==== 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 7ICH . 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) . 17900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 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 . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.4 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 . 4 1.2 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 3 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 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 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 0 221 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -14.2 67.2 58.1 57.0 2 10 A T + 0 0 123 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.097 360.0 81.3-171.1 -2.1 67.1 59.2 60.7 3 11 A L S S+ 0 0 58 36,-0.1 42,-0.3 1,-0.1 36,-0.0 0.726 113.2 15.6 -90.2 -17.0 64.9 62.1 60.4 4 12 A N S > S+ 0 0 9 40,-0.1 4,-2.8 35,-0.1 5,-0.2 0.100 87.6 126.0-141.8 23.3 61.7 60.1 60.4 5 13 A G H > S+ 0 0 21 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.796 70.9 53.1 -51.2 -45.1 63.1 56.8 61.7 6 14 A G H > S+ 0 0 37 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.997 113.2 44.5 -55.0 -65.3 60.6 56.3 64.6 7 15 A I H > S+ 0 0 8 1,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.841 115.2 48.1 -48.2 -43.9 57.7 56.8 62.3 8 16 A T H X S+ 0 0 21 -4,-2.8 4,-2.2 1,-0.2 -1,-0.3 0.934 113.9 46.3 -70.3 -37.2 59.2 54.6 59.8 9 17 A D H X S+ 0 0 100 -4,-3.5 4,-2.5 2,-0.2 -2,-0.2 0.955 112.8 47.0 -64.8 -47.4 60.0 52.0 62.3 10 18 A M H X S+ 0 0 6 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.940 111.8 52.2 -57.4 -49.7 56.6 52.0 64.1 11 19 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.3 -1,-0.2 0.871 109.5 49.8 -54.3 -43.0 54.8 51.9 60.7 12 20 A T H X S+ 0 0 64 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.897 109.7 52.5 -65.0 -35.8 56.9 48.9 59.7 13 21 A E H X S+ 0 0 73 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.952 113.7 42.3 -58.3 -51.7 56.0 47.2 63.1 14 22 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.922 112.8 53.5 -59.4 -51.9 52.4 47.8 62.4 15 23 A A H X S+ 0 0 4 -4,-3.1 4,-1.7 1,-0.2 3,-0.3 0.930 109.3 48.5 -53.6 -51.0 52.7 46.7 58.8 16 24 A N H X S+ 0 0 84 -4,-3.0 4,-3.1 1,-0.2 -1,-0.2 0.895 108.1 55.3 -57.0 -44.5 54.3 43.5 59.8 17 25 A F H X>S+ 0 0 38 -4,-2.2 4,-2.5 -5,-0.2 5,-1.4 0.905 104.3 51.5 -57.0 -43.8 51.8 42.8 62.3 18 26 A E H <5S+ 0 0 7 -4,-2.1 6,-0.3 -3,-0.3 -1,-0.2 0.979 116.1 41.6 -56.5 -54.9 48.8 43.0 59.9 19 27 A K H <5S+ 0 0 86 -4,-1.7 -1,-0.2 5,-0.3 -2,-0.2 0.886 122.4 38.3 -57.8 -48.3 50.3 40.7 57.5 20 28 A N H <5S+ 0 0 21 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.893 132.3 16.4 -71.6 -49.4 51.7 38.1 60.2 21 29 A V T <5S+ 0 0 33 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.880 129.2 40.1 -91.8 -65.1 49.0 38.0 62.8 22 30 A S S + 0 0 25 -6,-0.3 4,-4.9 1,-0.2 -5,-0.3 -0.170 12.0 159.9 -50.4 66.6 45.3 42.2 56.6 25 33 A I H > S+ 0 0 89 -2,-2.1 4,-3.2 2,-0.2 5,-0.2 0.895 78.8 51.7 -58.2 -39.6 47.4 42.2 53.5 26 34 A H H > S+ 0 0 154 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.980 116.2 38.6 -60.4 -51.8 45.7 45.4 52.5 27 35 A K H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.905 115.6 54.7 -60.1 -49.0 46.4 47.1 55.8 28 36 A Y H X S+ 0 0 29 -4,-4.9 4,-1.6 1,-0.3 -1,-0.2 0.946 110.0 44.3 -49.7 -54.6 49.7 45.5 55.8 29 37 A N H X S+ 0 0 77 -4,-3.2 4,-1.5 -5,-0.2 -1,-0.3 0.777 106.8 65.6 -61.7 -27.7 50.5 46.9 52.4 30 38 A A H >X S+ 0 0 31 -4,-1.2 4,-1.7 -5,-0.2 3,-0.7 0.993 100.7 45.8 -59.8 -59.2 49.0 50.2 53.7 31 39 A Y H 3X S+ 0 0 14 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.835 107.6 63.9 -50.0 -40.7 51.8 50.7 56.3 32 40 A R H 3X S+ 0 0 144 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.848 103.5 39.0 -58.3 -44.6 54.4 49.9 53.7 33 41 A K H X S+ 0 0 34 -4,-4.4 4,-1.7 2,-0.2 3,-0.5 0.933 114.2 48.0 -70.5 -42.9 57.0 57.6 51.5 38 46 A I H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 107.7 65.0 -62.7 -29.7 57.6 59.2 54.9 39 47 A A H 3< S+ 0 0 49 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.861 104.0 39.9 -59.4 -41.4 61.0 57.5 54.4 40 48 A K H << S+ 0 0 176 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.850 88.1 121.3 -78.3 -30.9 62.0 59.7 51.4 41 49 A Y < - 0 0 42 -4,-1.7 4,-0.2 -5,-0.2 -38,-0.1 -0.103 57.0-148.6 -45.6 111.8 60.5 62.8 52.9 42 50 A P + 0 0 82 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.305 66.8 64.1 -60.1 -7.3 63.1 65.4 53.3 43 51 A H S S- 0 0 113 -39,-0.0 2,-0.9 0, 0.0 -40,-0.0 -0.615 89.0 -91.5-122.8-175.2 61.9 67.1 56.4 44 52 A K - 0 0 122 -2,-0.2 2,-0.7 -40,-0.0 -40,-0.1 -0.807 41.4-131.8 -95.4 108.5 61.2 66.5 60.1 45 53 A I + 0 0 7 -2,-0.9 -38,-0.1 -42,-0.3 3,-0.1 -0.397 31.0 175.7 -61.8 108.5 57.7 65.4 60.4 46 54 A K + 0 0 155 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.522 57.4 5.8 -94.8 -2.2 56.4 67.5 63.1 47 55 A S > - 0 0 38 1,-0.2 4,-1.6 -3,-0.0 -1,-0.2 -0.995 68.7-103.8-170.5 165.3 52.8 66.4 63.0 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 3,-1.9 0.989 115.9 51.4 -54.9 -66.9 50.2 64.1 61.8 49 57 A A H 3> S+ 0 0 65 1,-0.3 4,-1.1 2,-0.3 -1,-0.2 0.758 107.0 54.9 -41.7 -36.1 48.6 66.6 59.5 50 58 A E H 34 S+ 0 0 41 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.876 112.5 43.3 -67.8 -39.1 51.9 67.3 58.0 51 59 A A H X< S+ 0 0 0 -3,-1.9 3,-5.4 -4,-1.6 -2,-0.3 0.952 103.3 63.3 -68.2 -51.8 52.3 63.8 57.2 52 60 A K H 3< S+ 0 0 95 -4,-2.6 5,-0.2 1,-0.4 -1,-0.2 0.782 88.8 75.1 -42.0 -35.4 48.8 63.3 56.0 53 61 A K T 3< S+ 0 0 165 -4,-1.1 -1,-0.4 -5,-0.3 -2,-0.2 0.698 83.5 85.9 -54.7 -22.6 49.8 65.6 53.4 54 62 A L S X S- 0 0 33 -3,-5.4 3,-0.9 1,-0.1 2,-0.2 -0.437 90.0-102.4 -83.5 163.8 51.7 62.9 51.9 55 63 A P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.538 110.0 27.9 -77.1 143.2 50.4 60.2 49.4 56 64 A G T 3 S+ 0 0 30 1,-0.2 2,-0.8 -2,-0.2 -22,-0.2 0.213 99.1 113.8 88.3 -18.4 49.7 56.9 51.0 57 65 A V < + 0 0 11 -3,-0.9 -1,-0.2 -5,-0.2 2,-0.1 -0.768 43.1 170.3 -98.3 115.3 49.1 58.8 54.2 58 66 A G > - 0 0 29 -2,-0.8 4,-1.6 -3,-0.1 5,-0.1 -0.220 48.8 -84.9-102.8-166.5 45.6 58.7 55.4 59 67 A T H > S+ 0 0 87 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.814 120.8 53.1 -72.5 -37.7 43.7 59.7 58.4 60 68 A K H > S+ 0 0 127 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.796 113.1 42.2 -70.8 -32.1 44.4 56.6 60.4 61 69 A I H > S+ 0 0 12 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.849 111.3 55.0 -80.5 -39.4 48.1 56.8 60.0 62 70 A A H X S+ 0 0 6 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.927 106.6 54.1 -58.4 -40.3 48.1 60.4 60.6 63 71 A E H X S+ 0 0 125 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.938 108.7 48.0 -55.3 -49.1 46.3 59.6 63.8 64 72 A K H X S+ 0 0 36 -4,-1.3 4,-2.1 1,-0.2 5,-0.2 0.878 105.4 56.4 -63.1 -43.7 48.9 57.2 64.8 65 73 A I H X S+ 0 0 0 -4,-3.0 4,-3.4 1,-0.2 5,-0.3 0.886 104.3 56.6 -61.6 -32.4 51.8 59.5 64.0 66 74 A D H X S+ 0 0 74 -4,-1.9 4,-5.2 -5,-0.2 -1,-0.2 0.976 106.8 45.7 -63.0 -50.2 50.3 62.0 66.4 67 75 A E H X S+ 0 0 71 -4,-1.6 4,-3.1 1,-0.2 6,-0.5 0.881 115.5 49.0 -57.2 -41.2 50.2 59.7 69.4 68 76 A F H < S+ 0 0 55 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.969 116.6 39.1 -69.3 -47.0 53.6 58.7 68.6 69 77 A L H < S+ 0 0 60 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.969 117.8 51.2 -67.5 -41.8 54.9 62.2 68.3 70 78 A A H < S+ 0 0 88 -4,-5.2 2,-0.3 -5,-0.3 -2,-0.2 0.938 127.1 13.6 -55.5 -49.3 52.8 63.3 71.2 71 79 A T S < S- 0 0 70 -4,-3.1 -1,-0.1 2,-0.4 0, 0.0 -0.876 85.1-107.1-125.4 156.2 54.1 60.5 73.5 72 80 A G S S+ 0 0 70 -2,-0.3 2,-0.3 -3,-0.0 -4,-0.1 0.357 95.6 40.0 -67.4 10.6 57.0 58.1 73.1 73 81 A K - 0 0 81 -6,-0.5 -2,-0.4 -5,-0.1 2,-0.3 -0.829 69.0-125.8-146.5-171.5 54.8 55.3 72.4 74 82 A L > - 0 0 2 -2,-0.3 4,-3.1 1,-0.1 5,-0.1 -0.992 16.0-144.6-138.6 123.0 51.8 53.9 70.8 75 83 A R H > S+ 0 0 180 -2,-0.3 4,-4.1 1,-0.2 5,-0.2 0.960 104.7 48.8 -55.6 -49.2 49.0 51.9 72.7 76 84 A K H > S+ 0 0 78 1,-0.3 4,-2.5 2,-0.3 5,-0.2 0.896 111.9 48.2 -54.4 -44.8 48.5 49.6 69.8 77 85 A L H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.938 114.9 48.2 -63.1 -41.7 52.2 49.0 69.5 78 86 A E H X S+ 0 0 71 -4,-3.1 4,-0.5 1,-0.2 -2,-0.3 0.957 110.2 48.1 -62.8 -50.5 52.1 48.5 73.2 79 87 A K H >X S+ 0 0 132 -4,-4.1 4,-1.7 1,-0.2 3,-0.8 0.885 114.0 47.2 -56.4 -45.3 49.1 46.1 73.3 80 88 A I H 3< S+ 0 0 21 -4,-2.5 7,-0.2 1,-0.2 -1,-0.2 0.890 103.6 60.9 -64.6 -43.9 50.6 43.9 70.3 81 89 A R H 3< S+ 0 0 134 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.621 113.6 40.1 -59.4 -15.7 54.2 43.6 71.9 82 90 A Q H << S+ 0 0 138 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.924 84.1 104.4 -90.9 -70.0 52.5 42.0 74.8 83 91 A D X - 0 0 65 -4,-1.7 4,-2.3 1,-0.1 3,-0.3 0.212 60.7-147.4 -20.8 107.1 49.9 39.7 73.5 84 92 A D H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.849 94.2 57.5 -55.5 -38.4 51.1 36.2 73.7 85 93 A T H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.948 107.2 47.2 -58.5 -46.1 49.3 35.1 70.6 86 94 A S H > S+ 0 0 4 -3,-0.3 4,-1.6 1,-0.2 3,-0.3 0.960 112.6 51.0 -59.7 -45.6 51.0 37.7 68.5 87 95 A S H X S+ 0 0 51 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.810 103.2 58.0 -65.3 -29.1 54.3 36.7 70.0 88 96 A S H X S+ 0 0 13 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.925 104.4 51.9 -65.1 -39.4 53.9 33.1 69.3 89 97 A I H X S+ 0 0 6 -4,-1.8 4,-1.3 -3,-0.3 -1,-0.2 0.845 106.8 52.3 -64.8 -38.2 53.4 33.7 65.7 90 98 A N H < S+ 0 0 68 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.832 114.9 44.0 -72.1 -22.2 56.6 35.8 65.5 91 99 A F H >< S+ 0 0 59 -4,-1.4 3,-1.4 -5,-0.2 4,-0.3 0.861 108.4 51.8 -83.0 -44.3 58.5 33.0 67.1 92 100 A L H >< S+ 0 0 0 -4,-3.1 3,-2.7 1,-0.3 6,-0.2 0.918 100.8 65.0 -59.8 -40.6 57.1 30.0 65.3 93 101 A T T 3< S+ 0 0 43 -4,-1.3 -1,-0.3 1,-0.3 5,-0.2 0.658 84.2 76.9 -53.7 -23.1 57.9 31.6 62.1 94 102 A R T < S+ 0 0 112 -3,-1.4 -1,-0.3 -4,-0.1 2,-0.2 0.712 76.9 91.4 -66.2 -21.6 61.5 31.4 63.1 95 103 A V S X S- 0 0 4 -3,-2.7 3,-1.6 -4,-0.3 2,-0.8 -0.517 91.2-111.0 -76.2 144.4 61.5 27.8 62.2 96 104 A S T 3 S+ 0 0 40 1,-0.3 35,-0.5 -2,-0.2 36,-0.2 -0.710 105.9 25.7 -80.7 116.1 62.4 27.0 58.7 97 105 A G T 3 S+ 0 0 33 -2,-0.8 2,-0.6 1,-0.3 -1,-0.3 0.201 96.2 102.1 117.1 -9.8 59.3 25.8 57.1 98 106 A I < + 0 0 9 -3,-1.6 -1,-0.3 -5,-0.2 26,-0.0 -0.955 45.9 177.9-110.7 124.8 56.8 27.5 59.2 99 107 A G > - 0 0 30 -2,-0.6 4,-2.3 -3,-0.1 5,-0.1 -0.334 49.0 -86.9-105.8-170.3 55.3 30.6 57.7 100 108 A P H > S+ 0 0 41 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.894 125.6 57.6 -66.3 -42.1 52.7 32.7 59.2 101 109 A S H > S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.962 111.8 40.5 -50.3 -62.5 49.9 30.7 57.9 102 110 A A H > S+ 0 0 17 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.823 109.8 59.5 -55.2 -43.4 51.2 27.7 59.6 103 111 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.928 103.9 52.5 -55.7 -45.2 52.1 29.6 62.7 104 112 A R H X S+ 0 0 47 -4,-3.6 4,-1.8 -3,-0.3 -1,-0.2 0.942 108.6 49.8 -55.2 -49.3 48.5 30.6 63.0 105 113 A K H >X S+ 0 0 97 -4,-1.5 3,-1.4 1,-0.2 4,-0.6 0.979 111.3 47.0 -52.8 -65.6 47.3 27.0 62.8 106 114 A F H 3<>S+ 0 0 0 -4,-2.2 5,-3.5 1,-0.3 4,-0.5 0.783 110.6 53.0 -46.8 -35.5 49.7 25.6 65.5 107 115 A V H 3<5S+ 0 0 5 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.874 106.7 51.9 -70.4 -33.7 48.9 28.4 67.8 108 116 A D H <<5S+ 0 0 125 -4,-1.8 -1,-0.3 -3,-1.4 -2,-0.2 0.508 109.8 50.1 -78.3 -5.2 45.3 27.7 67.6 109 117 A E T <5S- 0 0 108 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.542 124.9-107.7-107.0 -4.5 46.2 24.3 68.3 110 118 A G T 5S+ 0 0 37 -4,-0.5 2,-1.0 1,-0.3 -3,-0.2 0.403 74.8 135.4 100.3 -2.5 48.1 25.5 71.3 111 119 A I < + 0 0 5 -5,-3.5 -1,-0.3 1,-0.2 -2,-0.2 -0.689 15.9 146.7 -80.4 109.3 51.6 24.9 69.9 112 120 A K + 0 0 68 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.2 0.482 50.5 37.1-122.7 -5.5 53.4 28.0 70.9 113 121 A T S > S- 0 0 58 -3,-0.2 4,-3.0 1,-0.1 5,-0.1 -0.853 85.8 -90.7-141.0 178.0 56.9 27.0 71.6 114 122 A L H > S+ 0 0 36 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.855 124.7 47.5 -57.8 -38.3 59.8 24.9 70.8 115 123 A E H > S+ 0 0 134 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.947 107.2 56.1 -69.8 -43.7 58.8 22.3 73.2 116 124 A D H > S+ 0 0 46 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.917 107.5 51.4 -48.3 -51.2 55.2 22.3 71.8 117 125 A L H < S+ 0 0 1 -4,-3.0 3,-0.3 1,-0.2 -1,-0.3 0.924 107.4 49.1 -56.5 -50.7 56.6 21.6 68.6 118 126 A R H >< S+ 0 0 125 -4,-1.9 3,-2.0 1,-0.3 -2,-0.2 0.932 109.0 54.3 -56.1 -46.4 58.8 18.7 69.6 119 127 A K H 3< S+ 0 0 162 -4,-2.9 3,-0.3 1,-0.3 -1,-0.3 0.835 116.1 40.3 -55.2 -34.6 55.8 17.1 71.4 120 128 A N T >< + 0 0 43 -4,-1.8 3,-1.5 -3,-0.3 -1,-0.3 -0.088 67.6 134.9-109.1 40.8 53.9 17.4 68.2 121 129 A E G X + 0 0 91 -3,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.679 68.0 71.8 -60.2 -11.5 56.5 16.5 65.7 122 130 A D G 3 S+ 0 0 115 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.930 93.2 53.4 -68.9 -38.6 53.8 14.4 64.2 123 131 A K G < S+ 0 0 86 -3,-1.5 2,-0.4 -6,-0.2 -1,-0.2 0.409 95.5 82.0 -74.2 -0.7 52.1 17.5 63.0 124 132 A L S < S- 0 0 3 -3,-0.8 2,-0.1 -4,-0.3 -26,-0.0 -0.870 72.8-131.0-109.2 153.1 55.0 19.0 61.1 125 133 A N > - 0 0 82 -2,-0.4 4,-2.1 -28,-0.1 5,-0.2 -0.357 38.5 -84.5 -89.4 173.1 56.2 18.0 57.7 126 134 A H H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.840 126.2 43.1 -40.9 -59.2 59.7 17.1 56.5 127 135 A H H > S+ 0 0 38 1,-0.3 4,-2.8 2,-0.2 3,-0.3 0.969 115.7 51.1 -55.3 -54.7 61.1 20.6 55.9 128 136 A Q H > S+ 0 0 16 1,-0.3 4,-1.8 -31,-0.2 -1,-0.3 0.758 109.8 51.3 -53.5 -29.0 59.5 21.8 59.1 129 137 A R H X S+ 0 0 99 -4,-2.1 4,-2.3 -3,-0.4 -1,-0.3 0.918 108.3 47.5 -77.0 -42.7 61.0 19.0 60.9 130 138 A I H X S+ 0 0 7 -4,-2.3 4,-2.3 -3,-0.3 -2,-0.2 0.935 111.0 54.7 -61.5 -41.8 64.5 19.6 59.7 131 139 A G H < S+ 0 0 1 -4,-2.8 4,-0.4 -35,-0.5 -1,-0.2 0.892 107.8 49.5 -54.1 -47.8 63.9 23.1 60.6 132 140 A L H >< S+ 0 0 10 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.891 110.1 50.3 -64.2 -36.7 63.0 22.1 64.1 133 141 A K H 3< S+ 0 0 130 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.860 117.6 38.2 -72.2 -31.9 66.0 20.0 64.5 134 142 A Y T 3X S+ 0 0 15 -4,-2.3 4,-3.9 -5,-0.2 5,-0.2 0.233 75.1 127.4-104.8 20.5 68.4 22.6 63.4 135 143 A F H <> S+ 0 0 20 -3,-0.7 4,-0.9 -4,-0.4 -1,-0.2 0.811 80.5 37.2 -39.8 -51.8 66.8 25.7 65.0 136 144 A G H >> S+ 0 0 38 -3,-0.2 3,-3.9 2,-0.2 4,-0.8 0.996 118.2 47.2 -64.2 -72.7 69.9 26.8 66.7 137 145 A D H >4 S+ 0 0 32 1,-0.3 3,-1.0 2,-0.2 -2,-0.2 0.769 111.0 58.8 -33.6 -46.2 72.5 25.9 64.0 138 146 A F H 3< S+ 0 0 42 -4,-3.9 -1,-0.3 1,-0.3 -2,-0.2 0.745 103.9 46.1 -61.5 -31.3 70.1 27.5 61.6 139 147 A E H << S+ 0 0 103 -3,-3.9 2,-0.3 -4,-0.9 -1,-0.3 0.583 90.4 106.7 -89.4 -8.1 70.2 30.8 63.3 140 148 A K S << S- 0 0 101 -3,-1.0 -4,-0.0 -4,-0.8 0, 0.0 -0.555 72.9-122.2 -72.4 127.1 74.0 30.8 63.6 141 149 A R - 0 0 152 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.041 23.9-120.1 -59.8 170.8 75.8 33.1 61.3 142 150 A I E -A 180 0A 0 38,-2.7 38,-4.4 40,-0.1 2,-0.3 -0.949 21.3-142.6-118.9 110.8 78.4 31.5 59.0 143 151 A P E >> -A 179 0A 38 0, 0.0 3,-4.0 0, 0.0 4,-1.5 -0.560 17.8-123.9 -74.9 129.8 82.0 32.8 59.4 144 152 A R H 3> S+ 0 0 67 34,-3.1 4,-2.0 1,-0.3 5,-0.2 0.710 109.3 69.6 -42.3 -29.4 84.1 33.1 56.2 145 153 A E H 34 S+ 0 0 119 33,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.729 109.0 34.3 -63.4 -23.3 86.6 30.9 57.7 146 154 A E H <> S+ 0 0 24 -3,-4.0 4,-2.8 2,-0.2 -2,-0.2 0.729 109.5 65.3 -94.6 -37.1 84.1 28.0 57.3 147 155 A M H X S+ 0 0 1 -4,-1.5 4,-3.2 1,-0.2 -2,-0.2 0.892 104.3 46.6 -48.2 -49.6 82.7 29.5 54.1 148 156 A L H X S+ 0 0 75 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.801 110.2 52.9 -64.4 -39.5 86.2 28.8 52.4 149 157 A Q H > S+ 0 0 59 -4,-0.3 4,-1.1 -5,-0.2 -2,-0.2 0.912 114.3 43.3 -66.4 -38.8 86.3 25.3 53.9 150 158 A M H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 3,-0.3 0.922 112.2 51.0 -66.7 -49.8 82.9 24.7 52.4 151 159 A Q H X S+ 0 0 58 -4,-3.2 4,-2.0 1,-0.3 5,-0.3 0.893 106.8 57.4 -56.5 -40.2 83.6 26.3 49.1 152 160 A D H X S+ 0 0 85 -4,-1.9 4,-1.1 1,-0.2 -1,-0.3 0.870 109.9 43.2 -60.5 -37.4 86.7 24.2 48.9 153 161 A I H X S+ 0 0 37 -4,-1.1 4,-2.6 -3,-0.3 5,-0.2 0.983 112.3 48.5 -74.8 -53.2 84.7 21.0 49.2 154 162 A V H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.949 113.0 47.9 -50.0 -60.9 81.9 21.7 46.9 155 163 A L H X S+ 0 0 57 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.821 111.7 50.9 -52.6 -38.5 84.1 22.9 44.0 156 164 A N H X S+ 0 0 84 -4,-1.1 4,-2.1 -5,-0.3 -1,-0.2 0.946 112.9 44.7 -68.1 -45.1 86.4 20.0 44.4 157 165 A E H X S+ 0 0 24 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.898 111.5 52.3 -64.9 -40.2 83.5 17.5 44.3 158 166 A V H X S+ 0 0 7 -4,-2.8 4,-1.9 -5,-0.2 7,-0.3 0.930 107.4 54.3 -60.5 -43.1 81.8 19.2 41.4 159 167 A K H < S+ 0 0 136 -4,-1.8 3,-0.4 -5,-0.3 -2,-0.2 0.960 105.8 53.0 -55.1 -53.0 85.1 19.1 39.5 160 168 A K H < S+ 0 0 127 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.895 107.0 49.2 -51.7 -48.2 85.4 15.3 40.0 161 169 A V H < S- 0 0 51 -4,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.852 134.0 -2.7 -64.3 -32.8 82.0 14.5 38.6 162 170 A D >< - 0 0 50 -4,-1.9 3,-1.5 -3,-0.4 -1,-0.3 -0.844 53.3-151.2-162.0 123.1 82.5 16.6 35.5 163 171 A S T 3 S+ 0 0 86 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.686 99.4 63.3 -65.4 -21.9 85.4 18.8 34.5 164 172 A E T 3 S+ 0 0 113 -5,-0.1 -1,-0.3 -3,-0.1 -5,-0.1 0.412 76.4 108.2 -80.6 -8.2 83.0 20.8 32.6 165 173 A Y < - 0 0 19 -3,-1.5 2,-0.4 -7,-0.3 24,-0.2 -0.369 53.0-154.1 -71.3 157.5 80.8 22.0 35.5 166 174 A I E +B 188 0B 54 22,-1.4 22,-1.5 2,-0.0 2,-0.4 -0.970 16.1 177.9-132.9 114.5 81.0 25.6 36.5 167 175 A A E -B 187 0B 22 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.937 4.8-179.8-123.0 146.8 80.2 26.5 40.1 168 176 A T E -B 186 0B 30 18,-1.5 18,-3.1 -2,-0.4 2,-0.8 -0.994 22.5-139.7-143.2 135.6 80.3 29.7 41.7 169 177 A V E +B 185 0B 8 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.879 31.0 178.8-100.9 111.8 79.5 30.7 45.2 170 178 A C + 0 0 2 14,-2.0 14,-0.4 -2,-0.8 3,-0.4 0.064 30.0 84.8 -89.8-153.5 77.7 34.0 45.2 171 179 A G S >> S- 0 0 19 93,-0.3 4,-0.8 1,-0.2 3,-0.7 -0.440 104.2 -51.0 91.6-171.4 76.3 36.0 48.0 172 180 A S T 34 S+ 0 0 28 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.732 132.9 73.4 -72.5 -24.2 78.0 38.5 50.2 173 181 A F T >4 S+ 0 0 11 -3,-0.4 3,-0.6 1,-0.3 -1,-0.2 0.844 99.9 45.4 -53.9 -33.0 80.6 35.7 50.6 174 182 A R T <4 S+ 0 0 51 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.809 109.5 53.8 -75.6 -38.7 81.4 36.7 47.0 175 183 A R T 3< S- 0 0 63 -4,-0.8 2,-0.8 90,-0.1 -1,-0.2 0.097 126.3 -94.1 -84.5 18.1 81.4 40.5 47.8 176 184 A G < + 0 0 30 -3,-0.6 147,-0.1 1,-0.2 -4,-0.1 -0.605 64.9 164.9 107.4 -75.2 83.9 40.0 50.7 177 185 A A - 0 0 36 -2,-0.8 -1,-0.2 146,-0.1 -33,-0.1 0.759 39.3-134.0 18.8 126.8 81.6 39.7 53.8 178 186 A E S S+ 0 0 144 1,-0.1 -34,-3.1 -35,-0.1 -33,-0.3 0.734 86.2 6.1 -71.5 -23.9 83.1 38.3 57.1 179 187 A S E -A 143 0A 38 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.971 69.6-157.6-153.3 161.1 80.3 36.0 57.7 180 188 A S E -A 142 0A 3 -38,-4.4 -38,-2.7 -2,-0.3 3,-0.1 -0.931 25.2-126.6-144.9 167.7 77.2 34.9 55.9 181 189 A G S S- 0 0 36 -2,-0.3 65,-0.4 1,-0.2 2,-0.3 0.792 83.2 -14.4 -80.1 -37.3 73.9 33.4 56.5 182 190 A D - 0 0 81 63,-0.1 2,-0.6 -40,-0.1 -1,-0.2 -0.992 68.9 -92.6-161.9 162.9 74.0 30.4 54.0 183 191 A M E - c 0 247B 1 63,-2.5 65,-2.3 -2,-0.3 2,-0.5 -0.721 36.0-174.3 -89.2 125.5 75.8 28.8 51.2 184 192 A D E - c 0 248B 25 -2,-0.6 -14,-2.0 -14,-0.4 2,-0.4 -0.885 4.5-170.1-122.1 101.4 74.4 29.8 47.7 185 193 A V E -Bc 169 249B 2 63,-2.8 65,-2.1 -2,-0.5 2,-0.5 -0.740 11.5-152.2 -97.3 133.1 75.9 28.0 44.7 186 194 A L E -Bc 168 250B 2 -18,-3.1 -18,-1.5 -2,-0.4 2,-0.4 -0.809 22.4-166.9 -97.1 131.1 75.3 28.9 41.0 187 195 A L E +Bc 167 251B 1 63,-2.9 65,-2.9 -2,-0.5 2,-0.3 -0.952 16.3 151.3-131.4 144.2 75.6 26.0 38.7 188 196 A T E -B 166 0B 0 -22,-1.5 -22,-1.4 -2,-0.4 5,-0.1 -0.849 19.8-158.8-148.8-177.4 75.9 25.5 34.9 189 197 A H > - 0 0 12 63,-0.5 65,-0.9 3,-0.4 3,-0.8 -0.908 31.3-120.7-166.6 147.4 77.3 23.3 32.3 190 198 A P T 3 S+ 0 0 65 0, 0.0 2,-0.6 0, 0.0 65,-0.1 0.839 112.7 62.9 -62.4 -36.1 78.1 23.9 28.6 191 199 A S T 3 S+ 0 0 59 1,-0.1 2,-0.3 -27,-0.1 11,-0.1 -0.125 97.0 71.0 -81.5 36.3 75.7 21.2 27.8 192 200 A F < + 0 0 15 -3,-0.8 62,-4.5 -2,-0.6 -3,-0.4 -0.797 60.2 126.9-163.1 114.3 72.8 23.2 29.3 193 201 A T - 0 0 32 60,-0.3 3,-0.2 -2,-0.3 5,-0.1 -0.998 63.6 -59.7-165.6 166.3 71.1 26.1 28.0 194 202 A S S S+ 0 0 66 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.476 128.4 20.2 -8.8 -61.4 68.2 28.2 27.0 195 203 A E S S+ 0 0 167 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.881 96.7 107.2 -85.3 -48.8 67.0 26.0 24.2 196 204 A S S S- 0 0 39 -3,-0.2 2,-1.3 1,-0.2 3,-0.1 0.052 80.1-117.7 -33.9 120.1 68.7 22.7 25.2 197 205 A T - 0 0 132 1,-0.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.604 51.3 -75.6 -82.0 107.8 66.1 20.6 26.4 198 206 A K - 0 0 91 -2,-1.3 -1,-0.1 1,-0.1 -5,-0.1 0.577 32.1-163.6 35.0 176.6 66.8 19.8 30.0 199 207 A Q + 0 0 78 25,-0.2 4,-0.3 -3,-0.1 -1,-0.1 -0.223 9.2 176.2 162.2 91.3 69.1 17.6 31.8 200 208 A P S >> S+ 0 0 47 0, 0.0 4,-2.8 0, 0.0 3,-0.9 0.675 81.1 66.9 -76.8 -30.0 68.1 17.1 35.4 201 209 A K H 3> S+ 0 0 112 1,-0.3 4,-3.1 2,-0.2 5,-0.4 0.882 85.2 75.3 -61.6 -34.9 70.9 14.7 35.9 202 210 A L H 34 S+ 0 0 4 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.847 111.0 24.4 -43.3 -45.0 73.0 17.8 35.4 203 211 A L H <> S+ 0 0 0 -3,-0.9 4,-1.6 -4,-0.3 3,-0.4 0.884 117.6 59.4 -90.9 -40.2 72.0 18.8 38.9 204 212 A H H X S+ 0 0 39 -4,-2.8 4,-1.7 1,-0.2 5,-0.2 0.868 99.5 60.7 -56.4 -38.3 71.2 15.4 40.5 205 213 A Q H X S+ 0 0 72 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.919 105.6 44.6 -56.3 -47.3 74.6 14.1 39.9 206 214 A V H > S+ 0 0 2 -4,-0.5 4,-2.5 -3,-0.4 -1,-0.2 0.862 108.9 56.0 -67.9 -36.3 76.3 16.7 41.9 207 215 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.837 106.7 52.6 -63.7 -32.4 73.9 16.5 44.8 208 216 A E H X S+ 0 0 116 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.927 107.0 50.5 -68.1 -44.8 74.7 12.9 45.1 209 217 A Q H X S+ 0 0 27 -4,-1.6 4,-3.1 1,-0.2 6,-0.3 0.951 107.2 54.4 -58.5 -47.3 78.3 13.5 45.2 210 218 A L H <>S+ 0 0 1 -4,-2.5 5,-2.6 1,-0.3 6,-1.2 0.902 115.1 38.9 -57.0 -41.4 78.0 15.9 47.9 211 219 A Q H <5S+ 0 0 69 -4,-1.9 3,-0.4 3,-0.2 -1,-0.3 0.779 107.3 66.1 -80.5 -23.7 76.0 13.5 50.0 212 220 A K H <5S+ 0 0 146 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.995 111.3 35.0 -57.9 -61.5 78.3 10.7 48.9 213 221 A V T <5S- 0 0 56 -4,-3.1 -1,-0.3 1,-0.1 -2,-0.2 0.432 120.2-112.3 -71.7 0.3 81.1 12.3 50.7 214 222 A H T 5S+ 0 0 137 -3,-0.4 -3,-0.2 -4,-0.3 18,-0.2 0.647 82.1 118.8 83.0 15.7 78.7 13.6 53.5 215 223 A F S - 0 0 17 0, 0.0 3,-2.2 0, 0.0 -60,-0.3 -0.545 34.6-122.6 -67.5 137.4 71.7 27.3 31.4 254 262 A K G > S+ 0 0 62 -62,-4.5 3,-1.7 -65,-0.9 4,-0.3 0.843 108.5 67.6 -46.8 -45.5 75.1 28.2 30.5 255 263 A D G 3 S+ 0 0 76 -63,-0.3 -1,-0.3 1,-0.3 50,-0.2 0.358 109.3 36.6 -62.9 11.9 73.8 30.9 28.3 256 264 A Q G <> S+ 0 0 35 -3,-2.2 4,-0.7 33,-0.1 -1,-0.3 0.307 83.2 108.1-148.5 18.5 72.5 32.9 31.3 257 265 A Y H X> S+ 0 0 2 -3,-1.7 4,-3.4 1,-0.2 3,-1.4 0.966 73.6 49.5 -59.3 -70.7 75.0 32.3 34.0 258 266 A Y H 3> S+ 0 0 38 -4,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.709 108.2 52.9 -49.8 -31.3 76.9 35.6 34.4 259 267 A C H 3> S+ 0 0 7 29,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.813 115.2 43.0 -74.3 -30.6 73.8 37.7 34.7 260 268 A G H X S+ 0 0 6 -4,-2.7 3,-1.2 -5,-0.2 4,-0.5 0.991 116.0 48.2 -53.8 -64.2 76.2 39.0 38.6 263 271 A Y H >< S+ 0 0 57 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.781 109.3 48.2 -41.5 -59.1 72.8 39.4 40.0 264 272 A F H 3< S+ 0 0 70 -4,-4.0 -93,-0.3 1,-0.3 -1,-0.3 0.681 101.9 66.1 -62.8 -25.5 73.0 37.0 43.0 265 273 A T H << S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 0.602 91.0 136.6 -71.1 -17.7 76.3 38.6 44.0 266 274 A G << - 0 0 3 -3,-1.4 -1,-0.2 -4,-0.5 2,-0.2 -0.010 62.3-155.4 48.8-153.7 74.4 41.8 44.7 267 275 A S >> - 0 0 13 -3,-0.1 4,-2.4 59,-0.1 3,-0.8 0.629 35.2-129.3 -82.1 164.1 74.1 43.8 46.7 268 276 A D H 3> S+ 0 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