NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2971 8.2993 120.1330 56.1314 33.5051 175.4797
  2     V  3.6635 8.1388 123.1050 60.2469 32.3305 174.2415
  3     I  3.8105 8.4971 122.6066 60.7330 39.5739 176.3582
  4     T  4.1516 7.8271 120.7543 62.3841 69.0531 174.9453
  5     F  4.4841 8.5171 125.7402 56.7508 40.0093 175.2879
  6     I  4.4918 8.0380 117.5945 59.0704 40.0269 174.4058
  7     D  4.6484 8.3081 119.6816 53.8793 41.5078 176.7788
  8     L  4.2004 8.3924 121.4685 55.1692 41.7062 176.9480

  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 4.30 0.00 1.75 1.80 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 
  2     V  8.14 3.66 2.12 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 0.67 0.00 0.00 1.01 0.00 0.00 
  3     I  8.50 3.81 1.66 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.11 0.00 0.00 
  4     T  7.83 4.15 4.14 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 1.18 0.00 0.00 
  5     F  8.52 4.48 0.00 3.08 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 
  6     I  8.04 4.49 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.92 0.00 0.00 
  7     D  8.31 4.65 0.00 2.71 2.64 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     L  8.39 4.20 0.00 1.64 1.58 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00