NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2921 8.4444 118.8013 55.7745 30.8929 174.8860
  2     Q  4.0601 8.3887 120.8126 55.2921 29.7554 173.4232
  3     Y  4.4667 9.0060 123.2849 56.3106 40.9382 174.5829
  4     K  4.1524 6.8398 123.1085 54.6205 32.3206 176.4947
  5     F  4.4549 8.5399 123.2331 56.7053 39.9334 174.9343
  6     Y  4.5513 8.6089 125.7292 56.5823 39.3233 174.5392
  7     S  3.9877 8.9597 123.7901 59.7330 62.1457 174.8495
  8     V  3.7001 8.0401 117.0349 61.5975 31.3600 174.4464

  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     E  8.44 4.29 0.00 2.12 2.05 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 2.19 2.33 0.00 
  2     Q  8.39 4.06 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 
  3     Y  9.01 4.47 0.00 2.57 2.07 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     K  6.84 4.15 0.00 1.36 1.40 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.32 7.81 
  5     F  8.54 4.45 0.00 2.97 3.06 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     Y  8.61 4.55 0.00 2.79 2.92 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 
  7     S  8.96 3.99 0.00 3.71 3.78 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     V  8.04 3.70 2.03 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 0.63 0.00 0.00 0.86 0.00 0.00