NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Y  4.5225 8.1444 121.6899 57.3485 40.7659 175.1761
  2     Q  3.9902 8.0380 121.0140 54.7405 29.6521 173.8943
  3     S  4.2747 9.2641 123.0219 58.3196 64.5693 173.0410
  4     K  4.5419 8.2384 123.2604 54.3426 33.7763 176.4559
  5     L  4.1609 8.4998 122.6138 55.1034 41.5237 176.8948

  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     Y  8.14 4.52 0.00 2.92 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 
  2     Q  8.04 3.99 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 
  3     S  9.26 4.27 0.00 3.84 3.73 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     K  8.24 4.54 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.37 7.81 
  5     L  8.50 4.16 0.00 1.63 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00