==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 18-MAY-06 2H27 . COMPND 2 MOLECULE: 5'-D(*CP*CP*CP*GP*GP*AP*AP*CP*TP*TP*CP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR W.J.LANE,S.A.DARST . 140 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 79.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.9 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 0 0 1 1 0 0 2 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 115 0, 0.0 3,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 83.2 7.1 10.9 34.5 2 10 A H + 0 0 156 1,-0.2 2,-0.2 2,-0.1 3,-0.0 0.315 360.0 132.5 63.0 0.6 7.9 13.6 31.9 3 122 A M >> - 0 0 99 1,-0.1 4,-1.9 2,-0.0 3,-0.7 -0.575 66.9-115.5 -76.1 148.0 10.9 15.3 33.5 4 123 A L H 3> S+ 0 0 31 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.898 112.9 52.1 -52.4 -51.1 13.7 15.8 31.0 5 124 A S H 3> S+ 0 0 1 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.841 112.0 49.8 -56.9 -31.1 16.3 13.5 32.5 6 125 A E H <> S+ 0 0 33 -3,-0.7 4,-1.9 2,-0.2 -1,-0.3 0.848 106.1 53.9 -76.1 -34.8 13.6 10.8 32.6 7 126 A E H X S+ 0 0 90 -4,-1.9 4,-2.0 -3,-0.3 -2,-0.2 0.875 108.0 54.3 -64.1 -36.1 12.7 11.4 28.9 8 127 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.905 106.4 46.7 -67.9 -43.1 16.4 10.8 28.1 9 128 A R H X S+ 0 0 13 -4,-1.5 4,-2.1 1,-0.2 3,-0.2 0.945 113.7 49.4 -66.9 -42.0 16.8 7.5 29.8 10 129 A Q H X S+ 0 0 39 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.891 107.5 55.2 -61.6 -38.5 13.7 6.2 28.2 11 130 A I H X S+ 0 0 45 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.870 106.8 51.7 -61.4 -36.8 14.8 7.4 24.9 12 131 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.2 5,-0.2 0.969 113.6 41.9 -65.4 -51.7 18.0 5.4 25.3 13 132 A F H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.921 114.6 51.6 -59.7 -46.3 16.2 2.1 26.1 14 133 A R H X S+ 0 0 85 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.856 111.1 47.5 -61.2 -37.7 13.6 2.7 23.4 15 134 A T H < S+ 0 0 15 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.912 110.3 50.7 -73.6 -40.5 16.2 3.3 20.8 16 135 A I H >< S+ 0 0 2 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.959 109.1 54.8 -59.7 -44.1 18.3 0.2 21.7 17 136 A E H 3< S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.4 46.3 -56.1 -39.5 15.0 -1.7 21.5 18 137 A S T 3< S+ 0 0 95 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.362 88.3 112.5 -88.9 5.6 14.3 -0.6 17.9 19 138 A L S < S- 0 0 15 -3,-1.6 2,-0.1 -4,-0.5 39,-0.0 -0.321 83.2 -87.1 -73.8 161.6 17.8 -1.3 16.6 20 139 A P > - 0 0 82 0, 0.0 4,-2.9 0, 0.0 5,-0.3 -0.460 47.5-107.6 -66.3 141.9 18.4 -4.1 14.0 21 140 A E H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.797 118.4 50.3 -41.0 -46.6 19.1 -7.3 15.9 22 141 A D H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.984 115.0 42.2 -63.0 -52.1 22.8 -7.4 15.2 23 142 A L H > S+ 0 0 31 -3,-0.2 4,-2.4 1,-0.2 5,-0.3 0.900 115.2 51.1 -57.7 -43.0 23.3 -3.7 16.4 24 143 A R H X S+ 0 0 51 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.946 113.5 44.1 -60.3 -48.6 21.1 -4.2 19.4 25 144 A M H X S+ 0 0 62 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.902 113.0 51.1 -62.9 -45.1 22.9 -7.4 20.5 26 145 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 -5,-0.3 -1,-0.2 0.922 115.7 40.8 -61.6 -43.2 26.3 -5.9 19.9 27 146 A I H X S+ 0 0 1 -4,-2.4 4,-3.1 -5,-0.2 5,-0.4 0.885 115.9 51.7 -73.1 -37.0 25.6 -2.8 22.0 28 147 A T H X>S+ 0 0 21 -4,-2.7 4,-2.1 -5,-0.3 5,-1.4 0.921 109.2 48.1 -65.4 -44.2 23.7 -4.8 24.6 29 148 A L H <5S+ 0 0 16 -4,-2.9 6,-2.4 3,-0.2 -1,-0.2 0.854 118.2 43.2 -65.6 -33.2 26.6 -7.3 25.2 30 149 A R H <5S+ 0 0 84 -4,-1.3 4,-0.4 -5,-0.3 -2,-0.2 0.961 124.2 30.4 -76.3 -53.3 29.0 -4.5 25.4 31 150 A E H <5S+ 0 0 4 -4,-3.1 -3,-0.2 2,-0.1 -2,-0.2 0.856 131.6 27.9 -78.7 -39.5 27.1 -2.0 27.6 32 151 A L T <5S+ 0 0 16 -4,-2.1 -3,-0.2 -5,-0.4 -1,-0.1 0.830 130.7 35.3 -93.4 -34.3 25.0 -4.3 29.8 33 152 A D S - 0 0 43 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.446 29.0-109.4 -83.8 163.0 35.1 -7.1 25.4 37 156 A Y H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 120.8 55.0 -57.8 -43.3 35.1 -6.8 21.7 38 157 A E H > S+ 0 0 125 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.908 111.2 44.1 -53.7 -50.1 36.9 -10.1 21.4 39 158 A E H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.874 111.5 52.0 -65.2 -42.7 34.3 -11.9 23.5 40 159 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.866 106.9 54.5 -64.4 -36.9 31.4 -10.3 21.7 41 160 A A H <>S+ 0 0 10 -4,-2.4 5,-2.0 -5,-0.2 4,-0.3 0.821 109.3 47.9 -67.2 -31.5 32.9 -11.4 18.4 42 161 A A H ><5S+ 0 0 76 -4,-1.2 3,-1.0 3,-0.2 -2,-0.2 0.955 112.8 47.8 -72.1 -51.3 33.0 -15.0 19.6 43 162 A I H 3<5S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.900 121.1 37.0 -55.3 -44.2 29.4 -14.8 20.9 44 163 A M T 3<5S- 0 0 34 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.426 102.8-133.8 -90.6 1.4 28.2 -13.3 17.6 45 164 A D T < 5 + 0 0 150 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.926 65.4 113.9 45.6 59.7 30.6 -15.4 15.5 46 165 A C S > - 0 0 90 0, 0.0 3,-1.2 0, 0.0 4,-1.1 -0.360 38.6-123.6 -67.5 149.9 35.0 -10.5 12.9 48 167 A V H 3> S+ 0 0 38 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.813 111.9 65.0 -64.9 -25.8 35.9 -8.1 15.7 49 168 A G H 3> S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.799 99.7 51.5 -64.1 -28.6 36.0 -5.4 13.1 50 169 A T H <> S+ 0 0 43 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.784 107.1 53.0 -77.9 -28.5 32.2 -5.9 12.6 51 170 A V H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 5,-0.3 0.901 106.4 54.8 -70.0 -40.5 31.8 -5.6 16.3 52 171 A R H X S+ 0 0 137 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.949 114.2 37.5 -58.0 -52.4 33.6 -2.3 16.2 53 172 A S H X S+ 0 0 35 -4,-1.7 4,-3.7 2,-0.2 5,-0.2 0.907 114.6 54.6 -68.9 -42.5 31.3 -0.8 13.5 54 173 A R H X S+ 0 0 52 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.909 112.1 43.8 -57.5 -45.0 28.1 -2.3 14.9 55 174 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.917 115.3 49.9 -66.0 -41.6 28.8 -0.8 18.3 56 175 A F H X S+ 0 0 130 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.935 113.6 44.8 -60.5 -47.9 29.8 2.5 16.7 57 176 A R H X S+ 0 0 148 -4,-3.7 4,-1.7 2,-0.2 -1,-0.2 0.760 111.1 52.4 -70.7 -25.5 26.7 2.5 14.6 58 177 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.904 111.0 48.9 -74.7 -41.3 24.4 1.5 17.5 59 178 A R H X S+ 0 0 55 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.881 108.3 53.7 -62.4 -39.2 25.9 4.4 19.5 60 179 A E H X S+ 0 0 93 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.941 107.7 50.3 -60.7 -48.8 25.3 6.8 16.6 61 180 A A H X S+ 0 0 32 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.864 111.8 48.0 -59.2 -38.3 21.6 5.8 16.5 62 181 A I H >X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 3,-1.0 0.933 112.3 49.1 -68.9 -44.8 21.3 6.4 20.2 63 182 A D H 3X S+ 0 0 23 -4,-2.7 4,-2.9 1,-0.2 3,-0.2 0.836 103.3 59.5 -64.5 -33.6 23.0 9.8 20.0 64 183 A N H 3< S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.688 110.8 43.6 -69.7 -14.2 20.9 11.0 17.1 65 184 A K H << S+ 0 0 122 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.618 119.5 42.5-100.1 -18.7 17.8 10.5 19.3 66 185 A V H >X S+ 0 0 0 -4,-1.0 3,-1.9 -3,-0.2 4,-0.7 0.850 102.4 60.9 -96.2 -42.2 19.4 12.1 22.3 67 186 A Q G >< S+ 0 0 100 -4,-2.9 3,-0.7 1,-0.3 -3,-0.1 0.865 95.0 62.6 -58.1 -38.7 21.3 15.1 21.1 68 187 A P G 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.498 104.7 56.5 -66.3 5.2 18.2 16.8 19.7 69 188 A L G <4 S+ 0 0 46 -3,-1.9 2,-0.4 -61,-0.0 -2,-0.2 0.745 86.1 77.7-108.2 -29.2 17.2 16.8 23.4 70 189 A I << 0 0 13 -3,-0.7 5,-0.1 -4,-0.7 4,-0.1 -0.737 360.0 360.0 -94.7 135.6 19.8 18.5 25.4 71 190 A R 0 0 208 -2,-0.4 69,-0.0 69,-0.2 0, 0.0 0.491 360.0 360.0 31.7 360.0 20.0 22.3 25.5 72 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 122 D M > 0 0 145 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 145.8 29.8 15.4 23.5 74 123 D L H > + 0 0 43 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 360.0 53.9 -65.1 -48.5 26.8 15.4 25.9 75 124 D S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.862 107.4 57.0 -58.6 -31.4 24.6 12.7 24.5 76 125 D E H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.973 111.6 37.4 -64.6 -54.7 27.7 10.4 24.7 77 126 D E H X S+ 0 0 96 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.848 112.7 61.5 -67.4 -29.4 28.3 10.8 28.4 78 127 D L H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.964 109.7 39.3 -59.3 -51.7 24.5 10.9 29.0 79 128 D R H X S+ 0 0 13 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.920 114.4 54.7 -67.0 -40.2 24.2 7.3 27.6 80 129 D Q H X S+ 0 0 43 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.899 106.8 49.3 -62.9 -39.3 27.4 6.1 29.2 81 130 D I H X S+ 0 0 33 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.832 107.4 56.8 -70.9 -24.9 26.3 7.2 32.7 82 131 D V H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.2 5,-0.2 0.984 112.6 40.3 -64.6 -52.7 23.0 5.4 32.2 83 132 D F H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.903 114.9 52.8 -61.1 -42.3 24.7 2.2 31.4 84 133 D R H X S+ 0 0 88 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.883 110.6 47.1 -61.7 -39.4 27.3 2.7 34.2 85 134 D T H X S+ 0 0 13 -4,-2.2 4,-0.7 2,-0.2 3,-0.2 0.915 110.6 50.7 -71.0 -41.3 24.6 3.3 36.8 86 135 D I H >< S+ 0 0 2 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.961 109.6 52.7 -58.5 -47.5 22.6 0.3 35.8 87 136 D E H 3< S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.5 48.5 -57.3 -32.0 25.8 -1.7 36.1 88 137 D S H 3< S+ 0 0 94 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.472 88.5 109.4 -91.0 -2.1 26.4 -0.5 39.6 89 138 D L S << S- 0 0 18 -3,-1.5 2,-0.1 -4,-0.7 -3,-0.0 -0.234 85.0 -86.5 -68.7 162.4 22.9 -1.1 40.9 90 139 D P >> - 0 0 82 0, 0.0 4,-2.7 0, 0.0 3,-0.8 -0.466 48.1-105.6 -67.8 144.9 22.2 -3.9 43.4 91 140 D E H 3> S+ 0 0 142 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.807 117.9 48.4 -41.2 -47.2 21.6 -7.2 41.5 92 141 D D H 3> S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.886 114.0 44.7 -68.0 -38.2 17.9 -7.3 42.1 93 142 D L H <> S+ 0 0 30 -3,-0.8 4,-2.8 2,-0.2 5,-0.3 0.893 114.8 49.9 -70.3 -38.8 17.3 -3.7 40.9 94 143 D R H X S+ 0 0 66 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.949 114.1 44.5 -61.5 -50.8 19.6 -4.2 38.0 95 144 D M H X S+ 0 0 60 -4,-2.6 4,-3.3 -5,-0.3 5,-0.3 0.960 114.2 49.6 -56.5 -54.6 17.7 -7.4 37.0 96 145 D A H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.906 116.6 40.1 -55.6 -46.5 14.3 -5.8 37.5 97 146 D I H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 5,-0.4 0.836 116.4 51.4 -74.5 -31.6 15.1 -2.7 35.5 98 147 D T H X>S+ 0 0 21 -4,-2.7 4,-2.5 -5,-0.3 5,-1.5 0.945 109.0 48.8 -69.4 -47.4 17.0 -4.8 32.8 99 148 D L H <5S+ 0 0 15 -4,-3.3 6,-2.1 -5,-0.2 -1,-0.2 0.870 117.3 44.4 -60.4 -36.1 14.2 -7.3 32.3 100 149 D R H <5S+ 0 0 85 -4,-1.4 4,-0.3 -5,-0.3 -2,-0.2 0.978 125.6 27.0 -72.1 -56.7 11.7 -4.4 32.0 101 150 D E H <5S+ 0 0 3 -4,-2.6 -3,-0.2 3,-0.2 -2,-0.2 0.864 131.8 33.0 -77.9 -40.5 13.6 -2.1 29.7 102 151 D L T <5S+ 0 0 30 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.916 132.5 28.6 -84.4 -46.0 15.9 -4.5 27.8 103 152 D D S - 0 0 49 -2,-0.1 4,-2.5 1,-0.1 3,-0.4 -0.564 32.2-108.4 -86.1 151.4 5.5 -7.0 31.9 107 156 D Y H > S+ 0 0 57 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.857 121.8 51.9 -47.8 -40.4 5.6 -6.6 35.8 108 157 D E H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.922 110.3 48.2 -64.2 -41.9 3.8 -9.9 36.2 109 158 D E H > S+ 0 0 97 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.898 111.8 49.1 -64.5 -40.7 6.4 -11.6 33.9 110 159 D I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.867 109.7 52.6 -66.5 -37.1 9.3 -10.0 35.9 111 160 D A H X>S+ 0 0 9 -4,-2.2 5,-1.6 -5,-0.3 4,-0.7 0.883 109.8 48.3 -66.5 -39.5 7.7 -11.1 39.1 112 161 D A H ><5S+ 0 0 78 -4,-2.0 3,-0.7 2,-0.2 -2,-0.2 0.957 113.6 47.1 -64.7 -49.2 7.5 -14.7 37.9 113 162 D I H 3<5S+ 0 0 99 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.828 120.6 37.0 -61.1 -37.1 11.1 -14.7 36.7 114 163 D M H 3<5S- 0 0 35 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.408 103.9-131.4 -97.1 0.7 12.4 -13.2 39.9 115 164 D D T <<5 + 0 0 149 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.939 64.2 117.3 47.7 62.8 10.0 -15.1 42.1 116 165 D C S > - 0 0 89 0, 0.0 4,-0.9 0, 0.0 3,-0.8 -0.300 40.7-124.7 -62.0 153.6 5.7 -10.2 44.8 118 167 D V H 3> S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.848 112.2 62.6 -68.0 -30.7 4.7 -8.0 41.9 119 168 D G H 3> S+ 0 0 38 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.746 99.5 54.6 -64.9 -22.5 4.7 -5.0 44.3 120 169 D T H <> S+ 0 0 39 -3,-0.8 4,-2.1 2,-0.2 -1,-0.3 0.792 104.1 53.3 -79.6 -31.3 8.4 -5.7 44.8 121 170 D V H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.4 5,-0.3 0.908 107.4 54.4 -66.9 -40.8 8.9 -5.4 41.1 122 171 D R H X S+ 0 0 136 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.942 112.3 39.7 -57.6 -53.5 7.2 -2.1 41.3 123 172 D S H X S+ 0 0 36 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.855 114.3 54.1 -68.9 -35.4 9.5 -0.6 43.9 124 173 D R H X S+ 0 0 52 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.912 111.0 44.3 -65.6 -42.6 12.6 -2.1 42.5 125 174 D I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.939 115.0 50.0 -66.6 -43.8 12.0 -0.6 39.0 126 175 D F H X S+ 0 0 127 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.925 112.9 46.0 -57.7 -46.7 11.1 2.7 40.6 127 176 D R H X S+ 0 0 145 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.799 111.0 52.3 -66.6 -33.0 14.3 2.7 42.8 128 177 D A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.925 111.2 47.5 -70.9 -44.9 16.5 1.7 39.8 129 178 D R H X S+ 0 0 53 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.915 109.5 53.7 -60.6 -44.0 15.0 4.6 37.8 130 179 D E H X S+ 0 0 94 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.929 107.5 51.0 -55.6 -48.1 15.5 7.0 40.7 131 180 D A H X S+ 0 0 30 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.843 112.0 47.1 -61.6 -35.6 19.2 6.0 40.9 132 181 D I H >X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 3,-0.7 0.917 111.0 50.0 -74.2 -42.1 19.7 6.6 37.2 133 182 D D H 3X S+ 0 0 29 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.905 104.1 60.3 -61.2 -39.5 17.9 10.0 37.3 134 183 D N H 3< S+ 0 0 107 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.794 112.8 39.2 -56.1 -28.9 20.1 11.0 40.3 135 184 D K H << S+ 0 0 132 -3,-0.7 4,-0.4 -4,-0.7 -1,-0.2 0.722 116.6 49.0 -92.6 -28.0 23.0 10.5 38.0 136 185 D V H >X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.1 3,-0.7 0.855 100.6 61.8 -82.9 -37.6 21.5 12.0 34.8 137 186 D Q H >X S+ 0 0 84 -4,-2.9 4,-2.7 1,-0.2 3,-0.6 0.950 97.5 56.9 -54.2 -54.7 20.1 15.3 36.2 138 187 D P H 34 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.782 105.8 54.7 -46.3 -33.1 23.5 16.7 37.3 139 188 D L H <4 S+ 0 0 43 -3,-0.7 -2,-0.2 -4,-0.4 -3,-0.1 0.919 118.5 27.8 -70.4 -47.6 24.7 16.3 33.7 140 189 D I H << 0 0 18 -4,-1.4 -69,-0.2 -3,-0.6 -1,-0.2 0.646 360.0 360.0 -92.2 -17.2 21.9 18.3 31.9 141 190 D R < 0 0 195 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.0 -0.724 360.0 360.0-117.4 360.0 21.0 20.7 34.7