NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2539 8.3449 119.6882 55.7913 30.0668 174.5672
  2     L  4.3426 8.0754 121.2887 52.0746 43.6618 174.6138
  3     S  4.2754 8.1142 114.5789 57.3331 63.7280 171.5199
  4     P  4.5222 0.0000   0.0000 61.9980 31.7719 175.6936
  5     F  4.0203 8.8529 120.9410 58.2716 39.4588 173.2843
  6     P  4.6048 0.0000   0.0000 61.8959 32.1944 175.5936
  7     F  4.7114 8.4942 118.3417 57.2161 39.6695 174.8080
  8     D  4.6532 8.3983 121.6619 54.0263 41.3792 176.9842
  9     L  4.2117 8.4315 121.6136 55.1848 41.6623 176.9824

  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  8.34 4.25 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 
  2     L  8.08 4.34 0.00 1.72 1.62 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 
  3     S  8.11 4.28 0.00 3.82 3.75 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 
  4     P  0.00 4.52 0.00 2.32 2.11 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 
  5     F  8.85 4.02 0.00 3.01 3.06 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 4.60 0.00 2.14 1.94 0.00 3.10 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 
  7     F  8.49 4.71 0.00 2.96 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 
  8     D  8.40 4.65 0.00 2.70 2.63 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 
  9     L  8.43 4.21 0.00 1.63 1.59 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00