NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2645 8.2993 121.7884 56.0451 33.3727 175.3991
  2     V  3.7276 8.1557 125.7840 58.7477 32.3261 173.6754
  3     P  4.4757 0.0000   0.0000 62.7054 33.0352 176.7422
  4     R  4.5527 8.1368 118.4149 54.4721 31.7483 176.4256
  5     N  4.7294 8.5548 119.9849 53.2733 40.7176 177.0108
  6     Q  4.3975 7.8273 119.9316 55.5691 27.7840 178.8142
  7     D  4.0729 8.1238 112.1994 53.4235 41.4818 175.3351
  8     W  4.5517 7.8669 123.9769 56.2343 29.9170 176.4231
  9     L  4.2402 8.5987 118.6791 55.4021 41.0167 177.4472

  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     K  8.30 4.26 0.00 1.73 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 
  2     V  8.16 3.73 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 
  3     P  0.00 4.48 0.00 2.20 2.09 0.00 3.74 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 1.99 1.98 0.00 
  4     R  8.14 4.55 0.00 1.78 1.86 0.00 3.19 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 
  5     N  8.55 4.73 0.00 2.72 2.74 0.00 0.00 6.94 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  7.83 4.40 0.00 1.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.98 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 
  7     D  8.12 4.07 0.00 2.55 2.49 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  7.87 4.55 0.00 3.55 2.97 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  8.60 4.24 0.00 1.70 1.64 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00