NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     I  4.1574 8.0249 121.4506 61.1066 38.5797 174.4967
  3     E  4.5330 8.4925 123.5158 52.0417 31.7913 173.5728
  4     P  4.6123 0.0000   0.0000 62.3218 33.6900 175.5833
  5     D  4.5483 8.4475 118.2291 54.6073 41.1910 176.2798

  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     I  8.02 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 0.91 0.00 0.00 
  3     E  8.49 4.53 0.00 2.00 1.83 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 2.21 2.36 0.00 
  4     P  0.00 4.61 0.00 2.17 2.04 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 
  5     D  8.45 4.55 0.00 2.65 2.57 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