






                                            TABLE








                 Cartesian and cylindrical polar coordinates of atoms in a            

              nucleotide in B-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          

              36.0 degrees to phi and the same multiple of 0.3375 nm to z.            
1




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


             PHOSPHATE  P       -0.0356    0.9218    0.1848    0.9225     92.21
                        O1      -0.0311    1.0489    0.2605    1.0494     91.70
                        O2      -0.1335    0.9156    0.0740    0.9253     98.29
                        O3      -0.0611    0.8002    0.2857    0.8025     94.36
                        O5       0.1104    0.8870    0.1295    0.8938     82.90


             SUGAR      C1       0.1914    0.5344    0.0016    0.5676     70.30
                        C2       0.1848    0.6597   -0.0850    0.6852     74.35
                        C3       0.2952    0.7370   -0.0127    0.7939     68.17
                        C4       0.2726    0.7072    0.1355    0.7579     68.92
                        C5       0.2021    0.8156    0.2146    0.8403     76.08
                        O4       0.1986    0.5817    0.1352    0.6147     71.15
                        H1       0.2805    0.4771   -0.0241    0.5534     59.55
                        H12      0.0899    0.7118   -0.0724    0.7175     82.80
                        H22      0.2159    0.6391   -0.1874    0.6746     71.33
                        H3       0.2953    0.8448   -0.0285    0.8950     70.73
                        H4       0.3679    0.6837    0.1828    0.7765     61.71
                        H15      0.2759    0.8850    0.2548    0.9270     72.68
                        H25      0.1473    0.7705    0.2973    0.7844     79.17


             ADENINE    N1       0.0158    0.0514    0.0016    0.0538     72.91
                        C2       0.1380    0.1027    0.0154    0.1720     36.66
                        N3       0.1758    0.2286    0.0143    0.2884     52.44
                        C4       0.0700    0.3103   -0.0037    0.3181     77.29
                        C5      -0.0604    0.2727   -0.0192    0.2794    102.48
                        C6      -0.0881    0.1351   -0.0162    0.1613    123.10
                        N6      -0.2113    0.0841   -0.0301    0.2274    158.29
                        N7      -0.1415    0.3842   -0.0354    0.4095    110.21
                        C8      -0.0590    0.4841   -0.0292    0.4877     96.94
                        N9       0.0711    0.4472   -0.0101    0.4528     80.96
                        H2       0.2113    0.0360    0.0284    0.2144      9.66
                        H16     -0.2251   -0.0149   -0.0272    0.2256   -176.22
                        H26     -0.2894    0.1451   -0.0435    0.3238    153.38
                        H8      -0.0879    0.5795   -0.0377    0.5861     98.63


             GUANINE    N1       0.0233    0.0534    0.0025    0.0582     66.43
                        C2       0.1516    0.1023    0.0172    0.1829     34.01
                        N2       0.2475    0.0110    0.0344    0.2478      2.56
                        N3       0.1811    0.2321    0.0149    0.2944     52.04
                        C4       0.0709    0.3095   -0.0035    0.3175     77.09
                        C5      -0.0599    0.2700   -0.0190    0.2766    102.50
                        C6      -0.0914    0.1317   -0.0165    0.1603    124.77
                        O6      -0.2010    0.0775   -0.0284    0.2154    158.91
                        N7      -0.1429    0.3808   -0.0354    0.4067    110.58
                        C8      -0.0606    0.4826   -0.0294    0.4864     97.16
                        N9       0.0711    0.4472   -0.0101    0.4528     80.96
                        H1       0.0113   -0.0458    0.0057    0.0472    -76.20
                        H12      0.2243   -0.0862    0.0360    0.2403    -21.02
                        H22      0.3426    0.0399    0.0456    0.3449      6.65
                        H8      -0.0908    0.5776   -0.0380    0.5847     98.93


             THYMINE    N1       0.0711    0.4472   -0.0101    0.4528     80.96
                        C2       0.0911    0.3115   -0.0009    0.3246     73.70
                        O2       0.2010    0.2618    0.0161    0.3300     52.47
                        N3      -0.0226    0.2339   -0.0123    0.2350     95.52
                        C4      -0.1514    0.2797   -0.0316    0.3180    118.42
                        O4      -0.2454    0.2004   -0.0403    0.3168    140.76
                        C5      -0.1622    0.4234   -0.0400    0.4534    110.96
                        ME      -0.2989    0.4816   -0.0610    0.5668    121.83
                        C6      -0.0533    0.5012   -0.0293    0.5041     96.07
                        H3      -0.0104    0.1349   -0.0059    0.1353     94.41
                        H6      -0.0632    0.6006   -0.0354    0.6039     96.01


             CYTOSINE   N1       0.0711    0.4472   -0.0101    0.4528     80.96
                        C2       0.0897    0.3095   -0.0010    0.3222     73.84
                        O2       0.2040    0.2657    0.0163    0.3350     52.48
                        N3      -0.0186    0.2283   -0.0115    0.2290     94.67
                        C4      -0.1409    0.2796   -0.0302    0.3131    116.74
                        N4      -0.2433    0.1962   -0.0398    0.3126    141.11
                        C5      -0.1621    0.4210   -0.0399    0.4511    111.06
                        C6      -0.0526    0.5004   -0.0292    0.5032     96.00
                        H14     -0.2282    0.0976   -0.0330    0.2482    156.85
                        H24     -0.3357    0.2319   -0.0538    0.4080    145.36
                        H5      -0.2534    0.4594   -0.0539    0.5246    118.88
                        H6      -0.0630    0.5997   -0.0354    0.6030     96.00


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