NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2554 8.3449 119.6880 55.7707 30.0632 174.8822
  2     L  4.2888 8.1758 122.4849 52.1959 43.4108 174.5615
  3     S  4.2874 8.0987 114.5543 57.3638 63.7644 171.6212
  4     P  4.4981 0.0000   0.0000 61.9894 31.7903 175.7565
  5     F  3.8937 8.9281 121.0175 58.3636 39.4271 173.5592
  6     P  4.5720 0.0000   0.0000 62.0367 32.1005 175.6919
  7     F  4.7725 8.4625 118.2781 57.1476 39.6773 174.9657
  8     D  4.6433 8.4147 121.7749 54.2005 41.3399 176.9581
  9     L  4.2238 8.4319 121.4837 55.1834 41.7041 176.9573

  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 4.26 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 
  2     L  8.18 4.29 0.00 1.72 1.62 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 
  3     S  8.10 4.29 0.00 3.81 3.74 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 4.50 0.00 2.32 2.10 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 2.01 1.98 0.00 
  5     F  8.93 3.89 0.00 3.04 3.09 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 4.57 0.00 2.15 1.93 0.00 3.01 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 
  7     F  8.46 4.77 0.00 2.97 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  8.41 4.64 0.00 2.71 2.64 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 4.22 0.00 1.63 1.59 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00