






                                            TABLE








                 Cartesian and cylindrical polar coordinates of atoms in a            

              nucleotide in A-DNA.  The coordinates of the diadically related         

              nucleotide in the antiparallel chain are given by r, -phi, -z.          

              Successive nucleotides can be generated by adding multiples of          

              32.7 degrees to phi and the same multiple of 0.2548 nm to z.            
1




            --------------------------------------------------------------------
             Group      Atom      x(nm)     y(nm)     z(nm)     r(nm)   phi(deg)
            --------------------------------------------------------------------


            PHOSPHATE   P        0.3062    0.8026   -0.4135    0.8590     69.11
                        O1       0.3224    0.8856   -0.5350    0.9424     70.00
                        O2       0.1891    0.7121   -0.4118    0.7368     75.13
                        O3       0.3033    0.8968   -0.2842    0.9467     71.31
                        O5       0.4397    0.7181   -0.3881    0.8420     58.52


            SUGAR       C1       0.6874    0.4999   -0.1877    0.8500     36.03
                        C2       0.7567    0.4725   -0.3208    0.8921     31.99
                        C3       0.6776    0.5642   -0.4140    0.8817     39.78
                        C4       0.6719    0.6889   -0.3258    0.9623     45.72
                        C5       0.5621    0.7881   -0.3587    0.9680     54.50
                        O4       0.6486    0.6363   -0.1919    0.9086     44.45
                        H1       0.7582    0.4850   -0.1062    0.9000     32.61
                        H12      0.7408    0.3687   -0.3499    0.8275     26.46
                        H22      0.8603    0.5059   -0.3163    0.9981     30.46
                        H3       0.5766    0.5269   -0.4309    0.7811     42.42
                        H4       0.7684    0.7395   -0.3281    1.0665     43.90
                        H15      0.5916    0.8477   -0.4450    1.0337     55.09
                        H25      0.5464    0.8545   -0.2736    1.0143     57.40


            CYTOSINE    N1       0.5666    0.4158   -0.1647    0.7028     36.27
                        C2       0.5852    0.2891   -0.1100    0.6528     26.29
                        O2       0.7001    0.2520   -0.0831    0.7441     19.80
                        N3       0.4764    0.2108   -0.0883    0.5210     23.87
                        C4       0.3536    0.2547   -0.1188    0.4358     35.76
                        N4       0.2508    0.1746   -0.0956    0.3056     34.84
                        C5       0.3323    0.3847   -0.1751    0.5084     49.18
                        C6       0.4423    0.4613   -0.1961    0.6391     46.20
                        H14      0.2659    0.0839   -0.0563    0.2788     17.51
                        H24      0.1535    0.1908   -0.1121    0.2448     51.18
                        H5       0.2406    0.4174   -0.1979    0.4818     60.04
                        H6       0.4319    0.5527   -0.2352    0.7015     52.00


            THYMINE     N1       0.5666    0.4158   -0.1647    0.7028     36.27
                        C2       0.5867    0.2910   -0.1107    0.6549     26.39
                        O2       0.6971    0.2483   -0.0819    0.7400     19.60
                        N3       0.4725    0.2160   -0.0908    0.5195     24.57
                        C4       0.3431    0.2544   -0.1197    0.4271     36.55
                        O4       0.2487    0.1784   -0.0974    0.3060     35.65
                        C5       0.3322    0.3869   -0.1760    0.5100     49.35
                        ME       0.1949    0.4366   -0.2104    0.4781     65.94
                        C6       0.4416    0.4620   -0.1964    0.6392     46.30
                        H3       0.4847    0.1248   -0.0516    0.5005     14.44
                        H6       0.4317    0.5535   -0.2356    0.7020     52.05
                        H1ME     0.1274    0.3664   -0.1879    0.3879     70.83
                        H2ME     0.1903    0.4570   -0.3082    0.4951     67.39
                        H3ME     0.1754    0.5196   -0.1581    0.5484     71.35


            ADENINE     N1       0.5133    0.0481   -0.0167    0.5156      5.35
                        C2       0.6356    0.1001   -0.0262    0.6434      8.95
                        N3       0.6725    0.2178   -0.0716    0.7069     17.95
                        C4       0.5654    0.2893   -0.1121    0.6352     27.09
                        C5       0.4349    0.2497   -0.1086    0.5014     29.86
                        C6       0.4082    0.1215   -0.0578    0.4259     16.57
                        N6       0.2849    0.0697   -0.0485    0.2933     13.75
                        N7       0.3525    0.3496   -0.1584    0.4964     44.77
                        C8       0.4345    0.4450   -0.1900    0.6219     45.68
                        N9       0.5666    0.4158   -0.1647    0.7028     36.27
                        H2       0.7098    0.0412    0.0057    0.7110      3.32
                        H16      0.2059    0.1231   -0.0786    0.2399     30.88
                        H26      0.2719   -0.0222   -0.0115    0.2728     -4.68
                        H8       0.4045    0.5319   -0.2293    0.6683     52.75


            GUANINE     N1       0.5186    0.0505   -0.0172    0.5210      5.56
                        C2       0.6475    0.0995   -0.0248    0.6550      8.74
                        N2       0.7438    0.0180    0.0188    0.7440      1.39
                        N3       0.6771    0.2203   -0.0722    0.7120     18.02
                        C4       0.5664    0.2886   -0.1117    0.6357     27.00
                        C5       0.4350    0.2482   -0.1079    0.5009     29.71
                        C6       0.4033    0.1194   -0.0574    0.4206     16.50
                        O6       0.2933    0.0661   -0.0462    0.3006     12.71
                        N7       0.3516    0.3481   -0.1579    0.4947     44.71
                        C8       0.4342    0.4446   -0.1899    0.6215     45.68
                        N9       0.5666    0.4158   -0.1647    0.7028     36.27
                        H1       0.5065   -0.0416    0.0200    0.5082     -4.69
                        H12      0.7205   -0.0726    0.0542    0.7241     -5.75
                        H22      0.8393    0.0475    0.0160    0.8407      3.24
                        H8       0.4039    0.5315   -0.2292    0.6676     52.77


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