NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     P  4.3349 0.0000   0.0000 62.2837 32.1739 176.3064
  3     S  4.3297 8.3739 120.2376 54.9582 64.0605 171.4476
  4     P  4.5225 0.0000   0.0000 62.4647 32.7450 176.2317
  5     S  4.3242 8.2971 116.0923 57.6649 63.4595 172.5542
  6     P  4.4349 0.0000   0.0000 62.2607 31.8928 176.6001
  7     S  4.1996 8.5433 117.9432 58.2742 63.3287 172.5319
  8     P  4.5602 0.0000   0.0000 62.3742 32.4094 176.1842
  9     S  4.2092 7.9318 112.3151 57.8632 62.4626 173.7989

  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     P  0.00 4.33 0.00 2.06 2.09 0.00 3.64 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 1.92 2.11 0.00 
  3     S  8.37 4.33 0.00 3.94 3.83 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 4.52 0.00 2.17 2.04 0.00 3.77 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 
  5     S  8.30 4.32 0.00 3.88 3.84 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     P  0.00 4.43 0.00 2.17 2.05 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 
  7     S  8.54 4.20 0.00 3.88 3.85 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 
  8     P  0.00 4.56 0.00 2.17 2.05 0.00 3.79 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 1.94 0.00 
  9     S  7.93 4.21 0.00 3.87 3.74 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