NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.3307 8.2493 123.5821 51.5815 19.3788 176.6716
  2     P  4.2847 0.0000   0.0000 60.7188 32.7066 176.8800
  3     R  3.6299 8.6999 120.9041 59.0497 31.3313 178.8932
  4     K  4.0791 7.5373 118.3228 58.5720 32.5541 176.2084
  5     Q  4.1580 7.9222 122.8094 56.1573 29.0021 174.8643

  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  8.25 4.33 1.28 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     P  0.00 4.28 0.00 2.31 2.18 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 
  3     R  8.70 3.63 0.00 1.79 2.00 0.00 3.23 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 
  4     K  7.54 4.08 0.00 1.70 1.81 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.41 7.81 
  5     Q  7.92 4.16 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.42 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00