NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.4646 8.3344 115.4146 58.3772 64.5440 172.4660
  3     H  4.6699 8.1721 120.2583 51.7226 32.3812 171.9379
  4     P  4.3224 0.0000   0.0000 64.3979 32.3783 176.8199
  5     Q  4.0899 7.9622 120.3824 58.9121 29.0458 175.0217
  6     N  5.1146 7.7843 111.1291 51.8574 42.6080 174.2606
  7     T  4.1547 8.3810 112.3540 62.6120 67.5702 173.9150

  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     S  8.33 4.46 0.00 3.99 3.94 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     H  8.17 4.67 0.00 3.21 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     P  0.00 4.32 0.00 2.16 2.10 0.00 3.36 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 
  5     Q  7.96 4.09 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 
  6     N  7.78 5.11 0.00 2.71 2.71 0.00 0.00 6.66 7.55 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 
  7     T  8.38 4.15 4.24 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 1.21 0.00 0.00