NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.2209 8.2549 117.2774 55.7108 30.6865 174.8818
  2     R  4.0340 8.1422 118.6376 54.0650 30.9469 174.2037
  3     R  4.6585 8.6404 115.8806 53.6478 33.0106 174.9672
  4     W  4.1632 8.4984 118.9411 57.2313 29.6930 174.8426
  5     H  4.7458 8.6296 119.0985 54.8853 30.1395 173.9649
  6     R  3.7810 7.6958 127.4494 58.0812 30.3549 176.1942
  7     W  5.0029 6.7345 116.3858 55.5781 30.6145 176.0291
  8     R  4.8257 8.3516 118.6975 54.1405 33.3739 175.6188
  9     L  4.2206 8.6514 119.8384 55.2512 41.5880 177.1048

  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 4.22 0.00 1.89 1.98 0.00 2.99 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 
  2     R  8.14 4.03 0.00 1.71 1.77 0.00 2.99 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 
  3     R  8.64 4.66 0.00 1.96 1.92 0.00 3.12 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 
  4     W  8.50 4.16 0.00 3.31 3.22 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 
  5     H  8.63 4.75 0.00 3.11 3.26 0.00 5.91 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  6     R  7.70 3.78 0.00 1.19 0.66 0.00 2.87 0.00 0.00 2.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.18 0.00 
  7     W  6.73 5.00 0.00 3.24 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     R  8.35 4.83 0.00 1.83 1.84 0.00 3.43 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 
  9     L  8.65 4.22 0.00 1.67 1.62 0.95 0.89 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