NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2507 8.4331 121.4701 55.7084 30.7705 175.5305
  2     G  3.6284 8.5046 114.8810 43.6604  0.0000 171.3579
  3     S  4.5325 9.0466 115.8259 56.9557 65.6268 172.3728
  4     R  4.4592 8.0841 120.2773 54.2118 30.7383 176.3181
  5     N  4.5453 8.5845 120.6715 53.5173 40.7851 175.5555
  6     Q  4.1152 8.3351 122.7559 56.2042 27.2596 178.7081
  7     D  3.7878 8.7449 109.8019 53.2335 41.9786 174.5950
  8     W  4.5386 7.0720 124.4945 56.0518 30.0515 176.4310
  9     L  4.2366 8.5207 118.2247 55.4051 41.0659 177.4489

  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     E  8.43 4.25 0.00 1.94 1.92 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 2.19 2.32 0.00 
  2     G  8.50 3.63 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 0.00 
  3     S  9.05 4.53 0.00 3.97 3.86 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     R  8.08 4.46 0.00 1.77 1.89 0.00 3.20 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 
  5     N  8.58 4.55 0.00 2.70 2.72 0.00 0.00 7.06 7.69 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 
  6     Q  8.34 4.12 0.00 1.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 
  7     D  8.74 3.79 0.00 2.48 2.41 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     W  7.07 4.54 0.00 3.32 3.18 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     L  8.52 4.24 0.00 1.71 1.64 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00