NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     R  4.1746 8.2549 120.8598 56.2080 31.1667 174.6666
  3     C  4.3762 8.5493 122.5035 57.1158 29.1527 168.4375
  4     V  4.0192 9.0567 127.1742 61.8010 32.2271 175.2494
  5     L  4.3985 8.4560 127.3854 55.4989 42.5300 176.8289
  6     L  4.3632 7.6978 122.3685 54.7832 42.4207 176.0876

  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 4.17 0.00 1.79 1.90 0.00 3.16 0.00 0.00 3.22 7.34 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  8.55 4.38 0.00 3.05 2.84 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 4.02 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 0.81 0.00 0.00 0.93 0.00 0.00 
  5     L  8.46 4.40 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 1.86 0.00 0.00 0.00 0.00 0.00 0.00 
  6     L  7.70 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 1.47 0.00 0.00 0.00 0.00 0.00 0.00