NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2594 8.3449 119.6886 55.7380 29.5729 174.9583
  2     L  4.2480 8.2406 123.7203 52.1678 43.2573 174.8257
  3     S  4.2075 8.1956 114.3743 57.6971 63.5886 171.5446
  4     P  4.5388 0.0000   0.0000 61.9787 31.8172 175.7166
  5     F  4.2222 8.7440 121.4721 57.7366 39.5382 173.1351
  6     P  4.4799 0.0000   0.0000 62.1832 32.0278 176.0883
  7     F  4.5381 8.4932 118.2982 57.0854 39.6226 175.2549
  8     D  4.4875 8.3771 122.2515 54.2772 41.2918 176.6415
  9     L  4.1445 8.3743 122.8499 55.4534 42.1112 176.6250

  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     Q  8.34 4.26 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 
  2     L  8.24 4.25 0.00 1.72 1.65 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 
  3     S  8.20 4.21 0.00 3.82 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 
  4     P  0.00 4.54 0.00 2.32 2.12 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 
  5     F  8.74 4.22 0.00 2.98 3.11 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 
  6     P  0.00 4.48 0.00 2.06 1.90 0.00 2.74 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 
  7     F  8.49 4.54 0.00 2.91 2.97 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 
  8     D  8.38 4.49 0.00 2.68 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 
  9     L  8.37 4.14 0.00 1.58 1.55 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00