NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2797 8.3149 120.1339 55.8218 33.4782 175.5798
  2     L  4.0228 8.2854 123.0369 53.6958 42.3003 175.2289
  3     T  4.0275 8.9751 116.3356 61.9835 68.6884 172.1120
  4     P  4.6001 0.0000   0.0000 62.3050 31.7669 174.7057
  5     L  4.6281 7.6202 120.2973 53.0342 44.5449 174.8730
  6     C  4.6592 8.2206 113.9503 56.2783 30.6758 174.2097
  7     V  4.0813 8.1380 117.9454 61.0139 32.3983 175.7841
  8     T  4.6397 7.8387 114.6392 60.4391 70.3051 173.6297
  9     L  4.1788 8.5079 126.4176 55.2001 41.6104 176.9853

  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     K  8.31 4.28 0.00 1.76 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 
  2     L  8.29 4.02 0.00 1.71 1.61 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 
  3     T  8.98 4.03 4.24 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 1.21 0.00 0.00 
  4     P  0.00 4.60 0.00 2.07 2.05 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 
  5     L  7.62 4.63 0.00 1.57 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 
  6     C  8.22 4.66 0.00 3.06 2.89 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     V  8.14 4.08 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 0.69 0.00 0.00 0.93 0.00 0.00 
  8     T  7.84 4.64 4.24 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 1.21 0.00 0.00 
  9     L  8.51 4.18 0.00 1.65 1.57 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00