NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     R  4.2086 8.2549 120.8598 56.3289 31.1114 175.2293
  3     C  4.3991 8.2384 119.9132 56.7326 29.4982 168.3210
  4     V  3.7889 9.0589 126.2222 62.5524 32.2015 175.4401
  5     L  4.4765 8.4805 127.0625 55.1791 42.8082 176.6685
  6     L  4.3638 7.6835 122.3674 54.7955 42.4760 176.0862

  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   
  2     R  8.25 4.21 0.00 1.79 1.90 0.00 3.14 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 
  3     C  8.24 4.40 0.00 3.02 2.83 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     V  9.06 3.79 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 
  5     L  8.48 4.48 0.00 1.67 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 
  6     L  7.68 4.36 0.00 1.57 1.50 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00