NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  3     H  4.6181 8.2876 120.3893 55.1330 30.9478 174.0757
  4     P  4.1555 0.0000   0.0000 64.4354 31.1598 175.6436
  5     Q  4.0939 8.4984 119.4534 57.9286 30.3465 176.9149
  6     G  3.9394 7.5780 106.0639 43.7338  0.0000 170.7074
  7     P  4.5816 0.0000   0.0000 61.2449 32.6279 174.5318
  8     P  4.4121 0.0000   0.0000 62.9517 31.2687 176.6263

  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   
  3     H  8.29 4.62 0.00 3.19 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.68 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 4.16 0.00 2.26 2.13 0.00 3.28 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 
  5     Q  8.50 4.09 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 
  6     G  7.58 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 0.00 0.00 0.00 
  7     P  0.00 4.58 0.00 2.19 2.11 0.00 3.78 0.00 0.00 3.66 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 
  8     P  0.00 4.41 0.00 2.06 2.00 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00