NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.3719 8.2493 123.5841 52.7605 19.6076 173.9940
  2     H  5.0323 8.4766 112.2581 55.4940 30.9025 173.7901
  3     R  4.6481 8.1484 111.4078 54.3866 33.0188 174.2681
  4     P  4.4407 0.0000   0.0000 63.1639 30.8768 177.1162

  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     A  8.25 4.37 1.25 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  8.48 5.03 0.00 3.35 3.31 0.00 5.55 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  8.15 4.65 0.00 1.78 1.85 0.00 3.39 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 
  4     P  0.00 4.44 0.00 2.18 2.12 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00