NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  3     H  4.6385 8.2876 120.3896 55.1300 30.9384 174.0036
  4     P  4.1149 0.0000   0.0000 64.5011 31.0097 175.4016
  5     Q  4.1233 8.4059 118.9489 57.3074 30.2831 176.8150
  6     G  3.8736 7.8093 106.8480 44.1325  0.0000 170.8795
  7     P  4.4984 0.0000   0.0000 61.3841 32.0282 174.7933
  8     P  4.4051 0.0000   0.0000 63.0586 31.1830 176.6064

  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 4.64 0.00 3.19 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.71 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 4.11 0.00 2.25 2.14 0.00 3.31 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 
  5     Q  8.41 4.12 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 
  6     G  7.81 3.87 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 4.50 0.00 2.19 2.11 0.00 3.79 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 2.02 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 2.03 2.09 0.00