78.2 38.5 50.4 173 181 A F T >45S+ 0 0 12 -3,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.888 104.4 40.1 -48.0 -49.4 80.6 35.7 50.7 174 182 A R T <45S+ 0 0 48 -3,-1.5 -2,-0.3 1,-0.2 -1,-0.3 0.756 105.0 65.5 -69.1 -41.8 81.7 36.6 47.3 175 183 A R T 3<5S- 0 0 66 -4,-1.8 2,-0.5 147,-0.1 -1,-0.2 -0.027 125.4 -99.7 -77.7 28.8 81.5 40.3 48.0 176 184 A G T < 5 + 0 0 34 -3,-0.5 -3,-0.2 -2,-0.2 -1,-0.1 -0.110 66.2 169.6 80.2 -32.8 84.4 39.7 50.5 177 185 A A < - 0 0 30 -5,-1.0 -1,-0.2 -2,-0.5 3,-0.0 0.441 38.1-132.4 -12.3 139.0 82.0 39.6 53.6 178 186 A E S S+ 0 0 145 -34,-0.1 -34,-3.2 -35,-0.1 -33,-0.4 0.772 85.8 5.8 -71.1 -34.5 83.2 38.4 57.1 179 187 A S E S-A 143 0A 40 -36,-0.3 2,-0.3 -35,-0.1 -38,-0.0 -0.850 72.3-150.3-140.1 174.1 80.4 36.1 57.8 180 188 A S E -A 142 0A 2 -38,-1.1 -38,-1.7 -2,-0.3 3,-0.1 -0.985 21.6-133.9-160.5 150.3 77.4 34.8 55.9 181 189 A G S S- 0 0 41 -2,-0.3 65,-0.3 1,-0.2 2,-0.3 0.896 83.7 -24.1 -61.1 -58.2 73.9 33.6 56.2 182 190 A D S S- 0 0 70 63,-0.1 2,-0.4 -40,-0.1 -1,-0.2 -0.967 71.7 -92.3-158.9 152.6 74.0 30.4 54.0 183 191 A M E - c 0 247B 3 63,-1.6 65,-2.1 -2,-0.3 2,-0.6 -0.620 31.6-164.4 -82.4 129.1 75.9 29.2 51.1 184 192 A D E - c 0 248B 27 -14,-0.4 -14,-3.1 -2,-0.4 2,-0.7 -0.884 4.2-170.8-107.7 101.2 74.7 30.0 47.4 185 193 A V E -Bc 169 249B 2 63,-3.2 65,-2.0 -2,-0.6 2,-0.6 -0.841 8.8-155.3 -99.7 116.8 76.2 28.0 44.8 186 194 A L E -Bc 168 250B 2 -18,-3.0 -18,-1.7 -2,-0.7 2,-0.4 -0.739 22.4-160.0 -84.9 118.7 75.4 29.1 41.1 187 195 A L E +Bc 167 251B 1 63,-2.8 65,-2.6 -2,-0.6 2,-0.3 -0.802 16.5 164.0-111.5 149.2 75.8 26.1 38.8 188 196 A T E -Bc 166 252B 0 -22,-2.1 -22,-2.5 -2,-0.4 3,-0.1 -0.995 18.3-167.3-157.6 160.1 76.4 25.5 35.1 189 197 A H E > - c 0 253B 11 63,-1.0 3,-1.5 -2,-0.3 65,-0.9 -0.991 27.5-132.1-141.9 145.6 77.3 23.4 32.3 190 198 A P T 3 S+ 0 0 59 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.989 108.2 61.3 -59.2 -56.7 78.1 24.0 28.6 191 199 A S T 3 S+ 0 0 64 1,-0.1 2,-0.4 -3,-0.1 -3,-0.0 0.399 99.5 71.3 -52.7 8.3 75.9 21.2 27.5 192 200 A F < + 0 0 16 -3,-1.5 62,-3.4 -2,-0.2 -3,-0.3 -0.946 60.3 136.2-137.8 119.8 72.9 23.1 29.2 193 201 A T - 0 0 33 3,-0.5 5,-0.3 -2,-0.4 61,-0.0 -0.958 66.1 -62.1-154.1 168.1 71.4 26.3 27.9 194 202 A S S S+ 0 0 64 -2,-0.3 3,-0.0 1,-0.2 -2,-0.0 0.561 130.3 15.1 -18.8 -40.7 68.2 28.3 27.1 195 203 A E S S+ 0 0 148 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.867 90.2 102.0-104.1 -67.3 67.0 25.6 24.6 196 204 A S S S- 0 0 46 1,-0.2 2,-0.8 3,-0.0 -3,-0.5 0.024 89.1-117.3 -31.6 81.1 69.0 22.4 25.0 197 205 A T - 0 0 123 -5,-0.1 -1,-0.2 -2,-0.0 -3,-0.1 -0.060 48.3 -80.4 -35.9 78.0 66.1 20.9 26.8 198 206 A K - 0 0 104 -2,-0.8 -5,-0.1 -5,-0.3 27,-0.1 0.311 25.1-144.3 49.8 179.4 67.5 20.2 30.3 199 207 A Q > - 0 0 90 25,-0.2 3,-1.0 -7,-0.1 4,-0.4 -0.446 14.0-170.3 176.4 88.1 69.5 17.4 31.6 200 208 A P T >> S+ 0 0 49 0, 0.0 4,-1.9 0, 0.0 3,-1.0 0.789 84.5 62.3 -63.7 -31.7 68.2 16.9 35.1 201 209 A K H 3> S+ 0 0 130 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.731 86.3 78.3 -67.4 -19.7 71.0 14.5 36.0 202 210 A L H <> S+ 0 0 5 -3,-1.0 4,-0.5 2,-0.2 -1,-0.3 0.909 106.2 27.5 -52.3 -47.7 73.1 17.5 35.4 203 211 A L H X> S+ 0 0 0 -3,-1.0 4,-1.9 -4,-0.4 3,-0.8 0.910 119.0 59.0 -73.6 -52.2 72.1 18.8 38.9 204 212 A H H 3X S+ 0 0 40 -4,-1.9 4,-1.6 1,-0.3 -2,-0.2 0.633 94.2 63.6 -53.1 -27.5 71.5 15.5 40.4 205 213 A Q H 3X S+ 0 0 74 -4,-2.0 4,-1.0 2,-0.2 -1,-0.3 0.940 108.3 39.9 -70.7 -43.9 75.0 14.2 39.9 206 214 A V H <>S+ 0 0 2 -4,-3.6 5,-2.6 1,-0.2 6,-1.0 0.852 113.9 43.8 -44.5 -47.0 78.1 16.0 47.7 211 219 A Q H ><5S+ 0 0 70 -4,-2.1 3,-2.4 -5,-0.2 -1,-0.2 0.900 102.6 65.5 -66.1 -45.9 76.0 13.5 49.8 212 220 A K H 3<5S+ 0 0 149 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 110.7 37.8 -50.2 -29.8 78.3 10.6 49.0 213 221 A V T <<5S- 0 0 51 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.288 117.3-112.5-106.3 9.3 81.0 12.4 50.9 214 222 A H T < 5S+ 0 0 135 -3,-2.4 18,-0.2 -5,-0.2 -3,-0.2 0.831 82.2 120.4 68.6 35.0 78.8 13.7 53.6 215 223 A F S > -c 189 0B 16 0, 0.0 3,-2.9 0, 0.0 4,-0.5 -0.619 34.0-132.2 -66.8 110.6 71.7 27.6 31.4 254 262 A K T 34 S+ 0 0 51 -62,-3.4 4,-0.3 -65,-0.9 3,-0.2 0.651 103.8 66.8 -41.7 -19.1 75.3 28.2 30.5 255 263 A D T 34 S+ 0 0 72 -63,-0.3 -1,-0.3 1,-0.2 50,-0.2 0.335 108.6 33.6 -88.8 11.5 74.0 31.0 28.4 256 264 A Q T X> S+ 0 0 37 -3,-2.9 4,-1.8 48,-0.1 3,-1.1 0.383 81.7 112.7-145.0 5.7 72.8 33.0 31.3 257 265 A Y H >X S+ 0 0 2 -4,-0.5 4,-2.4 1,-0.3 3,-1.5 0.941 77.0 46.4 -43.6 -76.1 75.2 32.3 34.0 258 266 A Y H 3> S+ 0 0 40 1,-0.3 4,-0.6 -4,-0.3 -1,-0.3 0.598 109.7 53.5 -51.4 -16.1 76.9 35.6 34.4 259 267 A C H <> S+ 0 0 8 -3,-1.1 4,-1.6 29,-0.3 -1,-0.3 0.868 115.3 44.9 -79.9 -36.2 73.7 37.5 34.4 260 268 A G H XX S+ 0 0 10 -4,-1.8 4,-2.7 -3,-1.5 3,-0.6 0.986 117.1 41.3 -60.7 -70.0 72.9 35.1 37.2 261 269 A V H 3X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.3 -1,-0.2 0.752 112.2 57.5 -55.5 -26.7 76.1 35.4 39.0 262 270 A L H 3< S+ 0 0 6 -4,-0.6 -1,-0.3 -5,-0.5 -2,-0.2 0.957 113.7 39.5 -68.3 -42.0 76.2 39.0 38.4 263 271 A Y H X< S+ 0 0 67 -4,-1.6 3,-2.1 -3,-0.6 -2,-0.2 0.870 111.8 48.4 -68.3 -56.4 73.0 39.4 40.1 264 272 A F H 3< S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.2 0.844 101.4 69.8 -62.3 -30.9 73.0 37.0 43.0 265 273 A T T 3< S+ 0 0 1 -4,-1.0 -1,-0.3 -5,-0.4 -2,-0.2 0.626 89.4 141.1 -60.9 -12.4 76.4 38.5 43.8 266 274 A G < - 0 0 4 -3,-2.1 2,-0.2 1,-0.1 -1,-0.1 -0.048 59.9-156.3 47.9-149.9 74.4 41.7 44.7 267 275 A S > - 0 0 4 59,-0.2 4,-1.4 -3,-0.1 5,-0.1 0.613 39.2-123.7 -68.8-178.4 74.5 43.9 46.8 268 276 A D H > S+ 0 0 122 1,-0.2 4,-1.3 -2,-0.2 5,-0.1 0.883 111.7 42.4 -63.8 -32.2 70.9 44.9 46.6 269 277 A I H > S+ 0 0 72 57,-0.4 4,-3.1 2,-0.2 5,-0.3 0.871 107.7 57.2 -76.7 -42.4 72.0 48.4 45.9 270 278 A F H > S+ 0 0 0 56,-0.5 4,-2.2 55,-0.4 5,-0.2 0.794 107.2 54.9 -57.0 -31.3 74.8 47.6 43.4 271 279 A N H X S+ 0 0 10 -4,-1.4 4,-4.1 2,-0.2 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