NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.6883 8.4544 120.6454 56.6826 42.8644 172.4567
  2     H  4.9698 8.4840 123.5715 51.4610 32.2627 172.4154
  3     P  5.0981 0.0000   0.0000 65.1518 31.8946 176.9675
  4     Q  3.7927 8.1841 118.8524 58.1722 29.1913 176.5520
  5     F  4.7454 8.2550 115.6226 58.6363 40.4194 173.3150
  6     C  4.6339 8.1134 119.1219 55.4133 42.7189 173.4422

  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 4.69 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  8.48 4.97 0.00 3.37 3.40 0.00 5.75 0.00 0.00 0.00 0.00 6.58 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 5.10 0.00 2.11 2.12 0.00 2.93 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 
  4     Q  8.18 3.79 0.00 1.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.94 0.00 
  5     F  8.26 4.75 0.00 3.21 3.04 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  8.11 4.63 0.00 3.10 3.20 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