NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2194 8.3101 119.9972 56.3657 33.9346 175.1066
  2     A  3.9993 8.4234 124.3679 51.0657 19.1207 176.1041
  3     K  4.1550 8.6290 121.4999 56.4950 33.5122 174.0577

  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     K  8.31 4.22 0.00 1.88 1.88 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.45 7.81 
  2     A  8.42 4.00 1.29 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 
  3     K  8.63 4.15 0.00 1.67 1.63 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.38 7.81