==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 11-APR-11 3RH4 . COMPND 2 MOLECULE: 5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.A.CAVANAUGH,W.A.BEARD,V.K.BATRA,L.PERERA,L.G.PEDERSEN,S.H. . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 67.5 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 . 31 9.5 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 . 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 . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.7 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 2 2 0 1 2 3 0 1 0 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 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 . 2 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 10 A T > 0 0 162 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 177.9 9.4 -15.7 12.8 2 11 A L T 3 + 0 0 94 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.825 360.0 10.2 -53.7 -47.6 11.0 -17.3 9.7 3 12 A N T 3> S+ 0 0 13 35,-0.1 4,-2.3 1,-0.1 3,-0.4 -0.167 86.9 137.9-123.0 37.5 14.3 -15.5 9.8 4 13 A G H <> + 0 0 13 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.812 66.5 57.0 -56.0 -37.7 13.9 -13.9 13.2 5 14 A G H > S+ 0 0 34 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.934 111.2 42.8 -60.6 -46.8 17.5 -14.5 14.3 6 15 A I H > S+ 0 0 4 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.922 114.4 48.7 -65.1 -47.3 18.9 -12.7 11.4 7 16 A T H X S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.891 111.5 51.0 -64.9 -36.5 16.5 -9.8 11.5 8 17 A D H X S+ 0 0 110 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.923 110.6 49.4 -61.8 -45.7 17.1 -9.4 15.3 9 18 A M H X S+ 0 0 7 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.946 113.4 45.8 -58.0 -49.9 20.9 -9.3 14.6 10 19 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.884 111.3 52.0 -62.5 -40.2 20.5 -6.7 11.9 11 20 A T H X S+ 0 0 57 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.893 109.6 50.0 -63.7 -39.4 18.2 -4.6 14.1 12 21 A E H X S+ 0 0 54 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.919 111.2 48.7 -65.9 -42.5 20.7 -4.7 16.9 13 22 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.909 109.4 53.4 -61.2 -43.4 23.5 -3.6 14.5 14 23 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.927 109.2 48.7 -55.8 -48.1 21.2 -0.8 13.3 15 24 A N H X S+ 0 0 67 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.888 109.0 52.7 -61.2 -41.0 20.7 0.4 16.8 16 25 A F H X>S+ 0 0 19 -4,-2.2 4,-2.4 1,-0.2 5,-1.7 0.947 109.8 48.9 -59.8 -47.0 24.4 0.3 17.6 17 26 A E H <>S+ 0 0 6 -4,-2.4 6,-2.9 3,-0.2 5,-0.7 0.885 117.3 41.0 -61.4 -40.7 25.1 2.4 14.5 18 27 A K H <5S+ 0 0 85 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.964 125.0 32.0 -71.3 -53.5 22.4 5.0 15.3 19 28 A N H <5S+ 0 0 16 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.852 135.0 19.0 -77.6 -37.5 22.9 5.3 19.1 20 29 A V T <5S+ 0 0 11 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.887 131.1 35.7-101.0 -60.8 26.7 4.7 19.5 21 30 A S T - 0 0 29 -6,-2.9 4,-2.1 1,-0.1 3,-0.4 -0.844 27.3-178.5-115.3 91.2 25.9 6.9 11.6 24 33 A I H > S+ 0 0 99 -2,-0.6 4,-2.4 1,-0.2 -1,-0.1 0.758 79.4 53.9 -65.3 -29.8 22.3 7.4 10.4 25 34 A H H > S+ 0 0 154 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.859 109.1 48.4 -76.1 -34.3 22.9 5.9 6.9 26 35 A K H > S+ 0 0 119 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.916 110.9 52.1 -67.6 -44.6 24.3 2.7 8.4 27 36 A Y H X S+ 0 0 30 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.951 113.5 43.6 -50.6 -53.1 21.3 2.6 10.7 28 37 A N H X S+ 0 0 32 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.899 111.7 53.4 -65.8 -40.2 19.0 3.0 7.8 29 38 A A H X S+ 0 0 51 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.958 110.7 46.6 -57.5 -52.3 20.9 0.5 5.6 30 39 A Y H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.891 112.3 49.7 -57.5 -42.4 20.6 -2.2 8.4 31 40 A R H X S+ 0 0 53 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.888 109.7 52.4 -65.5 -37.2 16.9 -1.6 9.0 32 41 A K H X S+ 0 0 96 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.929 110.4 47.5 -63.5 -45.8 16.3 -1.8 5.2 33 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 22,-0.3 5,-0.2 0.928 112.3 49.1 -60.3 -46.2 18.1 -5.2 5.0 34 43 A A H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.891 111.7 50.9 -62.1 -37.9 16.2 -6.5 8.1 35 44 A S H X S+ 0 0 15 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.937 111.6 44.6 -67.0 -46.6 12.9 -5.3 6.5 36 45 A V H X S+ 0 0 32 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.905 116.7 47.5 -67.0 -36.2 13.5 -7.0 3.1 37 46 A I H >< S+ 0 0 0 -4,-2.5 3,-0.5 -5,-0.2 -2,-0.2 0.910 106.1 57.9 -69.0 -39.7 14.6 -10.2 4.9 38 47 A A H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 109.9 45.0 -57.1 -33.5 11.6 -10.1 7.2 39 48 A K H 3< S+ 0 0 149 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.689 85.7 110.1 -85.5 -21.9 9.4 -10.2 4.2 40 49 A Y << - 0 0 46 -4,-1.0 4,-0.1 -3,-0.5 -37,-0.1 -0.390 63.6-145.2 -61.6 121.7 11.3 -13.0 2.4 41 50 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.170 70.3 73.6 -85.6 21.5 9.2 -16.1 2.4 42 51 A H S S- 0 0 107 -39,-0.0 2,-0.9 0, 0.0 -2,-0.0 -0.938 87.2-108.3-127.2 152.8 12.0 -18.7 2.7 43 52 A K - 0 0 136 -2,-0.3 -40,-0.1 1,-0.1 2,-0.0 -0.715 47.2-121.2 -79.5 108.3 14.2 -19.7 5.7 44 53 A I - 0 0 2 -2,-0.9 3,-0.1 1,-0.1 -1,-0.1 -0.248 32.1-178.4 -59.2 126.5 17.5 -18.3 4.6 45 54 A K + 0 0 129 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.530 62.6 12.1-103.3 -10.3 20.3 -20.9 4.3 46 55 A S > - 0 0 39 1,-0.1 4,-1.7 22,-0.0 -1,-0.2 -0.995 66.4-113.6-161.7 163.0 23.2 -18.7 3.3 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.863 116.9 57.2 -64.3 -38.6 24.6 -15.2 2.9 48 57 A A H > S+ 0 0 65 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.918 105.6 50.4 -58.9 -44.5 24.7 -15.6 -0.9 49 58 A E H >4 S+ 0 0 42 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.892 113.3 45.5 -61.2 -39.8 20.9 -16.4 -0.8 50 59 A A H >< S+ 0 0 0 -4,-1.7 3,-2.4 1,-0.2 6,-0.2 0.876 100.7 67.4 -72.4 -36.5 20.3 -13.2 1.2 51 60 A K H 3< S+ 0 0 101 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.697 86.9 70.3 -58.5 -17.7 22.5 -11.1 -1.0 52 61 A K T << S+ 0 0 176 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.748 83.4 88.0 -70.7 -18.9 20.0 -11.6 -3.8 53 62 A L S X S- 0 0 23 -3,-2.4 3,-1.7 -4,-0.2 2,-0.3 -0.577 92.4-105.0 -82.7 140.9 17.5 -9.4 -1.9 54 63 A P T 3 S+ 0 0 99 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.478 107.1 27.3 -68.4 126.5 17.7 -5.6 -2.5 55 64 A G T 3 S+ 0 0 35 -2,-0.3 2,-0.7 1,-0.2 -22,-0.3 0.116 94.8 105.6 109.2 -17.3 19.4 -3.8 0.5 56 65 A V < + 0 0 7 -3,-1.7 -1,-0.2 -6,-0.2 -26,-0.0 -0.847 51.4 177.6 -99.1 111.8 21.4 -6.8 1.5 57 66 A G > - 0 0 31 -2,-0.7 4,-1.9 -3,-0.1 5,-0.1 -0.068 45.1 -78.2-100.6-160.9 25.1 -6.3 0.5 58 67 A T H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.897 124.8 50.1 -67.0 -43.5 28.4 -8.1 0.8 59 68 A K H > S+ 0 0 143 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.892 113.4 45.1 -65.8 -40.2 29.0 -7.1 4.4 60 69 A I H > S+ 0 0 15 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.904 108.9 56.5 -72.1 -40.4 25.6 -8.3 5.6 61 70 A A H X S+ 0 0 8 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.924 107.7 49.8 -52.6 -47.4 25.9 -11.5 3.6 62 71 A E H X S+ 0 0 117 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.867 110.7 48.6 -58.3 -40.6 29.1 -12.2 5.5 63 72 A K H X S+ 0 0 28 -4,-1.5 4,-3.2 2,-0.2 -2,-0.2 0.901 109.4 53.0 -70.8 -37.5 27.4 -11.6 8.9 64 73 A I H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.911 107.4 51.6 -62.6 -40.3 24.5 -13.8 7.9 65 74 A D H X S+ 0 0 75 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.929 112.8 45.6 -62.8 -44.0 27.0 -16.6 7.1 66 75 A E H X S+ 0 0 37 -4,-2.0 4,-2.3 2,-0.2 6,-0.5 0.934 113.5 49.3 -62.5 -46.9 28.6 -16.2 10.5 67 76 A F H X S+ 0 0 45 -4,-3.2 4,-3.2 1,-0.2 -2,-0.2 0.944 112.4 47.4 -58.1 -48.5 25.2 -16.0 12.3 68 77 A L H < S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.887 114.6 46.7 -61.8 -39.0 23.9 -19.1 10.5 69 78 A A H < S+ 0 0 86 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.899 131.9 15.0 -69.5 -40.3 27.1 -21.1 11.3 70 79 A T H < S- 0 0 87 -4,-2.3 -2,-0.2 2,-0.3 -3,-0.2 0.654 89.5-122.5-113.8 -21.1 27.4 -20.2 14.9 71 80 A G S < S+ 0 0 46 -4,-3.2 2,-0.3 -5,-0.4 -4,-0.2 0.456 87.4 76.9 82.8 1.8 24.1 -18.7 16.1 72 81 A K - 0 0 126 -6,-0.5 2,-0.4 -5,-0.2 -2,-0.3 -0.869 69.8-137.7-136.8 169.6 26.2 -15.6 17.1 73 82 A L > - 0 0 6 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.961 10.7-154.9-129.7 113.9 27.9 -12.5 15.8 74 83 A R H > S+ 0 0 187 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.908 94.8 58.0 -52.0 -46.5 31.3 -11.7 17.3 75 84 A K H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 110.7 43.2 -52.7 -44.4 30.9 -8.0 16.5 76 85 A L H > S+ 0 0 6 -3,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.895 108.5 57.2 -70.6 -39.7 27.7 -7.9 18.5 77 86 A E H X S+ 0 0 67 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.938 110.1 47.2 -55.8 -44.4 29.2 -10.0 21.4 78 87 A K H >X S+ 0 0 115 -4,-2.7 3,-1.7 1,-0.2 4,-1.1 0.982 112.4 47.2 -56.1 -61.1 31.9 -7.4 21.6 79 88 A I H >< S+ 0 0 6 -4,-2.3 3,-0.6 1,-0.3 7,-0.3 0.861 107.9 57.3 -52.6 -40.0 29.5 -4.4 21.5 80 89 A R H 3< S+ 0 0 116 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.765 108.6 46.5 -62.0 -26.7 27.3 -6.1 24.2 81 90 A Q H << S+ 0 0 149 -3,-1.7 2,-0.4 -4,-1.0 -1,-0.2 0.614 88.2 101.8 -94.1 -15.5 30.2 -6.3 26.6 82 91 A D S+ 0 0 121 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.926 91.8 46.5 -68.0 -47.1 30.3 -0.5 28.9 84 93 A T H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.947 115.7 45.8 -61.1 -47.4 30.0 2.8 27.1 85 94 A S H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.939 114.6 47.5 -61.4 -46.4 28.1 1.3 24.1 86 95 A S H X S+ 0 0 46 -4,-2.3 4,-1.9 -7,-0.3 -1,-0.2 0.864 114.1 47.2 -63.9 -38.3 25.7 -0.7 26.4 87 96 A S H X S+ 0 0 20 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.903 112.4 48.9 -68.8 -43.8 25.1 2.4 28.6 88 97 A I H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.914 110.4 51.8 -63.9 -43.5 24.5 4.6 25.6 89 98 A N H < S+ 0 0 41 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.931 111.1 47.5 -59.3 -45.4 22.1 2.1 24.1 90 99 A F H >< S+ 0 0 52 -4,-1.9 3,-1.7 1,-0.2 4,-0.3 0.921 108.8 52.1 -65.1 -45.7 20.1 1.9 27.3 91 100 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.884 101.7 61.7 -57.8 -38.1 19.7 5.6 27.8 92 101 A T T 3< S+ 0 0 26 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.605 87.1 74.4 -66.6 -10.5 18.4 6.1 24.3 93 102 A R T < S+ 0 0 127 -3,-1.7 2,-0.4 -4,-0.4 -1,-0.3 0.681 78.6 88.5 -73.8 -16.4 15.4 3.8 25.2 94 103 A V S X S- 0 0 3 -3,-1.8 3,-2.0 -4,-0.3 37,-0.1 -0.710 94.1-109.2 -81.2 127.7 14.0 6.8 27.2 95 104 A S T 3 S+ 0 0 36 -2,-0.4 35,-0.4 1,-0.2 36,-0.2 -0.375 103.9 23.3 -61.2 127.0 11.8 9.0 25.0 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.8 -4,-0.2 -1,-0.2 0.126 96.6 103.1 103.4 -19.5 13.6 12.3 24.4 97 106 A I < + 0 0 5 -3,-2.0 -1,-0.2 -6,-0.2 -3,-0.1 -0.868 51.1 178.2 -96.5 110.5 17.1 11.0 25.1 98 107 A G > - 0 0 28 -2,-0.8 4,-2.8 -3,-0.1 5,-0.2 -0.303 49.1 -78.0 -97.7-172.7 18.9 10.6 21.7 99 108 A P H > S+ 0 0 28 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.858 129.7 49.7 -52.2 -40.9 22.4 9.5 20.8 100 109 A S H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.960 113.7 41.6 -66.5 -55.0 23.8 12.9 21.7 101 110 A A H > S+ 0 0 26 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.892 114.1 54.9 -61.7 -38.4 22.2 13.3 25.2 102 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.931 109.5 45.1 -61.0 -45.9 23.0 9.6 25.9 103 112 A R H X S+ 0 0 87 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.905 114.9 49.0 -66.9 -40.0 26.7 10.1 25.2 104 113 A K H X S+ 0 0 124 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.914 111.9 48.3 -63.6 -44.4 26.7 13.3 27.3 105 114 A F H ><>S+ 0 0 12 -4,-3.1 5,-2.5 1,-0.2 3,-0.8 0.950 110.2 51.1 -61.1 -48.7 24.9 11.7 30.2 106 115 A V H ><5S+ 0 0 9 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.826 106.9 56.5 -59.8 -29.6 27.3 8.7 30.2 107 116 A D H 3<5S+ 0 0 134 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.842 105.9 49.6 -65.9 -35.8 30.1 11.2 30.2 108 117 A E T <<5S- 0 0 78 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.281 125.5-100.0 -89.5 9.3 28.7 12.8 33.4 109 118 A G T < 5S+ 0 0 47 -3,-0.9 2,-0.7 1,-0.2 -3,-0.2 0.599 84.2 129.9 81.2 12.9 28.4 9.4 35.1 110 119 A I < + 0 0 4 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.888 19.5 130.0 -96.3 110.8 24.7 9.1 34.5 111 120 A K + 0 0 76 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.357 48.1 60.4-150.6 9.2 24.2 5.6 33.0 112 121 A T S > S- 0 0 61 1,-0.1 4,-2.1 -22,-0.1 5,-0.2 -0.897 82.8-106.0-134.1 169.7 21.5 3.6 34.7 113 122 A L H > S+ 0 0 41 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.926 123.1 50.4 -58.5 -46.4 17.8 3.9 35.3 114 123 A E H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.899 107.2 55.1 -59.9 -40.8 18.5 4.8 39.0 115 124 A D H 4 S+ 0 0 23 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.911 108.6 47.6 -58.1 -44.3 21.0 7.4 37.9 116 125 A L H >< S+ 0 0 1 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.903 108.2 55.2 -63.2 -41.7 18.4 9.1 35.7 117 126 A R H >< S+ 0 0 143 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.821 109.1 46.6 -66.2 -29.6 15.8 9.0 38.5 118 127 A K T 3< S+ 0 0 124 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.437 113.8 49.4 -94.1 1.2 18.1 10.9 40.9 119 128 A N T X + 0 0 40 -3,-1.2 3,-2.7 -4,-0.4 4,-0.3 -0.109 62.4 136.7-125.5 36.0 19.1 13.5 38.3 120 129 A E G X + 0 0 82 -3,-0.6 3,-2.4 1,-0.3 -1,-0.1 0.851 67.5 67.1 -48.0 -37.2 15.7 14.5 37.1 121 130 A D G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.619 93.7 59.2 -66.4 -7.4 16.8 18.1 37.2 122 131 A K G < S+ 0 0 100 -3,-2.7 2,-0.3 -6,-0.2 -1,-0.3 0.446 94.3 84.1 -95.9 -0.8 19.3 17.4 34.4 123 132 A L S < S- 0 0 19 -3,-2.4 2,-0.1 -4,-0.3 -26,-0.0 -0.783 75.1-128.1-103.4 146.3 16.5 16.3 32.0 124 133 A N > - 0 0 88 -2,-0.3 4,-2.5 -28,-0.1 5,-0.2 -0.248 41.6 -90.4 -79.3 176.5 14.3 18.5 29.8 125 134 A H H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 126.0 48.0 -59.8 -47.7 10.5 18.2 30.0 126 135 A H H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.942 115.2 45.7 -54.5 -51.8 10.2 15.5 27.2 127 136 A Q H > S+ 0 0 15 -31,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.829 108.6 57.0 -62.4 -36.6 13.0 13.4 28.8 128 137 A R H X S+ 0 0 123 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.912 111.8 41.8 -62.6 -44.4 11.4 13.9 32.3 129 138 A I H X S+ 0 0 11 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.885 110.6 56.6 -72.3 -40.1 8.1 12.4 31.1 130 139 A G H < S+ 0 0 1 -4,-2.7 -35,-0.2 -35,-0.4 -2,-0.2 0.900 110.9 45.1 -55.5 -38.9 9.9 9.7 29.1 131 140 A L H >< S+ 0 0 6 -4,-2.1 3,-1.9 2,-0.2 4,-0.4 0.954 107.5 57.7 -70.6 -47.1 11.6 8.6 32.3 132 141 A K H 3< S+ 0 0 131 -4,-2.2 3,-0.2 1,-0.3 -2,-0.2 0.878 120.1 29.3 -47.5 -45.7 8.4 8.8 34.3 133 142 A Y T 3X S+ 0 0 17 -4,-2.2 4,-2.9 1,-0.2 -1,-0.3 0.150 82.1 122.4-106.2 18.5 6.7 6.3 32.0 134 143 A F H <> S+ 0 0 22 -3,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.910 78.9 45.1 -48.1 -51.6 9.7 4.3 30.9 135 144 A G H >4 S+ 0 0 36 -4,-0.4 3,-1.2 -3,-0.2 4,-0.4 0.935 113.8 47.9 -58.9 -50.0 8.3 1.1 32.2 136 145 A D H >4 S+ 0 0 46 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.893 105.7 59.0 -59.8 -39.4 4.8 1.6 30.7 137 146 A F H 3< S+ 0 0 43 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.649 94.8 65.7 -69.7 -11.8 6.2 2.6 27.3 138 147 A E T << S+ 0 0 95 -3,-1.2 -1,-0.3 -4,-0.7 2,-0.2 0.692 88.1 87.8 -74.6 -22.3 7.9 -0.8 27.1 139 148 A K S < S- 0 0 105 -3,-1.8 2,-0.1 -4,-0.4 -3,-0.0 -0.558 73.7-134.4 -85.3 142.9 4.5 -2.4 26.9 140 149 A R - 0 0 143 -2,-0.2 40,-0.2 104,-0.1 -1,-0.1 -0.456 19.3-116.7 -89.0 166.5 2.6 -3.0 23.7 141 150 A I E -A 179 0A 0 38,-3.1 38,-2.4 -2,-0.1 40,-0.1 -0.910 20.3-131.9-111.1 119.0 -1.1 -2.3 23.1 142 151 A P E >> -A 178 0A 57 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.324 23.9-119.7 -61.4 150.4 -3.5 -5.1 22.3 143 152 A R H 3> S+ 0 0 58 34,-2.0 4,-2.6 1,-0.2 5,-0.2 0.882 114.0 61.8 -59.9 -36.7 -5.7 -4.2 19.4 144 153 A E H 3> S+ 0 0 138 33,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.873 105.9 46.8 -57.0 -37.1 -8.8 -4.6 21.7 145 154 A E H <> S+ 0 0 29 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.848 108.2 54.7 -72.8 -35.3 -7.4 -1.7 23.7 146 155 A M H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.885 106.7 52.3 -61.3 -38.4 -6.7 0.3 20.6 147 156 A L H X S+ 0 0 57 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.931 110.1 48.0 -64.1 -43.3 -10.3 -0.1 19.6 148 157 A Q H X S+ 0 0 77 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.865 113.8 46.9 -61.7 -39.5 -11.3 1.2 23.1 149 158 A M H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.887 108.1 56.4 -72.1 -37.5 -8.9 4.1 22.7 150 159 A Q H X S+ 0 0 45 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.899 105.4 51.6 -57.1 -43.5 -10.2 4.8 19.2 151 160 A D H X S+ 0 0 94 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.932 110.7 47.7 -62.6 -45.8 -13.8 5.1 20.5 152 161 A I H X S+ 0 0 39 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.946 115.6 43.5 -61.3 -52.5 -12.8 7.6 23.2 153 162 A V H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.956 116.7 46.7 -57.6 -50.5 -10.8 9.8 20.8 154 163 A L H X S+ 0 0 58 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.901 116.9 42.5 -63.3 -44.7 -13.4 9.7 18.0 155 164 A N H X S+ 0 0 74 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.2 0.890 115.4 49.1 -69.8 -38.3 -16.3 10.5 20.3 156 165 A E H X S+ 0 0 20 -4,-2.6 4,-1.0 -5,-0.3 -2,-0.2 0.918 109.8 52.1 -68.4 -42.3 -14.5 13.2 22.3 157 166 A V H >X S+ 0 0 5 -4,-2.9 4,-1.9 -5,-0.3 3,-1.1 0.929 106.4 54.5 -55.8 -44.7 -13.3 14.8 19.1 158 167 A K H 3< S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.862 103.1 57.6 -59.4 -34.4 -17.0 14.9 17.9 159 168 A K H 3< S+ 0 0 137 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.709 105.6 48.7 -72.7 -22.4 -18.0 16.7 21.1 160 169 A V H << S- 0 0 44 -3,-1.1 2,-0.3 -4,-1.0 -1,-0.2 0.915 138.8 -15.7 -78.0 -48.3 -15.6 19.6 20.5 161 170 A D >< - 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