NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2358 8.3101 120.1366 56.2770 33.5331 174.9907
  2     A  4.3451 8.2514 124.9568 48.9601 20.0611 172.3726
  3     V  3.9589 7.9465 120.4015 61.6893 33.2573 173.3811
  4     Y  4.9082 7.5215 117.1140 55.3443 40.8731 174.5357
  5     N  4.7866 8.6839 118.4719 52.3435 40.3015 173.5027
  6     L  4.4309 7.9290 117.0927 55.4075 44.3584 177.2810
  7     A  4.0662 8.3084 124.2704 52.6202 19.6237 178.4104
  8     T  4.2553 8.2088 112.8768 60.8154 70.1068 174.5984
  9     M  4.2046 8.4877 119.9880 55.8920 31.9215 176.6796

  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 4.24 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 
  2     A  8.25 4.35 1.30 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     V  7.95 3.96 2.06 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 0.78 0.00 0.00 0.83 0.00 0.00 
  4     Y  7.52 4.91 0.00 3.03 2.89 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 
  5     N  8.68 4.79 0.00 2.77 2.79 0.00 0.00 6.79 7.85 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 
  6     L  7.93 4.43 0.00 1.59 1.48 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 
  7     A  8.31 4.07 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 
  8     T  8.21 4.26 4.25 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 1.22 0.00 0.00 
  9     M  8.49 4.20 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00