NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2912 8.3149 119.9972 56.3682 33.9338 175.2323
  2     Q  3.9685 8.5171 120.3520 54.8860 29.4011 174.7757
  3     K  4.1480 8.6648 121.2909 56.5315 33.4243 175.1649

  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     K  8.31 4.29 0.00 1.88 1.88 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 
  2     Q  8.52 3.97 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 
  3     K  8.66 4.15 0.00 1.64 1.62 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.44 7.81