NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.4589 8.3193 116.7952 58.0684 65.2757 174.1879
  3     I  3.9757 7.4422 114.0618 57.6926 39.1210 170.4982
  4     P  4.4745 0.0000   0.0000 59.8879 34.5946 174.6450
  5     T  3.1126 7.8400 118.4384 62.4598 66.1732 172.0984
  6     H  4.0741 7.9740 123.0501 56.3773 27.2769 176.3434
  7     T  3.5227 8.2570 109.0148 64.5960 65.0497 172.3227
  8     S  4.3951 6.7256 118.7098 59.4292 65.0194 171.2247
  9     P  4.7830 0.0000   0.0000 62.9792 32.6518 172.9398
  10    L  4.2932 8.3962 119.7170 55.2586 42.3061 175.9606

  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 4.46 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 
  3     I  7.44 3.98 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.91 0.00 0.00 
  4     P  0.00 4.47 0.00 2.16 1.97 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 
  5     T  7.84 3.11 4.31 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 
  6     H  7.97 4.07 0.00 3.32 3.64 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  7     T  8.26 3.52 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 1.22 0.00 0.00 
  8     S  6.73 4.40 0.00 3.89 3.69 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     P  0.00 4.78 0.00 2.18 1.98 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 
  10    L  8.40 4.29 0.00 1.54 1.51 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00