NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  628   S  4.2539 8.3344 115.2910 58.2344 64.3805 173.9667
  629   D  4.4007 7.7893 124.4300 50.9247 40.2580 173.9283
  630   P  4.3540 0.0000   0.0000 64.2422 31.9905 176.0714
  631   F  4.7255 7.9034 117.1318 56.7114 39.1252 175.7945
  632   K  4.0140 7.8891 127.7119 57.4695 32.2179 174.1341

  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   
  628   S  8.33 4.25 0.00 3.85 3.97 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 
  629   D  7.79 4.40 0.00 2.93 2.62 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 
  630   P  0.00 4.35 0.00 1.95 2.04 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 
  631   F  7.90 4.73 0.00 3.48 3.05 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 
  632   K  7.89 4.01 0.00 1.75 1.68 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.20 1.31 7.81