NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.8986 8.3393 109.7395 45.8174  0.0000 172.7655
  2     H  4.8077 8.3600 115.7775 53.3461 31.3591 173.2583
  3     R  4.5767 7.8814 115.3897 53.0055 31.1542 175.0419
  4     P  4.4511 0.0000   0.0000 63.2606 30.8838 177.0813

  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     G  8.34 3.90 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 0.00 0.00 0.00 
  2     H  8.36 4.81 0.00 3.35 3.31 0.00 5.47 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  7.88 4.58 0.00 1.77 1.86 0.00 3.39 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 
  4     P  0.00 4.45 0.00 2.20 2.16 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00