NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     L  4.2457 8.1693 122.4910 54.6542 43.0394 176.5650
  2     S  4.2383 8.4644 120.8304 55.9837 63.8616 172.0168
  3     S  4.4077 8.1572 116.1818 57.4123 64.4812 173.4942
  4     P  4.4640 0.0000   0.0000 62.9135 31.3988 175.9376
  5     V  3.8950 7.4730 119.6180 62.0748 31.2453 175.6833
  6     T  4.0002 8.5125 125.1906 63.9389 68.7161 175.3797
  7     K  4.5569 8.4375 127.4063 54.5287 31.6640 174.3989
  8     S  4.6605 7.9294 115.0875 56.7844 64.8044 175.3864
  9     F  4.4594 8.9369 121.7748 57.9453 38.6656 175.1362

  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     L  8.17 4.25 0.00 1.62 1.66 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 
  2     S  8.46 4.24 0.00 4.10 3.87 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     S  8.16 4.41 0.00 4.01 3.91 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 4.46 0.00 2.20 2.19 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 
  5     V  7.47 3.89 2.09 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 0.94 0.00 0.00 
  6     T  8.51 4.00 4.26 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 1.23 0.00 0.00 
  7     K  8.44 4.56 0.00 1.82 1.87 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.39 7.81 
  8     S  7.93 4.66 0.00 4.03 3.89 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 
  9     F  8.94 4.46 0.00 2.90 3.00 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