NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9166 8.3393 109.7401 45.7294  0.0000 172.6179
  2     H  4.5271 8.7456 115.6751 53.8703 29.9806 173.9456
  3     R  4.3995 7.7989 118.6143 53.1658 30.8407 173.9768
  4     P  4.4321 0.0000   0.0000 62.5124 31.1267 177.1123

  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  8.75 4.53 0.00 3.37 3.32 0.00 5.48 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  7.80 4.40 0.00 1.68 1.80 0.00 3.28 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 
  4     P  0.00 4.43 0.00 2.21 2.05 0.00 3.68 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00