NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     A  4.3078 8.2601 123.5821 51.8359 20.7818 176.6056
  3     A  4.5303 7.4975 116.4800 49.5909 22.1497 173.0415
  4     P  4.5634 0.0000   0.0000 62.3142 33.2578 175.3933
  5     K  4.1385 8.3120 120.5706 56.9736 33.0243 175.8580

  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     A  8.26 4.31 1.31 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 0.00 0.00 
  3     A  7.50 4.53 1.22 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 0.00 0.00 
  4     P  0.00 4.56 0.00 2.05 1.99 0.00 3.68 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 2.02 2.10 0.00 
  5     K  8.31 4.14 0.00 1.69 1.63 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.58 7.81