NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  5     S  4.4495 8.3193 116.7949 58.3345 65.0061 172.5885
  6     T  4.5181 7.4234 108.5184 59.1898 71.8824 171.6042
  7     T  4.0146 8.1919 119.1033 62.7031 69.6044 174.4265
  8     P  4.4251 0.0000   0.0000 62.1333 32.3219 175.9129
  9     A  4.2217 8.2488 123.3721 51.2094 19.1519 175.9372
  10    P  4.5746 0.0000   0.0000 62.0453 32.5208 176.4081
  11    T  3.9422 8.2162 116.4694 64.0037 68.8588 174.6460
  12    T  4.3463 8.1506 115.6755 59.9675 70.3745 174.8500
  13    K  4.0080 8.6158 120.0224 57.5593 32.2401 176.5811

  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   
  5     S  8.32 4.45 0.00 3.88 3.99 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     T  7.42 4.52 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 
  7     T  8.19 4.01 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 
  8     P  0.00 4.43 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 
  9     A  8.25 4.22 1.26 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 0.00 0.00 0.00 
  10    P  0.00 4.57 0.00 2.19 2.06 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 
  11    T  8.22 3.94 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 
  12    T  8.15 4.35 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 
  13    K  8.62 4.01 0.00 1.88 1.87 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.40 7.81