NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2501 8.3101 122.1404 54.3027 33.4733 175.2799
  2     A  4.2757 8.3690 125.6558 50.5653 19.5234 175.2410
  3     R  4.5829 8.5241 118.7822 54.3557 33.6359 174.7928
  4     V  4.2160 8.1625 122.1262 61.1286 32.0619 175.3366
  5     L  4.3977 7.9948 132.2736 53.6849 41.4119 177.5055
  6     A  4.2161 7.5509 120.9254 52.3836 19.5090 177.0710
  7     E  4.6881 8.3204 119.7088 55.1467 32.7227 174.2537
  8     A  4.6242 8.0536 126.0294 51.1603 22.2549 175.9337
  9     M  4.1739 8.5252 119.0484 55.7905 32.3466 176.1394

  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 4.25 0.00 1.79 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 
  2     A  8.37 4.28 1.27 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     R  8.52 4.58 0.00 1.76 1.82 0.00 3.31 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 
  4     V  8.16 4.22 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 
  5     L  7.99 4.40 0.00 1.67 1.64 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 
  6     A  7.55 4.22 1.24 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 
  7     E  8.32 4.69 0.00 1.89 1.77 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 2.19 2.25 0.00 
  8     A  8.05 4.62 1.20 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 
  9     M  8.53 4.17 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00