NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  3.7178 8.3293 121.6941 57.0711 30.0027 174.8076
  2     F  3.8960 8.1978 120.9231 57.8566 40.8081 172.9660
  3     H  4.0843 9.0901 115.7394 56.5912 33.2968 174.1733
  4     P  4.5023 0.0000   0.0000 63.1269 31.4383 173.5485

  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     Q  8.33 3.72 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 
  2     F  8.20 3.90 0.00 3.19 3.43 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  9.09 4.08 0.00 3.15 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.99 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 4.50 0.00 2.42 2.22 0.00 3.62 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 1.60 1.85 0.00