NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.3066 8.1227 123.5821 51.8701 19.8800 177.0240
  2     R  3.7827 8.4164 118.3841 56.6707 30.1624 175.1637
  3     T  4.3862 8.4620 106.9234 62.2300 70.9193 175.6838
  4     K  4.0778 7.7292 121.6466 57.5719 32.4329 176.7140
  5     Q  4.3278 7.8449 122.3140 56.9937 29.3300 172.7364

  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     A  8.12 4.31 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 
  2     R  8.42 3.78 0.00 1.87 1.96 0.00 3.22 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 
  3     T  8.46 4.39 4.24 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 1.21 0.00 0.00 
  4     K  7.73 4.08 0.00 1.89 1.90 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 
  5     Q  7.84 4.33 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00