NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9190 8.3393 109.7403 45.6883  0.0000 172.9558
  2     H  4.7973 8.5413 118.2113 53.2327 31.2397 172.8339
  3     R  4.4227 7.9155 118.4856 53.8351 32.3543 174.9583
  4     P  4.4446 0.0000   0.0000 62.7818 31.3845 176.8892

  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 3.92 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  8.54 4.80 0.00 3.32 3.26 0.00 5.49 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 
  3     R  7.92 4.42 0.00 1.76 1.85 0.00 3.35 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 
  4     P  0.00 4.44 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00