NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2372 8.3144 119.9968 56.7510 34.5558 175.7897
  2     R  3.9822 7.8125 119.9762 53.2828 30.4899 173.7748
  3     R  4.6937 8.8788 121.5020 54.3838 33.6218 174.3420
  4     R  4.2030 8.2136 117.4625 56.2463 30.8580 176.3642
  5     H  4.7429 8.3915 116.3155 53.3138 31.1105 172.1119
  6     P  4.4558 0.0000   0.0000 62.4271 31.9574 177.0006
  7     S  4.3315 8.4532 115.1047 59.0318 62.8457 174.4623

  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 1.88 2.01 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.44 7.81 
  2     R  7.81 3.98 0.00 1.88 1.88 0.00 3.20 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 
  3     R  8.88 4.69 0.00 1.82 1.78 0.00 3.00 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.00 
  4     R  8.21 4.20 0.00 1.80 1.89 0.00 3.14 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 
  5     H  8.39 4.74 0.00 3.03 3.21 0.00 5.90 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 
  6     P  0.00 4.46 0.00 2.04 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 2.11 0.00 
  7     S  8.45 4.33 0.00 3.86 3.77 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 0.00 0.00 0.00