NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  500   K  4.2488 8.4145 120.1339 56.0602 33.5683 176.1530
  501   I  3.7724 8.3117 117.9206 59.3323 35.4030 172.9852

  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   
  500   K  8.41 4.25 0.00 1.76 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 
  501   I  8.31 3.77 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 1.27 0.53 0.91 0.00 0.00