NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     D  4.5982 8.3649 120.5307 54.4827 41.9929 174.3079
  3     M  4.7147 8.4292 122.6613 53.2700 36.0723 174.0050
  4     Q  4.2523 8.6585 116.5112 56.3282 30.2440 175.6643

  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   
  2     D  8.36 4.60 0.00 2.68 2.69 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     M  8.43 4.71 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 
  4     Q  8.66 4.25 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00