NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9730 8.3393 109.7412 45.8526  0.0000 174.3009
  2     H  4.5298 8.0223 115.1917 54.1001 30.6285 172.5638
  3     R  4.6458 8.9443 117.5422 53.9407 34.9044 174.5673
  4     P  4.4161 0.0000   0.0000 63.3340 31.3114 176.3500

  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 3.97 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  8.02 4.53 0.00 3.38 3.36 0.00 5.47 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  8.94 4.65 0.00 1.76 1.80 0.00 3.38 0.00 0.00 3.19 7.37 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 4.42 0.00 2.03 2.00 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00