NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.4908 8.3231 116.7949 57.2339 65.1173 173.1859
  3     G  4.0281 7.9786 113.8175 44.7286  0.0000 171.7523
  4     K  4.0293 8.3457 119.3890 55.7233 33.7172 175.6346
  5     V  4.2343 8.1379 123.5570 60.0561 32.8501 173.1556
  6     P  4.2837 0.0000   0.0000 63.1015 31.5918 178.5435
  7     L  4.2812 8.6226 120.4051 55.4569 40.9410 177.2081
  8     S  4.2493 8.1064 120.0098 58.5783 62.1256 173.9516

  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   
  2     S  8.32 4.49 0.00 3.88 3.79 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 
  3     G  7.98 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     K  8.35 4.03 0.00 1.76 1.77 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81 
  5     V  8.14 4.23 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 
  6     P  0.00 4.28 0.00 2.21 1.98 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 
  7     L  8.62 4.28 0.00 1.63 1.69 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 
  8     S  8.11 4.25 0.00 3.80 3.76 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