NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  441   D  4.6180 8.3649 120.3147 52.2621 41.5976 175.2271
  442   K  4.4144 7.7112 118.2749 51.7626 34.4513 173.4855
  443   P  4.5278 0.0000   0.0000 62.0898 33.3843 175.7716
  444   H  4.4482 8.5101 114.5392 56.3196 28.5622 175.7114

  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   
  441   D  8.36 4.62 0.00 2.80 2.87 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 
  442   K  7.71 4.41 0.00 1.81 1.73 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.43 7.81 
  443   P  0.00 4.53 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 
  444   H  8.51 4.45 0.00 3.17 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00