NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.6989 8.4544 120.6454 56.6854 40.3030 172.3750
  2     H  4.9674 8.4612 122.3555 51.4305 32.3408 172.1775
  3     P  5.1231 0.0000   0.0000 65.1394 31.8409 176.8982
  4     Q  3.7829 8.0043 118.6994 58.0613 29.1481 176.5083
  5     F  4.8109 8.4155 115.2948 58.4915 40.6787 173.2181
  6     C  4.6207 8.1299 119.1163 55.3976 42.7342 173.4064

  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     C  8.45 4.70 0.00 2.98 3.10 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  8.46 4.97 0.00 3.37 3.43 0.00 5.75 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     P  0.00 5.12 0.00 2.09 2.11 0.00 2.98 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 
  4     Q  8.00 3.78 0.00 1.70 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 1.19 1.96 0.00 
  5     F  8.42 4.81 0.00 3.19 3.03 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 
  6     C  8.13 4.62 0.00 3.11 3.21 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