==== 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 1ZQP . 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) . 18011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.7 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 . 1 0.3 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 . 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 . 13 4.0 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 . 126 38.5 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 1 1 2 2 1 0 1 2 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 . 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 0 216 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -22.6 66.9 58.0 56.8 2 10 A T + 0 0 127 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.283 360.0 69.0-159.8 -24.3 66.9 59.3 60.3 3 11 A L S S+ 0 0 60 1,-0.2 42,-0.2 36,-0.1 3,-0.1 0.910 117.8 26.1 -77.3 -33.5 64.6 62.4 60.4 4 12 A N S >> S+ 0 0 6 35,-0.2 4,-2.0 1,-0.1 3,-0.9 0.524 91.4 114.9-113.7 17.9 61.6 60.2 59.8 5 13 A G H 3> S+ 0 0 12 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.735 71.3 50.2 -31.1 -66.6 62.9 57.0 61.3 6 14 A G H 3> S+ 0 0 39 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.885 113.3 51.0 -53.9 -37.7 60.6 56.5 64.3 7 15 A I H <> S+ 0 0 8 -3,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.925 113.9 41.3 -67.4 -45.1 57.7 57.0 62.0 8 16 A T H X S+ 0 0 21 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.835 115.9 51.2 -71.9 -31.4 58.9 54.5 59.5 9 17 A D H X S+ 0 0 104 -4,-3.5 4,-2.2 -5,-0.3 -2,-0.2 0.938 111.9 45.1 -67.8 -41.3 59.9 52.1 62.2 10 18 A M H X S+ 0 0 6 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.909 113.4 52.1 -60.2 -50.9 56.6 52.3 64.0 11 19 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.811 109.0 47.9 -57.7 -45.8 54.8 52.0 60.6 12 20 A T H X S+ 0 0 54 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.922 110.9 51.8 -68.5 -40.2 56.7 48.8 59.6 13 21 A E H X S+ 0 0 95 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.967 112.2 48.5 -54.5 -52.8 56.1 47.3 63.0 14 22 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.917 114.4 43.7 -50.1 -56.1 52.4 48.1 62.3 15 23 A A H X S+ 0 0 3 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.942 110.3 53.7 -55.7 -57.3 52.4 46.6 58.8 16 24 A N H X S+ 0 0 84 -4,-2.8 4,-2.0 1,-0.2 5,-0.3 0.807 107.3 55.3 -50.4 -34.3 54.3 43.5 59.7 17 25 A F H X>S+ 0 0 37 -4,-1.8 5,-1.4 -5,-0.3 4,-0.7 0.990 106.0 46.8 -68.5 -54.6 51.8 42.9 62.4 18 26 A E H <5S+ 0 0 7 -4,-1.9 6,-1.1 1,-0.2 -2,-0.2 0.871 113.4 51.8 -53.6 -37.5 48.6 43.0 60.1 19 27 A K H <5S+ 0 0 81 -4,-2.3 -1,-0.2 4,-0.2 -2,-0.2 0.991 122.3 24.5 -65.1 -57.6 50.3 40.8 57.7 20 28 A N H <5S+ 0 0 17 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.996 130.9 30.9 -72.2 -77.1 51.3 38.0 60.2 21 29 A V T <5S+ 0 0 29 -4,-0.7 2,-0.2 -5,-0.3 -3,-0.2 0.865 131.3 32.3 -53.4 -40.3 49.1 38.0 63.2 22 30 A S S + 0 0 24 -6,-1.1 4,-3.2 1,-0.2 5,-0.3 -0.371 17.4 166.4 -72.2 64.2 45.1 42.1 56.6 25 33 A I H > S+ 0 0 97 -2,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.805 79.1 50.2 -46.3 -34.8 47.0 42.1 53.4 26 34 A H H > S+ 0 0 147 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.955 111.9 40.5 -71.6 -57.1 45.5 45.5 52.7 27 35 A K H > S+ 0 0 113 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.848 116.9 55.9 -60.0 -35.4 46.2 47.3 56.0 28 36 A Y H X S+ 0 0 32 -4,-3.2 4,-0.8 1,-0.2 -1,-0.3 0.961 108.3 42.3 -61.5 -51.1 49.4 45.7 55.7 29 37 A N H X S+ 0 0 80 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.775 112.3 59.5 -65.4 -29.9 50.1 47.0 52.3 30 38 A A H >X S+ 0 0 32 -4,-2.5 4,-2.2 1,-0.2 3,-0.5 0.990 101.2 49.5 -62.1 -61.1 48.8 50.3 53.5 31 39 A Y H 3X S+ 0 0 12 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.711 112.5 55.4 -48.8 -26.2 51.3 50.8 56.4 32 40 A R H 3X S+ 0 0 134 -4,-0.8 4,-2.1 -5,-0.2 -1,-0.2 0.850 103.2 44.6 -81.1 -43.9 53.9 50.0 53.8 33 41 A K H X S+ 0 0 34 -4,-3.2 3,-1.6 1,-0.2 4,-1.5 0.934 110.0 55.7 -66.0 -52.4 56.5 57.7 51.3 38 46 A I H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -3,-0.2 0.751 104.4 62.0 -53.5 -23.0 57.0 59.3 54.7 39 47 A A H 3< S+ 0 0 44 -4,-0.8 -1,-0.3 -5,-0.4 -2,-0.2 0.802 102.0 46.4 -71.6 -33.3 60.6 57.9 54.3 40 48 A K H << S+ 0 0 173 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.802 86.3 110.5 -76.1 -37.1 61.4 60.0 51.1 41 49 A Y < - 0 0 52 -4,-1.5 4,-0.1 1,-0.2 -37,-0.1 -0.285 64.7-143.9 -56.0 121.9 60.0 63.2 52.6 42 50 A P + 0 0 86 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.047 68.7 63.4 -71.2 7.0 62.8 65.5 53.2 43 51 A H S S- 0 0 107 -39,-0.0 2,-0.5 -40,-0.0 -2,-0.0 -0.975 89.7 -90.5-142.5 162.5 61.6 67.1 56.3 44 52 A K - 0 0 107 -2,-0.4 2,-0.2 1,-0.1 -40,-0.1 -0.497 42.0-129.1 -67.6 114.7 60.7 66.3 59.9 45 53 A I - 0 0 5 -2,-0.5 3,-0.1 -42,-0.2 -1,-0.1 -0.434 29.0-179.4 -64.7 128.1 57.1 65.4 60.1 46 54 A K + 0 0 145 1,-0.4 2,-0.3 -2,-0.2 -1,-0.2 0.542 60.9 7.8-109.0 -4.1 55.8 67.5 62.9 47 55 A S S > S- 0 0 35 1,-0.2 4,-2.2 22,-0.0 -1,-0.4 -0.966 70.7-110.6-169.1 158.4 52.2 66.4 62.9 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-4.2 1,-0.2 3,-0.6 0.965 117.7 58.6 -56.1 -55.0 49.9 63.9 61.4 49 57 A A H 3> S+ 0 0 67 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.835 106.1 48.1 -39.4 -49.6 48.3 66.7 59.4 50 58 A E H >4 S+ 0 0 40 2,-0.2 3,-0.7 1,-0.2 -1,-0.3 0.900 116.2 44.1 -60.5 -45.2 51.6 67.5 57.9 51 59 A A H X< S+ 0 0 0 -4,-2.2 3,-2.5 -3,-0.6 -2,-0.2 0.928 102.6 67.7 -60.3 -52.6 52.1 63.8 57.1 52 60 A K H 3< S+ 0 0 92 -4,-4.2 -1,-0.2 1,-0.3 -2,-0.2 0.620 82.9 71.9 -41.7 -30.5 48.6 63.5 56.0 53 61 A K T << S+ 0 0 171 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.1 0.503 86.2 96.0 -69.3 -4.8 49.3 65.7 52.9 54 62 A L S < S- 0 0 42 -3,-2.5 2,-0.5 1,-0.1 3,-0.1 -0.262 90.0 -96.1 -81.3 175.7 51.1 62.8 51.6 55 63 A P S S+ 0 0 90 0, 0.0 -18,-0.2 0, 0.0 -17,-0.1 -0.782 110.4 15.3 -92.4 126.7 50.0 60.1 49.3 56 64 A G S S+ 0 0 33 -2,-0.5 2,-1.4 1,-0.2 -22,-0.2 0.215 96.2 121.7 92.9 -15.6 48.8 57.0 51.2 57 65 A V + 0 0 9 -6,-0.2 -1,-0.2 -3,-0.1 2,-0.1 -0.568 39.1 166.7 -85.9 103.2 48.7 59.0 54.3 58 66 A G > - 0 0 25 -2,-1.4 4,-2.6 -3,-0.1 5,-0.3 -0.298 53.2 -86.2-103.0-168.4 45.2 58.8 55.6 59 67 A T H > S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.864 122.0 57.4 -64.9 -36.9 43.4 59.6 58.7 60 68 A K H > S+ 0 0 137 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.970 115.2 34.1 -58.5 -55.5 44.2 56.2 60.1 61 69 A I H >> S+ 0 0 13 2,-0.2 4,-2.2 -5,-0.2 3,-1.2 0.937 113.9 57.0 -61.6 -55.4 47.9 56.6 59.9 62 70 A A H 3X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.890 104.0 55.7 -46.1 -46.0 48.1 60.3 60.6 63 71 A E H 3X S+ 0 0 134 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.3 0.874 106.6 50.3 -56.7 -38.2 46.4 59.7 63.8 64 72 A K H X S+ 0 0 71 -4,-2.2 4,-4.7 1,-0.2 3,-0.5 0.995 110.6 49.1 -62.2 -53.9 50.3 62.3 66.3 67 75 A E H 3X S+ 0 0 77 -4,-1.9 4,-1.9 1,-0.3 6,-0.6 0.795 114.4 46.7 -50.4 -34.0 50.2 59.8 69.1 68 76 A F H 3< S+ 0 0 52 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.803 117.1 42.4 -79.2 -32.7 53.7 58.7 68.4 69 77 A L H << S+ 0 0 59 -4,-2.2 -2,-0.2 -3,-0.5 -3,-0.2 0.933 115.3 49.7 -78.4 -44.1 54.9 62.2 68.2 70 78 A A H < S+ 0 0 86 -4,-4.7 2,-0.4 -5,-0.2 -2,-0.2 0.960 127.4 16.4 -55.3 -60.2 52.9 63.4 71.1 71 79 A T S < S- 0 0 64 -4,-1.9 2,-1.2 2,-0.3 -1,-0.1 -0.902 89.0-112.3-114.3 143.7 54.1 60.6 73.5 72 80 A G S S+ 0 0 77 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.1 0.147 93.8 42.3 -65.9 27.4 57.1 58.5 72.6 73 81 A K - 0 0 102 -2,-1.2 -2,-0.3 -6,-0.6 2,-0.3 -0.727 68.6-130.4-147.8-161.4 55.0 55.5 72.1 74 82 A L > - 0 0 3 -2,-0.2 4,-2.8 1,-0.1 5,-0.1 -0.897 13.3-144.6-160.8 126.8 51.9 54.0 70.8 75 83 A R H > S+ 0 0 160 -2,-0.3 4,-4.2 2,-0.2 5,-0.2 0.990 99.8 54.1 -62.8 -57.1 49.4 51.8 72.7 76 84 A K H > S+ 0 0 70 1,-0.3 4,-2.0 2,-0.3 5,-0.2 0.814 113.2 45.3 -43.8 -36.2 48.4 49.5 69.8 77 85 A L H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.964 115.6 46.7 -74.8 -48.9 52.0 48.9 69.3 78 86 A E H X S+ 0 0 75 -4,-2.8 4,-1.3 1,-0.2 -2,-0.3 0.889 113.0 48.9 -57.6 -39.8 52.4 48.4 73.1 79 87 A K H >X S+ 0 0 126 -4,-4.2 4,-3.0 2,-0.2 3,-0.6 0.975 113.9 45.1 -62.6 -55.2 49.4 46.1 73.3 80 88 A I H 3< S+ 0 0 18 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.890 109.1 57.4 -53.3 -46.1 50.6 43.9 70.2 81 89 A R H 3< S+ 0 0 189 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.879 113.4 39.2 -56.4 -37.5 54.2 43.8 71.7 82 90 A Q H << S+ 0 0 138 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.955 90.2 116.3 -76.6 -51.2 52.7 42.3 74.9 83 91 A D X - 0 0 65 -4,-3.0 4,-3.3 1,-0.1 5,-0.3 0.151 52.3-157.2 -28.8 99.0 50.1 40.0 73.0 84 92 A D H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.835 88.8 48.6 -51.5 -41.9 50.9 36.5 73.6 85 93 A T H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.973 115.1 44.4 -65.2 -49.1 49.2 35.1 70.6 86 94 A S H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.882 111.1 54.1 -60.6 -37.7 50.8 37.5 68.4 87 95 A S H X S+ 0 0 50 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.941 107.7 55.0 -60.1 -42.7 54.1 36.9 70.1 88 96 A S H X S+ 0 0 11 -4,-2.6 4,-2.1 -5,-0.3 5,-0.2 0.890 104.8 48.8 -57.4 -45.0 53.5 33.4 69.4 89 97 A I H X S+ 0 0 4 -4,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.911 107.0 57.2 -64.6 -37.9 53.1 33.8 65.8 90 98 A N H < S+ 0 0 66 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.819 111.9 41.7 -58.8 -36.5 56.2 35.8 65.5 91 99 A F H >< S+ 0 0 62 -4,-1.6 3,-2.0 -3,-0.2 4,-0.4 0.905 107.8 55.4 -75.5 -54.0 58.3 33.1 67.0 92 100 A L H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.3 6,-0.2 0.877 99.6 66.2 -49.6 -40.7 56.9 30.0 65.3 93 101 A T T 3< S+ 0 0 41 -4,-1.6 5,-0.3 1,-0.3 -1,-0.3 0.773 86.3 69.4 -52.6 -34.3 57.6 31.8 62.1 94 102 A R T < S+ 0 0 117 -3,-2.0 2,-0.4 -4,-0.3 -1,-0.3 0.647 79.1 93.9 -62.2 -17.9 61.4 31.6 62.9 95 103 A V S X S- 0 0 2 -3,-2.1 3,-1.9 -4,-0.4 2,-0.6 -0.649 92.1-113.3 -76.9 129.6 61.2 27.9 62.3 96 104 A S T 3 S+ 0 0 37 -2,-0.4 35,-0.4 1,-0.3 36,-0.2 -0.514 103.0 28.1 -68.7 113.1 62.1 27.3 58.8 97 105 A G T 3 S+ 0 0 31 1,-0.7 2,-0.4 -2,-0.6 -1,-0.3 0.305 96.7 106.0 121.3 -11.4 59.1 26.1 56.9 98 106 A I < + 0 0 12 -3,-1.9 -1,-0.7 -5,-0.3 3,-0.0 -0.851 42.9 170.2-102.5 132.9 56.7 27.8 59.1 99 107 A G > - 0 0 30 -2,-0.4 4,-2.2 -3,-0.1 5,-0.1 -0.599 52.9 -79.0-128.4-173.3 55.1 30.9 57.6 100 108 A P H > S+ 0 0 39 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.933 124.9 54.9 -60.1 -50.4 52.3 32.9 58.9 101 109 A S H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.896 114.0 40.3 -54.6 -43.1 49.5 30.6 57.9 102 110 A A H > S+ 0 0 17 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.918 111.3 58.3 -74.0 -37.2 51.0 27.6 59.6 103 111 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.942 108.4 45.8 -54.2 -49.1 52.0 29.7 62.6 104 112 A R H X S+ 0 0 55 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.944 113.2 49.5 -61.1 -46.7 48.4 30.8 63.1 105 113 A K H X S+ 0 0 98 -4,-1.8 4,-2.5 -5,-0.3 5,-0.3 0.967 109.8 50.8 -57.6 -52.3 47.1 27.3 62.7 106 114 A F H X>S+ 0 0 0 -4,-3.7 5,-3.4 1,-0.3 4,-0.7 0.860 112.5 46.8 -53.8 -35.6 49.7 25.9 65.2 107 115 A V H <5S+ 0 0 3 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.897 105.6 59.7 -72.1 -40.2 48.7 28.4 67.7 108 116 A D H <5S+ 0 0 131 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.923 108.1 44.2 -51.8 -46.8 45.2 27.7 67.0 109 117 A E H <5S- 0 0 109 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.687 127.1-106.2 -72.1 -18.8 45.8 24.2 68.1 110 118 A G T <5S+ 0 0 33 -4,-0.7 2,-1.4 -5,-0.3 -3,-0.3 0.647 73.7 137.9 104.9 10.8 47.8 25.6 71.0 111 119 A I < + 0 0 8 -5,-3.4 -1,-0.2 1,-0.2 -2,-0.1 -0.710 14.4 150.5 -90.6 88.3 51.4 24.9 69.9 112 120 A K + 0 0 73 -2,-1.4 2,-0.3 -5,-0.1 -1,-0.2 0.690 50.2 51.9 -98.5 -14.1 53.0 28.1 70.9 113 121 A T S > S- 0 0 60 -3,-0.2 4,-3.2 1,-0.1 5,-0.2 -0.710 81.3-107.1-127.2 176.2 56.5 26.9 71.7 114 122 A L H > S+ 0 0 26 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.932 122.4 46.1 -55.8 -48.8 59.5 25.1 70.7 115 123 A E H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.892 108.9 57.4 -62.6 -39.5 58.8 22.4 73.0 116 124 A D H > S+ 0 0 44 1,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.942 105.7 49.8 -55.4 -49.7 55.2 22.3 71.8 117 125 A L H < S+ 0 0 0 -4,-3.2 3,-0.5 1,-0.2 -1,-0.3 0.899 108.1 55.7 -57.3 -42.2 56.4 21.8 68.4 118 126 A R H >< S+ 0 0 117 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.964 103.8 49.9 -54.0 -63.1 58.5 19.0 69.7 119 127 A K H 3< S+ 0 0 157 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.734 116.7 46.2 -46.6 -27.4 55.8 17.0 71.3 120 128 A N T >X + 0 0 42 -4,-1.2 3,-2.5 -3,-0.5 4,-0.5 -0.061 60.8 139.7-113.3 39.8 53.9 17.3 68.1 121 129 A E G X4 + 0 0 100 -3,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.729 68.4 72.8 -48.5 -23.9 56.4 16.5 65.5 122 130 A D G 34 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.689 90.2 55.1 -60.6 -30.8 53.6 14.6 63.8 123 131 A K G <4 S+ 0 0 88 -3,-2.5 -1,-0.3 -6,-0.2 2,-0.2 0.533 97.2 85.6 -82.4 -14.7 51.8 17.8 62.8 124 132 A L S << S- 0 0 7 -3,-1.0 2,-0.1 -4,-0.5 3,-0.0 -0.628 71.9-133.2 -95.2 154.1 54.9 19.0 61.0 125 133 A N > - 0 0 78 -2,-0.2 4,-2.6 -28,-0.1 5,-0.2 -0.424 38.8 -91.5 -92.3 172.3 56.1 18.2 57.5 126 134 A H H > S+ 0 0 113 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.915 127.2 46.4 -49.2 -55.2 59.6 17.2 56.5 127 135 A H H > S+ 0 0 43 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.968 115.4 46.8 -49.5 -62.3 60.8 20.8 55.9 128 136 A Q H > S+ 0 0 15 1,-0.3 4,-1.6 -31,-0.2 -1,-0.3 0.795 111.1 53.2 -49.6 -38.1 59.3 21.8 59.1 129 137 A R H X S+ 0 0 94 -4,-2.6 4,-3.1 2,-0.2 -1,-0.3 0.903 109.8 46.8 -67.4 -43.8 60.8 18.9 60.9 130 138 A I H X S+ 0 0 5 -4,-2.9 4,-2.8 -3,-0.3 -2,-0.2 0.960 109.6 52.1 -62.9 -48.6 64.2 19.7 59.7 131 139 A G H < S+ 0 0 0 -4,-2.9 4,-0.4 -35,-0.4 -1,-0.2 0.887 112.9 48.0 -54.5 -37.9 63.9 23.3 60.6 132 140 A L H >< S+ 0 0 10 -4,-1.6 3,-1.2 -5,-0.3 4,-0.3 0.947 109.1 51.8 -67.2 -46.8 62.9 22.2 64.0 133 141 A K H 3< S+ 0 0 131 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.859 122.1 32.4 -58.9 -35.0 65.6 19.8 64.3 134 142 A Y T 3X S+ 0 0 18 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.198 74.6 129.8-113.7 24.2 68.0 22.5 63.4 135 143 A F H <> S+ 0 0 25 -3,-1.2 4,-1.3 -4,-0.4 -1,-0.2 0.834 78.0 44.0 -40.2 -52.1 66.4 25.6 64.9 136 144 A G H >> S+ 0 0 41 -4,-0.3 3,-1.3 1,-0.2 4,-1.1 0.998 116.5 42.3 -62.5 -66.6 69.6 26.7 66.7 137 145 A D H 34 S+ 0 0 35 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.758 109.7 60.7 -53.6 -23.6 72.2 26.2 63.9 138 146 A F H 3< S+ 0 0 42 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.910 105.0 46.6 -74.2 -32.2 69.8 27.6 61.4 139 147 A E H << S+ 0 0 97 -4,-1.3 -2,-0.2 -3,-1.3 -1,-0.2 0.732 95.8 98.4 -76.6 -19.3 69.8 30.8 63.2 140 148 A K S < S- 0 0 108 -4,-1.1 2,-0.1 1,-0.1 -3,-0.0 -0.295 75.7-113.3 -68.9 146.2 73.7 30.9 63.6 141 149 A R - 0 0 134 1,-0.1 40,-0.2 -2,-0.1 -1,-0.1 -0.362 21.2-121.6 -80.2 162.0 75.9 32.9 61.3 142 150 A I E -A 180 0A 0 38,-4.4 38,-2.6 -2,-0.1 2,-0.2 -0.875 22.4-141.4-105.7 108.8 78.4 31.4 58.8 143 151 A P E >> -A 179 0A 41 0, 0.0 3,-3.0 0, 0.0 4,-1.4 -0.548 15.0-128.8 -72.3 135.9 81.9 32.6 59.4 144 152 A R H 3> S+ 0 0 67 34,-2.0 4,-3.0 1,-0.3 5,-0.3 0.812 107.9 67.9 -43.6 -46.1 83.7 33.2 56.2 145 153 A E H 34 S+ 0 0 116 33,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.728 109.9 37.2 -48.8 -29.6 86.5 31.0 57.4 146 154 A E H <> S+ 0 0 28 -3,-3.0 4,-2.8 2,-0.2 -1,-0.3 0.691 107.8 62.9 -90.7 -35.8 84.0 28.2 57.1 147 155 A M H X S+ 0 0 2 -4,-1.4 4,-3.0 1,-0.3 -2,-0.2 0.884 104.9 50.8 -55.2 -38.8 82.5 29.6 53.9 148 156 A L H X S+ 0 0 75 -4,-3.0 4,-1.2 2,-0.2 -1,-0.3 0.749 109.5 47.9 -67.9 -36.2 85.9 29.0 52.5 149 157 A Q H > S+ 0 0 62 -5,-0.3 4,-1.9 -4,-0.2 -2,-0.2 0.802 114.3 48.3 -77.5 -29.5 86.0 25.4 53.7 150 158 A M H X S+ 0 0 3 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.933 111.2 47.8 -74.2 -46.9 82.5 24.9 52.3 151 159 A Q H X S+ 0 0 55 -4,-3.0 4,-2.7 -5,-0.2 5,-0.3 0.867 108.7 58.4 -61.4 -35.4 83.3 26.4 49.0 152 160 A D H X S+ 0 0 88 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.982 109.2 40.4 -59.2 -55.3 86.4 24.3 48.9 153 161 A I H X S+ 0 0 37 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.930 114.1 55.7 -59.4 -43.6 84.6 21.0 49.2 154 162 A V H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 5,-0.2 0.936 105.9 46.8 -56.8 -50.6 81.9 22.1 46.9 155 163 A L H X S+ 0 0 54 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.838 109.6 60.1 -63.0 -30.4 84.0 23.0 44.0 156 164 A N H X S+ 0 0 77 -4,-1.6 4,-2.9 -5,-0.3 -2,-0.2 0.957 107.7 37.4 -64.6 -56.9 85.9 19.8 44.5 157 165 A E H X S+ 0 0 21 -4,-2.1 4,-3.5 1,-0.2 5,-0.2 0.909 113.3 59.6 -64.3 -34.5 83.2 17.2 44.0 158 166 A V H X S+ 0 0 8 -4,-1.8 4,-1.7 -5,-0.3 7,-0.3 0.919 110.4 42.6 -54.4 -44.3 81.6 19.4 41.4 159 167 A K H < S+ 0 0 139 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.943 111.2 54.9 -69.0 -45.0 84.8 19.0 39.5 160 168 A K H < S+ 0 0 131 -4,-2.9 -2,-0.2 1,-0.2 3,-0.2 0.923 107.9 49.4 -54.3 -49.1 85.1 15.4 40.3 161 169 A V H < S- 0 0 52 -4,-3.5 2,-0.4 1,-0.3 -2,-0.2 0.982 135.7 -11.7 -55.2 -64.9 81.7 14.5 38.9 162 170 A D >< - 0 0 51 -4,-1.7 3,-1.0 -5,-0.2 -1,-0.3 -0.989 54.1-149.9-143.5 132.8 82.2 16.4 35.6 163 171 A S T 3 S+ 0 0 78 -2,-0.4 -4,-0.1 1,-0.2 -3,-0.1 0.480 93.3 71.9 -74.4 -13.0 84.9 18.8 34.8 164 172 A E T 3 S+ 0 0 117 -5,-0.1 -1,-0.2 2,-0.1 27,-0.1 0.451 76.5 104.9 -83.0 -6.4 82.6 20.7 32.5 165 173 A Y < - 0 0 17 -3,-1.0 2,-0.4 -7,-0.3 24,-0.2 -0.360 54.0-157.4 -74.6 156.0 80.6 22.2 35.4 166 174 A I E +B 188 0B 53 22,-1.6 22,-1.5 -2,-0.1 2,-0.4 -0.991 14.9 178.4-137.7 122.8 81.0 25.7 36.5 167 175 A A E -B 187 0B 22 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.953 8.9-175.2-130.4 150.9 80.0 26.8 40.0 168 176 A T E -B 186 0B 30 18,-1.6 18,-2.5 -2,-0.4 2,-0.9 -0.998 22.9-137.4-144.0 138.5 80.1 29.9 41.8 169 177 A V E -B 185 0B 4 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.902 36.2-176.1 -99.5 115.1 79.3 30.7 45.3 170 178 A C + 0 0 2 14,-2.5 3,-0.5 -2,-0.9 14,-0.4 0.122 31.2 68.1 -88.8-158.9 77.4 33.9 45.2 171 179 A G S >> S- 0 0 18 93,-1.0 3,-1.3 1,-0.2 4,-0.8 -0.143 107.6 -35.4 77.1-170.2 75.9 36.2 47.8 172 180 A S T 34 S+ 0 0 32 1,-0.3 5,-0.2 2,-0.2 -1,-0.2 0.632 133.1 68.8 -58.6 -16.3 77.7 38.5 50.3 173 181 A F T >4 S+ 0 0 9 -3,-0.5 3,-1.4 1,-0.2 -1,-0.3 0.927 99.4 46.9 -63.3 -44.5 80.3 35.8 50.4 174 182 A R T <4 S+ 0 0 52 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.706 111.3 54.1 -62.6 -31.3 81.2 36.6 46.9 175 183 A R T 3< S- 0 0 60 -4,-0.8 2,-0.3 90,-0.1 -1,-0.3 0.155 124.4 -95.2 -91.7 6.1 81.2 40.3 48.0 176 184 A G < + 0 0 32 -3,-1.4 -3,-0.1 1,-0.2 147,-0.1 -0.554 60.6 168.9 115.4 -62.8 83.7 40.0 50.9 177 185 A A - 0 0 31 -2,-0.3 -1,-0.2 -5,-0.2 -33,-0.1 0.686 40.3-132.6 12.2 121.5 81.3 39.6 53.9 178 186 A E S S- 0 0 151 1,-0.2 -34,-2.0 -35,-0.1 -33,-0.3 0.756 89.0 -3.5 -58.5 -26.3 82.9 38.6 57.3 179 187 A S E -A 143 0A 40 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.973 68.0-150.1-162.5 159.7 80.1 36.1 57.5 180 188 A S E -A 142 0A 2 -38,-2.6 -38,-4.4 -2,-0.3 3,-0.1 -0.821 21.5-127.2-135.2 171.0 77.0 34.9 55.8 181 189 A G S S- 0 0 35 -2,-0.3 65,-0.4 1,-0.3 2,-0.3 0.686 84.5 -19.0 -89.8 -31.0 73.7 33.4 56.5 182 190 A D S S- 0 0 72 -40,-0.1 2,-0.5 63,-0.1 -1,-0.3 -0.990 72.7 -90.1-168.0 169.3 73.8 30.5 54.1 183 191 A M E - c 0 247B 2 63,-2.2 65,-1.9 -2,-0.3 2,-0.6 -0.818 29.4-164.6-101.7 133.1 75.6 29.2 51.1 184 192 A D E - c 0 248B 27 -2,-0.5 -14,-2.5 -14,-0.4 2,-0.7 -0.827 5.4-172.7-113.9 97.9 74.3 30.0 47.6 185 193 A V E -Bc 169 249B 3 63,-2.2 65,-1.9 -2,-0.6 2,-0.4 -0.749 7.1-159.9 -93.9 111.9 75.8 27.9 44.8 186 194 A L E -Bc 168 250B 2 -18,-2.5 -18,-1.6 -2,-0.7 2,-0.4 -0.710 19.5-166.6 -86.4 132.2 74.9 29.0 41.1 187 195 A L E +Bc 167 251B 1 63,-2.7 65,-0.9 -2,-0.4 2,-0.3 -0.932 16.1 158.4-128.0 151.1 75.4 26.1 38.7 188 196 A T E -Bc 166 252B 0 -22,-1.5 -22,-1.6 -2,-0.4 5,-0.1 -0.950 17.9-158.8-156.4 170.4 75.6 25.6 35.0 189 197 A H E > -Dc 192 253B 12 63,-0.7 3,-2.2 3,-0.5 65,-1.0 -0.964 28.2-127.1-157.2 139.8 76.8 23.4 32.3 190 198 A P T 3 S+ 0 0 61 0, 0.0 65,-0.1 0, 0.0 -25,-0.1 0.811 109.6 66.4 -55.3 -35.0 77.5 24.0 28.6 191 199 A S T 3 S+ 0 0 54 1,-0.1 2,-0.4 -27,-0.1 11,-0.1 0.444 100.1 58.8 -69.9 0.1 75.3 21.2 27.8 192 200 A F B < +D 189 0B 16 -3,-2.2 62,-2.9 60,-0.2 -3,-0.5 -0.957 62.4 138.5-141.3 118.9 72.3 23.2 29.2 193 201 A T - 0 0 31 -2,-0.4 5,-0.3 60,-0.3 61,-0.1 -0.851 68.1 -57.3-146.1 175.3 71.1 26.5 27.9 194 202 A S S S+ 0 0 65 -2,-0.3 4,-0.0 1,-0.2 -2,-0.0 0.641 131.9 18.3 -23.7 -52.0 67.9 28.3 27.1 195 203 A E S S+ 0 0 147 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.933 87.7 106.3 -92.1 -60.4 66.7 25.7 24.6 196 204 A S S S- 0 0 42 1,-0.2 2,-2.8 3,-0.0 -3,-0.2 0.033 85.7-114.8 -30.7 87.0 68.6 22.4 25.2 197 205 A T - 0 0 133 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 0.035 52.5 -90.6 -29.5 52.0 65.7 20.6 26.8 198 206 A K - 0 0 99 -2,-2.8 -5,-0.0 -5,-0.3 -3,-0.0 0.133 21.1-139.2 64.3 178.9 67.1 20.1 30.2 199 207 A Q >> - 0 0 72 25,-0.2 3,-2.2 -7,-0.0 4,-0.6 -0.311 15.6-174.6 177.9 72.1 69.2 17.4 31.8 200 208 A P H >> S+ 0 0 47 0, 0.0 4,-1.8 0, 0.0 3,-0.7 0.771 85.2 67.2 -48.0 -31.7 67.7 17.1 35.3 201 209 A K H 3> S+ 0 0 135 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.916 83.7 72.7 -58.6 -42.3 70.4 14.7 35.9 202 210 A L H <> S+ 0 0 1 -3,-2.2 4,-0.7 1,-0.3 -1,-0.2 0.809 106.8 35.4 -39.2 -47.6 72.8 17.7 35.6 203 211 A L H S+ 0 0 1 -4,-2.8 5,-3.7 1,-0.3 6,-1.6 0.763 114.5 49.2 -50.3 -31.4 77.9 16.0 47.8 211 219 A Q H ><5S+ 0 0 84 -4,-1.8 3,-1.7 4,-0.2 -1,-0.3 0.857 101.5 62.3 -72.9 -44.3 75.7 13.5 49.6 212 220 A K H 3<5S+ 0 0 160 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.721 110.7 38.7 -54.6 -31.7 78.0 10.6 48.9 213 221 A V T 3<5S- 0 0 49 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.242 118.6-108.8-105.3 5.8 80.7 12.2 50.8 214 222 A H T < 5S+ 0 0 138 -3,-1.7 -3,-0.2 -5,-0.2 18,-0.2 0.826 84.8 121.2 71.2 32.7 78.5 13.6 53.5 215 223 A F S -c 189 0B 19 0, 0.0 3,-3.4 0, 0.0 -60,-0.3 -0.481 34.2-129.6 -59.1 116.0 71.3 27.4 31.4 254 262 A K G > S+ 0 0 48 -62,-2.9 3,-0.9 -65,-1.0 4,-0.3 0.760 107.1 68.9 -39.4 -31.9 75.0 28.4 30.6 255 263 A D G 3 S+ 0 0 70 -63,-0.3 -1,-0.3 1,-0.2 50,-0.2 0.544 106.7 36.5 -73.5 3.9 73.6 30.9 28.4 256 264 A Q G <> S+ 0 0 40 -3,-3.4 4,-1.7 2,-0.1 3,-0.2 0.375 85.2 107.8-132.8 6.8 72.3 32.9 31.4 257 265 A Y H X> S+ 0 0 2 -3,-0.9 4,-3.1 -4,-0.3 3,-1.5 0.960 75.1 47.1 -46.1 -85.1 75.1 32.3 34.0 258 266 A Y H 3> S+ 0 0 42 -4,-0.3 4,-1.9 1,-0.3 -1,-0.2 0.644 113.7 48.0 -34.7 -37.5 76.9 35.6 34.3 259 267 A C H 3> S+ 0 0 6 29,-0.3 4,-2.4 -3,-0.2 -1,-0.3 0.862 115.2 46.0 -75.0 -38.7 73.7 37.7 34.6 260 268 A G H X S+ 0 0 5 -4,-1.9 3,-0.8 -5,-0.4 4,-0.6 0.988 113.4 41.2 -56.7 -60.4 75.9 39.1 38.5 263 271 A Y H >< S+ 0 0 60 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.774 110.4 52.3 -51.5 -53.7 72.7 39.7 40.1 264 272 A F H 3< S+ 0 0 71 -4,-2.5 -93,-1.0 1,-0.3 -1,-0.2 0.580 104.5 61.0 -70.1 -13.6 72.8 37.2 42.9 265 273 A T H << S+ 0 0 1 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.721 92.6 133.4 -83.3 -25.3 76.1 38.7 43.9 266 274 A G << - 0 0 6 -3,-0.8 2,-0.2 -4,-0.6 -1,-0.2 -0.251 64.6-143.9 61.0-146.8 74.3 42.0 44.4 267 275 A S > - 0 0 12 59,-0.3 4,-2.4 -3,-0.1 5,-0.2 0.665 34.7-122.6 -77.3 174.9 74.3 44.0 46.4 268 276 A D H > S+ 0 0 131 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.870 114.9 37.4 -43.0 -48.4 70.7 45.0 46.3 269 277 A I H > S+ 0 0 68 57,-0.3 4,-3.7 2,-0.2 5,-0.3 0.933 111.0 56.5 -73.2 -48.0 71.8 48.5 45.6 270 278 A F H > S+ 0 0 0 56,-0.5 4,-2.1 55,-0.4 -2,-0.2 0.806 113.6 46.6 -51.2 -30.0 74.9 47.8 43.3 271 279 A N H X S+ 0 0 7 -4,-2.4 4,-3.8 2,-0.2 5,-0.2 0.978 110.9 45.8 -71.7 -66.0 72.4 46.0 41.3 272 280 A K H X S+ 0 0 150 -4,-2.1 4,-3.4 1,-0.2 -2,-0.2 0.910 117.6 48.1 -47.9 -49.8 69.7 48.5 41.2 273 281 A N H X S+ 0 0 94 -4,-3.7 4,-2.0 2,-0.2 -1,-0.2 0.942 112.9 44.3 -62.4 -49.5 72.3 51.1 40.4 274 282 A M H X S+ 0 0 2 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.920 116.5 50.5 -60.2 -38.1 74.1 49.2 37.7 275 283 A R H >X S+ 0 0 63 -4,-3.8 4,-0.8 2,-0.2 3,-0.6 0.929 104.9 53.4 -63.1 -47.8 70.7 48.4 36.4 276 284 A A H >X S+ 0 0 52 -4,-3.4 3,-0.7 1,-0.2 4,-0.5 0.893 110.2 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