==== 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 7ICP . 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) . 17847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.8 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 . 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 . 17 5.2 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 . 125 38.2 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 2 1 1 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 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 0 219 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -6.5 67.2 58.1 57.0 2 10 A T + 0 0 119 37,-0.1 4,-0.1 3,-0.0 37,-0.0 0.155 360.0 76.2-179.6 2.1 67.1 59.2 60.7 3 11 A L S S+ 0 0 57 36,-0.1 42,-0.2 38,-0.1 4,-0.1 0.792 115.4 19.6 -95.0 -30.9 64.8 62.1 60.7 4 12 A N S > S+ 0 0 8 35,-0.2 4,-2.7 40,-0.1 5,-0.2 0.068 91.7 124.5-125.3 25.1 61.7 60.1 60.3 5 13 A G H >> S+ 0 0 23 2,-0.2 4,-2.8 1,-0.2 3,-0.5 0.941 71.8 42.4 -45.6 -84.3 63.2 56.8 61.6 6 14 A G H 3> S+ 0 0 37 1,-0.3 4,-3.5 2,-0.3 5,-0.3 0.762 115.1 55.4 -38.6 -36.4 60.9 55.7 64.5 7 15 A I H 3> S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.988 111.2 41.0 -64.8 -55.4 58.0 56.8 62.5 8 16 A T H S+ 0 0 38 -4,-2.7 4,-2.5 1,-0.2 5,-1.8 0.880 106.0 61.6 -59.3 -35.5 51.8 42.4 62.4 18 26 A E H <5S+ 0 0 8 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.938 113.5 36.4 -54.6 -47.1 48.9 43.0 60.0 19 27 A K H <5S+ 0 0 84 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.963 123.9 37.7 -67.8 -61.3 50.2 40.5 57.7 20 28 A N H <5S+ 0 0 23 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.806 129.4 25.5 -62.1 -44.0 51.6 37.8 60.1 21 29 A V T <5S+ 0 0 29 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.880 130.7 26.3 -93.4 -56.1 49.0 37.9 62.8 22 30 A S S + 0 0 27 1,-0.2 4,-3.1 -6,-0.2 5,-0.1 -0.039 12.7 162.4 -37.7 79.2 45.2 42.2 56.7 25 33 A I H > S+ 0 0 91 -2,-0.6 4,-4.2 2,-0.2 5,-0.2 0.891 76.6 49.3 -71.4 -42.8 47.3 42.4 53.6 26 34 A H H > S+ 0 0 155 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.951 117.4 43.0 -60.6 -46.7 45.7 45.6 52.5 27 35 A K H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.891 116.0 46.9 -62.5 -48.4 46.3 47.0 55.9 28 36 A Y H X S+ 0 0 31 -4,-3.1 4,-1.4 1,-0.3 -2,-0.2 0.978 111.9 49.9 -60.0 -51.9 49.7 45.6 56.0 29 37 A N H X S+ 0 0 75 -4,-4.2 4,-1.6 1,-0.2 -1,-0.3 0.793 106.0 61.3 -53.9 -30.4 50.4 46.8 52.5 30 38 A A H >X S+ 0 0 29 -4,-1.4 4,-1.9 -5,-0.2 3,-0.6 0.999 100.2 49.8 -62.6 -62.5 49.1 50.1 53.8 31 39 A Y H 3X S+ 0 0 12 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.714 110.1 57.6 -45.5 -30.0 51.8 50.6 56.6 32 40 A R H 3X S+ 0 0 148 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.906 103.4 41.9 -72.8 -51.5 54.3 49.8 54.0 33 41 A K H - 0 0 42 1,-0.2 4,-1.7 -3,-0.1 -1,-0.2 -0.993 69.3 -95.0-172.0 168.9 52.8 66.2 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 3,-1.5 0.976 118.3 46.1 -53.8 -68.6 50.1 64.0 61.9 49 57 A A H 3> S+ 0 0 66 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.819 106.6 61.0 -48.9 -34.2 48.5 66.4 59.5 50 58 A E H 34 S+ 0 0 41 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.900 111.9 38.8 -58.5 -41.8 51.9 67.3 58.2 51 59 A A H X< S+ 0 0 0 -4,-1.7 3,-5.3 -3,-1.5 -2,-0.2 0.921 102.1 68.8 -70.7 -49.0 52.3 63.7 57.2 52 60 A K H 3< S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.4 -2,-0.2 0.693 85.9 74.7 -37.9 -34.0 48.8 63.2 56.1 53 61 A K T 3< S+ 0 0 168 -4,-1.1 -1,-0.4 -5,-0.3 -2,-0.2 0.564 83.5 88.2 -56.7 -21.9 49.8 65.5 53.4 54 62 A L S X S- 0 0 33 -3,-5.3 3,-0.6 1,-0.1 2,-0.3 -0.506 90.0-104.0 -86.6 158.2 51.7 62.6 52.0 55 63 A P T 3 S+ 0 0 96 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.580 109.9 26.8 -77.9 133.8 50.3 60.1 49.6 56 64 A G T 3 S+ 0 0 30 1,-0.3 2,-0.7 -2,-0.3 -22,-0.2 0.058 100.3 109.0 96.9 -26.2 49.7 56.8 51.3 57 65 A V < + 0 0 10 -3,-0.6 -1,-0.3 -6,-0.2 2,-0.2 -0.713 44.2 156.6 -91.8 125.9 49.2 58.7 54.4 58 66 A G > - 0 0 25 -2,-0.7 4,-2.2 -3,-0.1 5,-0.2 -0.502 53.6 -67.2-126.1-164.2 45.7 58.8 55.5 59 67 A T H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.917 122.0 43.8 -54.8 -58.7 43.7 59.3 58.5 60 68 A K H > S+ 0 0 127 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.806 116.0 47.0 -62.3 -38.0 44.5 56.3 60.6 61 69 A I H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 112.8 49.3 -72.9 -42.1 48.1 56.4 60.0 62 70 A A H X S+ 0 0 7 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.929 105.4 60.1 -58.1 -42.4 48.3 60.0 60.7 63 71 A E H X S+ 0 0 119 -4,-2.5 4,-1.7 1,-0.3 -1,-0.2 0.886 107.9 44.3 -46.6 -48.7 46.3 59.3 63.8 64 72 A K H X S+ 0 0 33 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.871 106.9 56.7 -68.3 -44.5 49.1 57.1 64.9 65 73 A I H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.907 105.2 55.2 -57.6 -42.1 51.9 59.4 64.0 66 74 A D H X S+ 0 0 68 -4,-2.8 4,-4.8 1,-0.2 -1,-0.2 0.952 110.0 43.7 -54.2 -54.9 50.4 61.9 66.2 67 75 A E H X S+ 0 0 72 -4,-1.7 4,-3.1 1,-0.3 6,-0.3 0.854 114.4 49.3 -57.5 -43.5 50.3 59.7 69.2 68 76 A F H < S+ 0 0 60 -4,-2.8 -1,-0.3 2,-0.2 -2,-0.2 0.908 117.4 42.2 -64.5 -40.0 53.7 58.4 68.6 69 77 A L H < S+ 0 0 56 -4,-3.3 -2,-0.2 -5,-0.3 -3,-0.2 0.969 114.0 50.6 -69.4 -51.3 54.8 62.0 68.2 70 78 A A H < S+ 0 0 86 -4,-4.8 2,-0.3 -5,-0.2 -2,-0.2 0.911 126.8 15.3 -50.2 -49.8 52.8 63.2 71.1 71 79 A T S < S- 0 0 66 -4,-3.1 -1,-0.1 2,-0.4 0, 0.0 -0.898 83.3-106.2-128.6 158.7 54.2 60.4 73.4 72 80 A G S S+ 0 0 72 -2,-0.3 2,-0.3 2,-0.0 -4,-0.1 0.448 96.8 37.3 -61.9 1.0 57.1 58.0 73.3 73 81 A K - 0 0 85 -6,-0.3 -2,-0.4 -5,-0.0 2,-0.3 -0.805 68.2-127.6-142.6-174.1 54.9 55.1 72.5 74 82 A L > - 0 0 2 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 -0.983 16.9-143.4-139.5 120.4 51.8 53.8 70.8 75 83 A R H > S+ 0 0 178 -2,-0.3 4,-3.5 2,-0.2 5,-0.2 0.955 101.7 46.4 -50.0 -62.4 49.1 51.8 72.7 76 84 A K H > S+ 0 0 79 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.885 113.5 49.7 -46.5 -47.9 48.3 49.3 69.9 77 85 A L H > S+ 0 0 4 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.943 114.5 46.2 -59.8 -45.2 52.0 48.7 69.4 78 86 A E H < S+ 0 0 73 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.892 111.4 49.2 -65.7 -39.5 52.3 48.2 73.1 79 87 A K H >X S+ 0 0 134 -4,-3.5 4,-1.8 1,-0.2 3,-1.4 0.943 109.6 54.5 -63.9 -45.0 49.3 46.0 73.4 80 88 A I H 3< S+ 0 0 23 -4,-2.9 7,-0.2 1,-0.3 -2,-0.2 0.760 102.5 57.1 -58.8 -32.0 50.8 43.8 70.3 81 89 A R T 3< S+ 0 0 136 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.482 112.2 41.3 -81.0 -5.7 54.2 43.3 72.1 82 90 A Q T <4 S+ 0 0 146 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.1 0.850 85.2 101.2-100.0 -56.8 52.5 41.7 75.1 83 91 A D X - 0 0 70 -4,-1.8 4,-2.0 1,-0.1 3,-0.4 -0.090 61.9-152.2 -35.8 108.3 49.8 39.5 73.5 84 92 A D H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 90.7 59.8 -57.8 -45.1 51.3 36.1 73.6 85 93 A T H > S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.869 108.2 46.5 -50.9 -38.4 49.4 34.9 70.5 86 94 A S H >> S+ 0 0 3 -3,-0.4 4,-1.3 1,-0.2 3,-0.7 0.997 110.2 52.5 -64.8 -56.6 51.1 37.6 68.6 87 95 A S H 3X S+ 0 0 49 -4,-2.0 4,-1.4 1,-0.3 -2,-0.2 0.775 105.7 55.0 -45.2 -42.7 54.4 36.7 70.0 88 96 A S H 3X S+ 0 0 14 -4,-2.7 4,-4.1 1,-0.3 5,-0.4 0.893 100.4 55.8 -63.9 -44.1 54.1 33.1 69.1 89 97 A I H < S+ 0 0 66 -4,-1.4 3,-2.7 -3,-0.2 4,-0.4 0.938 112.3 53.1 -77.2 -59.0 58.5 32.8 67.2 92 100 A L H >< S+ 0 0 0 -4,-4.1 3,-1.5 1,-0.3 -3,-0.2 0.869 103.5 62.1 -49.1 -36.0 57.0 29.8 65.5 93 101 A T T 3< S+ 0 0 46 -4,-1.0 -1,-0.3 -5,-0.4 5,-0.2 0.775 84.5 79.0 -62.4 -25.6 57.9 31.5 62.2 94 102 A R T < S+ 0 0 114 -3,-2.7 2,-0.3 -4,-0.2 -1,-0.3 0.757 74.8 93.5 -54.8 -26.6 61.5 31.3 63.2 95 103 A V S X S- 0 0 2 -3,-1.5 3,-2.4 -4,-0.4 2,-0.1 -0.600 87.6-116.1 -77.8 130.2 61.5 27.8 62.2 96 104 A S T 3 S+ 0 0 39 -2,-0.3 35,-0.2 1,-0.3 36,-0.1 -0.496 107.5 26.8 -62.2 134.0 62.6 27.1 58.7 97 105 A G T 3 S+ 0 0 31 -2,-0.1 2,-1.0 -4,-0.1 -1,-0.3 -0.008 99.0 103.3 95.9 -21.9 59.6 25.6 57.0 98 106 A I < + 0 0 5 -3,-2.4 -3,-0.1 -5,-0.2 -1,-0.1 -0.762 46.5 174.5 -97.8 101.3 57.2 27.4 59.3 99 107 A G > - 0 0 30 -2,-1.0 4,-2.4 -3,-0.1 -4,-0.1 -0.244 48.8 -90.4 -87.0-171.8 55.6 30.3 57.6 100 108 A P H > S+ 0 0 44 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.840 122.0 59.4 -64.3 -43.8 52.9 32.5 59.2 101 109 A S H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 3,-0.1 0.954 113.2 38.4 -49.2 -59.4 50.1 30.4 57.9 102 110 A A H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.899 108.9 62.2 -59.6 -47.4 51.3 27.5 59.6 103 111 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.892 105.3 50.0 -50.2 -41.2 52.4 29.5 62.7 104 112 A R H X S+ 0 0 52 -4,-2.9 4,-1.9 2,-0.2 3,-0.3 0.956 107.4 51.9 -61.1 -53.3 48.7 30.4 63.1 105 113 A K H >X S+ 0 0 98 -4,-1.8 4,-1.7 1,-0.2 3,-1.1 0.955 110.8 47.5 -48.0 -61.6 47.4 26.8 62.9 106 114 A F H 3X>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.3 4,-2.1 0.808 111.3 52.6 -51.0 -33.3 49.8 25.5 65.6 107 115 A V H 3<5S+ 0 0 5 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.838 106.7 49.3 -75.7 -30.8 48.9 28.3 67.8 108 116 A D H <<5S+ 0 0 127 -4,-1.9 -1,-0.2 -3,-1.1 -2,-0.2 0.727 113.2 51.6 -78.9 -18.8 45.4 27.7 67.6 109 117 A E H <5S- 0 0 108 -4,-1.7 -2,-0.3 -5,-0.3 -1,-0.2 0.810 123.0-104.4 -86.9 -25.4 46.3 24.3 68.3 110 118 A G T <5S+ 0 0 36 -4,-2.1 2,-0.8 1,-0.5 3,-0.3 0.232 79.1 127.0 127.1 -17.8 48.4 25.1 71.4 111 119 A I < + 0 0 7 -5,-2.2 -1,-0.5 1,-0.2 -2,-0.2 -0.730 18.6 139.3 -78.8 114.6 51.8 24.7 70.0 112 120 A K + 0 0 64 -2,-0.8 2,-0.2 -3,-0.1 -1,-0.2 0.336 55.5 50.5-131.6 -23.1 53.4 27.8 70.9 113 121 A T S > S- 0 0 64 -3,-0.3 4,-1.8 1,-0.1 5,-0.0 -0.639 87.0-102.2-119.2-178.2 56.8 26.8 71.9 114 122 A L H > S+ 0 0 38 2,-0.2 4,-2.7 -2,-0.2 -1,-0.1 0.848 123.5 49.2 -65.6 -40.1 59.7 24.7 70.7 115 123 A E H > S+ 0 0 122 2,-0.3 4,-3.2 1,-0.2 5,-0.5 0.966 105.8 57.5 -62.7 -47.1 58.8 21.9 73.0 116 124 A D H > S+ 0 0 44 1,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.906 108.7 48.8 -45.4 -44.9 55.3 22.2 71.7 117 125 A L H >< S+ 0 0 0 -4,-1.8 3,-0.8 2,-0.2 -1,-0.3 0.953 109.5 48.7 -63.9 -51.8 56.9 21.6 68.5 118 126 A R H >< S+ 0 0 120 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.939 110.9 50.2 -54.7 -52.5 58.9 18.6 69.6 119 127 A K H 3< S+ 0 0 151 -4,-3.2 -1,-0.3 1,-0.3 3,-0.2 0.682 114.2 47.7 -58.3 -22.2 56.0 16.8 71.2 120 128 A N T XX + 0 0 43 -4,-1.0 3,-1.6 -3,-0.8 4,-0.7 0.050 65.2 138.0-113.6 32.1 54.1 17.4 68.1 121 129 A E T <4 + 0 0 95 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.574 65.4 68.6 -48.6 -14.6 56.6 16.2 65.7 122 130 A D T 34 S+ 0 0 112 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.916 93.0 54.4 -72.2 -47.3 53.8 14.5 63.9 123 131 A K T <4 S+ 0 0 96 -3,-1.6 2,-0.3 -6,-0.1 -1,-0.2 0.653 95.0 87.3 -63.1 -15.5 52.1 17.7 62.7 124 132 A L S < S- 0 0 4 -4,-0.7 2,-0.1 -7,-0.2 -26,-0.0 -0.604 72.1-137.0 -89.6 150.7 55.3 18.9 61.1 125 133 A N > - 0 0 83 -2,-0.3 4,-1.6 -28,-0.1 5,-0.1 -0.280 38.4 -84.8 -89.9-176.9 56.3 18.1 57.6 126 134 A H H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.924 127.4 42.9 -54.1 -54.1 59.8 17.1 56.5 127 135 A H H > S+ 0 0 37 1,-0.3 4,-3.3 2,-0.2 3,-0.3 0.978 112.9 53.2 -56.9 -56.1 61.2 20.5 56.0 128 136 A Q H > S+ 0 0 14 1,-0.3 4,-1.8 -31,-0.2 -1,-0.3 0.757 108.5 54.1 -46.6 -32.8 59.6 21.7 59.2 129 137 A R H X S+ 0 0 99 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.3 0.943 108.1 43.7 -70.2 -51.9 61.3 18.9 60.9 130 138 A I H X S+ 0 0 9 -4,-2.2 4,-3.0 -3,-0.3 -2,-0.2 0.921 110.9 59.5 -58.4 -42.5 64.7 19.5 59.8 131 139 A G H < S+ 0 0 1 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.896 108.4 43.9 -49.2 -48.9 64.0 23.1 60.6 132 140 A L H >< S+ 0 0 11 -4,-1.8 3,-1.0 -5,-0.2 -1,-0.3 0.872 110.9 53.0 -68.5 -38.2 63.3 22.1 64.1 133 141 A K H 3< S+ 0 0 137 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.872 118.6 36.1 -69.0 -33.6 66.2 19.8 64.5 134 142 A Y T 3X S+ 0 0 15 -4,-3.0 4,-3.5 -5,-0.2 -1,-0.2 0.108 78.2 125.4-108.1 28.1 68.6 22.4 63.4 135 143 A F H <> S+ 0 0 20 -3,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.911 79.6 39.0 -47.1 -60.2 67.0 25.5 64.9 136 144 A G H >> S+ 0 0 40 -4,-0.2 3,-1.7 2,-0.2 4,-0.8 0.986 119.8 46.4 -56.7 -63.4 69.9 26.8 66.8 137 145 A D H >4 S+ 0 0 33 1,-0.3 3,-1.0 2,-0.2 -2,-0.2 0.853 108.5 59.2 -44.7 -44.9 72.5 25.9 64.0 138 146 A F H 3< S+ 0 0 38 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.838 104.9 47.2 -57.2 -36.4 70.2 27.4 61.6 139 147 A E H << S+ 0 0 93 -3,-1.7 -1,-0.3 -4,-1.4 2,-0.3 0.552 88.7 103.8 -83.0 -11.8 70.3 30.7 63.2 140 148 A K S << S- 0 0 101 -3,-1.0 -3,-0.0 -4,-0.8 -4,-0.0 -0.520 74.4-122.2 -72.8 131.9 74.1 30.8 63.6 141 149 A R - 0 0 152 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.307 23.8-117.3 -68.7 158.7 75.9 33.0 61.2 142 150 A I E -A 180 0A 0 38,-5.4 38,-4.4 40,-0.1 2,-0.3 -0.889 21.6-144.9-104.0 114.9 78.5 31.4 58.9 143 151 A P E >> -A 179 0A 38 0, 0.0 3,-2.4 0, 0.0 4,-1.3 -0.561 18.3-126.1 -73.7 134.6 82.0 32.8 59.4 144 152 A R H 3> S+ 0 0 63 34,-2.1 4,-2.2 1,-0.3 5,-0.2 0.701 105.8 74.1 -54.3 -23.0 84.0 32.9 56.1 145 153 A E H 3> S+ 0 0 117 33,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.828 107.5 34.4 -59.9 -29.1 86.7 31.0 57.7 146 154 A E H <> S+ 0 0 29 -3,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.738 109.7 66.7 -89.1 -34.4 84.3 28.0 57.3 147 155 A M H X S+ 0 0 2 -4,-1.3 4,-3.4 1,-0.2 5,-0.2 0.867 100.5 49.4 -52.5 -45.3 82.9 29.3 54.1 148 156 A L H X S+ 0 0 77 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.880 109.2 51.8 -65.1 -43.6 86.3 28.8 52.4 149 157 A Q H X S+ 0 0 63 -4,-0.6 4,-2.5 -5,-0.2 -2,-0.2 0.948 115.2 43.4 -58.4 -47.9 86.5 25.2 53.7 150 158 A M H X S+ 0 0 2 -4,-2.7 4,-3.2 1,-0.3 5,-0.2 0.943 113.8 48.4 -57.4 -55.5 83.0 24.6 52.3 151 159 A Q H X S+ 0 0 57 -4,-3.4 4,-1.9 2,-0.2 -1,-0.3 0.857 108.8 58.2 -57.0 -35.5 83.7 26.3 49.2 152 160 A D H X S+ 0 0 85 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.997 110.6 38.5 -58.5 -62.1 86.7 24.3 49.0 153 161 A I H >X S+ 0 0 39 -4,-2.5 4,-2.2 2,-0.2 3,-0.6 0.905 112.5 56.6 -54.0 -52.3 85.1 21.0 49.1 154 162 A V H 3X S+ 0 0 1 -4,-3.2 4,-2.3 1,-0.3 5,-0.3 0.946 109.4 45.4 -48.9 -56.9 82.1 21.9 47.0 155 163 A L H 3X S+ 0 0 59 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.3 0.747 110.8 53.6 -61.7 -27.6 84.3 22.9 44.1 156 164 A N H < S+ 0 0 131 -4,-0.9 3,-0.5 -5,-0.3 -2,-0.2 0.915 105.0 52.9 -67.4 -46.2 85.0 19.1 39.5 160 168 A K H 3< S+ 0 0 125 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.881 105.9 52.9 -56.5 -44.4 85.5 15.4 39.9 161 169 A V H 3< S- 0 0 44 -4,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.751 132.7 -8.1 -63.9 -28.8 82.1 14.5 38.7 162 170 A D X< - 0 0 46 -4,-1.0 3,-0.7 -3,-0.5 -1,-0.3 -0.840 51.9-146.6-172.8 133.8 82.6 16.5 35.5 163 171 A S T 3 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.669 97.7 63.6 -76.2 -23.2 85.3 18.9 34.4 164 172 A E T 3 S+ 0 0 111 2,-0.1 2,-0.3 -5,-0.1 -1,-0.2 0.330 75.8 117.2 -81.2 -0.9 82.9 21.1 32.4 165 173 A Y < - 0 0 19 -3,-0.7 2,-0.5 -7,-0.2 24,-0.2 -0.564 49.4-161.4 -74.7 136.8 81.1 22.0 35.5 166 174 A I E +B 188 0B 50 22,-1.9 22,-1.6 -2,-0.3 2,-0.4 -0.957 15.8 175.8-123.1 107.6 81.2 25.7 36.4 167 175 A A E -B 187 0B 20 -2,-0.5 2,-0.3 20,-0.2 20,-0.2 -0.914 5.8-178.9-118.0 146.3 80.3 26.4 40.0 168 176 A T E -B 186 0B 31 18,-1.5 18,-3.0 -2,-0.4 2,-0.9 -0.985 23.9-140.1-149.5 133.0 80.3 29.6 41.8 169 177 A V E +B 185 0B 10 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.823 32.5 174.1 -98.4 102.1 79.6 30.8 45.3 170 178 A C + 0 0 2 14,-1.5 14,-0.4 -2,-0.9 3,-0.3 0.079 30.2 86.6 -84.2-162.4 77.8 34.0 45.1 171 179 A G S > S- 0 0 17 1,-0.2 3,-0.5 2,-0.2 4,-0.5 -0.585 104.7 -51.0 97.9-167.0 76.3 35.8 48.0 172 180 A S G > S+ 0 0 30 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.751 132.6 72.6 -74.5 -31.6 78.1 38.3 50.2 173 181 A F G 3 S+ 0 0 12 -3,-0.3 3,-0.5 1,-0.3 -1,-0.2 0.764 99.7 46.9 -50.8 -30.9 80.7 35.7 50.5 174 182 A R G < S+ 0 0 53 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.726 107.8 55.4 -79.3 -35.6 81.5 36.7 47.0 175 183 A R S < S- 0 0 64 -3,-0.6 2,-0.8 -4,-0.5 -2,-0.2 0.045 128.0 -92.1 -88.6 21.4 81.4 40.5 47.8 176 184 A G + 0 0 33 -3,-0.5 147,-0.1 1,-0.2 -3,-0.1 -0.624 67.1 167.1 105.3 -71.9 84.1 40.1 50.6 177 185 A A - 0 0 30 -2,-0.8 -1,-0.2 1,-0.1 3,-0.1 0.792 38.9-138.7 22.4 126.6 81.8 39.5 53.6 178 186 A E S S+ 0 0 147 1,-0.2 -34,-2.1 -35,-0.1 -33,-0.3 0.604 85.2 5.4 -79.8 -10.3 83.2 38.2 56.9 179 187 A S E -A 143 0A 36 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.962 64.0-160.6-167.3 151.4 80.3 35.9 57.4 180 188 A S E -A 142 0A 2 -38,-4.4 -38,-5.4 -2,-0.3 3,-0.1 -0.784 19.4-136.5-132.0 177.3 77.2 34.7 55.7 181 189 A G S S+ 0 0 27 -2,-0.3 65,-0.4 -40,-0.2 2,-0.2 0.828 82.9 5.8 -97.2 -47.3 74.0 33.1 56.6 182 190 A D S S- 0 0 88 63,-0.1 2,-0.5 -40,-0.1 -1,-0.2 -0.751 74.2-112.6-130.1 171.1 73.5 30.4 53.9 183 191 A M E - c 0 247B 1 63,-1.6 65,-2.8 -2,-0.2 2,-0.6 -0.953 27.9-168.1-117.2 116.5 75.6 29.0 51.1 184 192 A D E - c 0 248B 23 -2,-0.5 -14,-1.5 -14,-0.4 2,-0.4 -0.901 1.3-170.6-112.7 112.8 74.5 29.6 47.4 185 193 A V E -Bc 169 249B 2 63,-3.1 65,-1.5 -2,-0.6 2,-0.6 -0.759 9.2-153.2 -97.3 132.6 76.1 27.9 44.7 186 194 A L E -Bc 168 250B 3 -18,-3.0 -18,-1.5 -2,-0.4 2,-0.4 -0.917 20.3-170.4-104.3 124.2 75.3 28.8 41.0 187 195 A L E +Bc 167 251B 1 63,-3.9 65,-3.1 -2,-0.6 2,-0.3 -0.972 17.8 154.1-130.4 141.2 75.8 26.1 38.6 188 196 A T E -B 166 0B 0 -22,-1.6 -22,-1.9 -2,-0.4 5,-0.1 -0.818 18.6-158.2-143.4 173.2 75.8 25.7 34.9 189 197 A H > - 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