NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.6595 8.4544 118.1653 56.4800 35.4799 172.4486
  2     H  3.9258 8.5210 124.4515 53.7982 29.9457 173.7671
  3     P  4.3649 0.0000   0.0000 64.9942 32.0877 176.4966
  4     Q  4.1099 8.2707 119.4051 58.0059 29.4590 175.7642
  5     G  3.9196 7.6489 106.0915 43.7581  0.0000 170.6478
  6     P  4.5335 0.0000   0.0000 61.0973 32.2382 173.7619
  7     P  4.2286 0.0000   0.0000 63.4621 31.6262 177.1547
  8     C  4.5597 8.5736 120.1412 56.7705 44.8805 173.5007

  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 4.66 0.00 2.98 3.15 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  8.52 3.93 0.00 3.24 3.20 0.00 5.68 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 
  3     P  0.00 4.36 0.00 2.17 2.12 0.00 3.34 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 
  4     Q  8.27 4.11 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 
  5     G  7.65 3.92 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 
  6     P  0.00 4.53 0.00 2.19 2.11 0.00 3.81 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 
  7     P  0.00 4.23 0.00 2.06 2.06 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 
  8     C  8.57 4.56 0.00 2.88 2.89 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