NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.6871 8.4544 120.6450 56.5281 43.4507 173.2202
  2     H  4.4725 8.7715 126.9543 53.1889 30.4439 173.5288
  3     P  4.4464 0.0000   0.0000 65.7858 31.8830 177.7185
  4     Q  3.7964 8.2312 118.2344 58.0038 28.8452 176.7788
  5     F  4.7817 8.0102 117.7101 58.4651 40.5706 173.1225
  6     C  4.5331 7.9593 115.8258 55.6122 42.7265 173.4806

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  1     C  8.45 4.69 0.00 2.98 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     H  8.77 4.47 0.00 3.46 3.61 0.00 5.73 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     P  0.00 4.45 0.00 2.18 2.12 0.00 3.39 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 
  4     Q  8.23 3.80 0.00 1.78 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 1.51 2.09 0.00 
  5     F  8.01 4.78 0.00 3.24 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  6     C  7.96 4.53 0.00 3.05 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00