NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  16    K  4.3229 8.3149 122.1414 54.3691 33.4877 174.8154
  17    R  4.3150 8.2986 120.2456 53.2746 31.4086 174.7883
  18    H  4.7769 8.2321 117.7742 54.1417 31.5660 172.8302
  19    R  4.7059 8.1919 115.0207 54.2726 32.3202 174.2021
  20    K  4.7160 8.3852 116.7015 54.5700 34.3628 176.4930
  21    V  4.3970 8.0516 121.2684 60.1025 34.2092 173.6038
  22    L  4.4621 8.4007 125.2273 53.3315 42.8619 175.6453
  23    R  4.1967 8.3738 126.4750 56.7176 31.1882 175.6582
  24    D  4.8945 8.6592 122.3155 54.8174 40.3482 174.2183

  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   
  16    K  8.31 4.32 0.00 1.79 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 
  17    R  8.30 4.31 0.00 1.85 1.83 0.00 3.15 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 
  18    H  8.23 4.78 0.00 3.22 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  19    R  8.19 4.71 0.00 1.89 1.93 0.00 2.99 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 
  20    K  8.39 4.72 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.43 7.81 
  21    V  8.05 4.40 2.09 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 0.68 0.00 0.00 0.93 0.00 0.00 
  22    L  8.40 4.46 0.00 1.60 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 
  23    R  8.37 4.20 0.00 1.81 1.80 0.00 3.34 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 
  24    D  8.66 4.89 0.00 2.88 2.74 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