NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  341   S  4.2447 8.3344 115.2896 57.9302 64.5954 173.8112
  342   D  4.4658 7.5868 128.3422 50.5469 40.2557 174.7531
  343   P  4.3035 0.0000   0.0000 64.3430 32.2256 176.9567
  344   W  4.4946 8.2915 118.2631 57.6119 29.2712 176.1440
  345   K  4.0884 7.7908 125.4605 57.1097 32.3220 174.3357

  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   
  341   S  8.33 4.24 0.00 3.85 3.89 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 
  342   D  7.59 4.47 0.00 2.86 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 
  343   P  0.00 4.30 0.00 1.84 1.99 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.75 0.00 
  344   W  8.29 4.49 0.00 3.55 3.25 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 
  345   K  7.79 4.09 0.00 1.71 1.67 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.38 7.81