NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2568 8.3449 119.6882 55.7926 30.0706 174.5682
  2     L  4.3704 8.0887 121.5844 51.9224 43.7741 174.5648
  3     S  4.2566 8.1214 114.6301 57.4375 63.7199 171.5860
  4     P  4.5315 0.0000   0.0000 61.9527 31.8311 175.7229
  5     F  4.0117 8.8541 121.0194 58.3320 39.4477 173.3449
  6     P  4.6310 0.0000   0.0000 61.7857 32.2713 175.4653
  7     F  4.7324 8.4703 118.1944 57.1446 39.6629 174.8341
  8     D  4.6566 8.4160 121.6932 54.0345 41.3680 176.9847
  9     L  4.2130 8.4465 121.7878 55.1759 41.6642 176.9549

  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 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 
  2     L  8.09 4.37 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  8.12 4.26 0.00 3.81 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 4.53 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 1.98 0.00 
  5     F  8.85 4.01 0.00 3.01 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 
  6     P  0.00 4.63 0.00 2.15 1.95 0.00 3.04 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 
  7     F  8.47 4.73 0.00 2.95 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  8.42 4.66 0.00 2.71 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  8.45 4.21 0.00 1.63 1.59 0.92 0.84 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