NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  3     S  4.4762 8.3344 115.4228 58.5965 63.3714 172.0111
  4     H  4.5638 8.3202 127.4466 53.8966 31.1860 173.8966
  5     P  4.2093 0.0000   0.0000 65.4084 32.3046 177.2726
  6     Q  3.8132 8.0931 118.1583 57.7625 29.1190 175.8445
  7     F  4.6660 7.7297 120.7527 57.5353 39.4393 174.7740

  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   
  3     S  8.33 4.48 0.00 4.03 4.03 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 
  4     H  8.32 4.56 0.00 3.38 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  5     P  0.00 4.21 0.00 1.96 2.02 0.00 2.95 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 
  6     Q  8.09 3.81 0.00 1.59 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 1.64 2.08 0.00 
  7     F  7.73 4.67 0.00 3.12 2.85 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