NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.8736 8.3393 109.7435 45.6888  0.0000 172.1611
  2     H  4.5982 7.7331 115.3828 53.9022 31.1024 174.6434
  3     R  4.4034 8.7904 118.7640 53.7579 32.1890 175.1054
  4     P  4.4549 0.0000   0.0000 62.5661 31.3570 176.7491

  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 3.87 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  7.73 4.60 0.00 3.36 3.32 0.00 5.48 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  8.79 4.40 0.00 1.76 1.85 0.00 3.35 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 
  4     P  0.00 4.45 0.00 2.06 1.99 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00