NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.2858 8.2544 119.7066 55.7295 31.3504 174.7956
  2     I  3.6047 8.3150 124.1057 59.3357 37.3355 173.5453
  3     I  3.6065 8.4110 127.1521 60.9293 39.0567 173.6707
  4     P  4.3752 0.0000   0.0000 65.4827 30.9331 176.2856
  5     R  4.4011 7.0671 117.3734 54.7724 31.6290 173.4712
  6     H  4.8569 8.2132 117.9685 54.2984 33.1872 171.6541
  7     L  4.5186 8.2171 121.6436 53.1384 42.4641 177.4196
  8     Q  4.2592 8.4861 123.5093 54.5561 27.4895 176.0756
  9     L  4.1591 8.3603 121.5002 55.0496 41.6136 177.5753

  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     R  8.25 4.29 0.00 1.82 1.96 0.00 3.34 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 
  2     I  8.31 3.60 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.92 0.00 0.00 
  3     I  8.41 3.61 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.95 0.00 0.00 
  4     P  0.00 4.38 0.00 2.22 2.19 0.00 3.80 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 1.99 1.98 0.00 
  5     R  7.07 4.40 0.00 1.89 1.89 0.00 3.21 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 
  6     H  8.21 4.86 0.00 3.06 3.11 0.00 5.96 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  7     L  8.22 4.52 0.00 1.65 1.59 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 
  8     Q  8.49 4.26 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 
  9     L  8.36 4.16 0.00 1.64 1.61 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00