NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2653 8.2993 121.7884 56.0197 33.3556 175.4359
  2     V  3.7064 8.1696 125.9102 58.8213 32.2767 173.6583
  3     P  4.4894 0.0000   0.0000 62.6573 33.0676 176.7312
  4     R  4.5735 8.1245 118.2792 54.3688 31.8589 176.3514
  5     N  4.6918 8.5646 120.0924 53.3359 40.5831 176.2584
  6     Q  4.4692 7.8072 121.7149 55.4273 27.5496 178.8230
  7     D  4.0762 8.2970 112.6243 53.3686 41.4420 175.4282
  8     W  4.5397 7.8962 124.0930 56.2544 29.8966 176.4019
  9     L  4.2373 8.6079 118.7376 55.4166 41.0130 177.4477

  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 4.27 0.00 1.73 1.79 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  8.17 3.71 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 4.49 0.00 2.20 2.09 0.00 3.73 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 
  4     R  8.12 4.57 0.00 1.78 1.86 0.00 3.20 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 1.53 1.61 0.00 
  5     N  8.56 4.69 0.00 2.72 2.74 0.00 0.00 6.98 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  7.81 4.47 0.00 1.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 
  7     D  8.30 4.08 0.00 2.56 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  7.90 4.54 0.00 3.53 2.96 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  8.61 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 1.65 0.00 0.00 0.00 0.00 0.00 0.00