NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.2774 8.2549 117.2839 55.6584 30.7284 174.4464
  2     R  4.0519 8.2618 117.8330 54.9508 30.8449 174.3266
  3     R  4.4867 8.4242 119.4191 54.4256 32.1353 174.7700
  4     W  4.5270 8.8408 135.0000 56.4991 31.0786 175.1602
  5     R  3.9944 8.2802 126.4299 54.1188 30.6672 175.0695
  6     R  3.5569 7.1764 122.8894 58.0969 30.0242 177.4790
  7     L  3.9513 7.3701 118.6628 54.7210 42.0523 176.7289
  8     T  4.3800 8.1330 113.3934 60.2965 70.8398 175.1009
  9     V  3.8888 8.0471 119.9270 61.8137 31.7433 175.8495

  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     R  8.25 4.28 0.00 1.95 2.04 0.00 3.02 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 
  2     R  8.26 4.05 0.00 1.95 1.97 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 
  3     R  8.42 4.49 0.00 1.78 1.84 0.00 3.42 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 
  4     W  8.84 4.53 0.00 3.31 2.94 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 
  5     R  8.28 3.99 0.00 1.62 1.68 0.00 3.20 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 
  6     R  7.18 3.56 0.00 1.67 0.66 0.00 3.06 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.40 0.00 
  7     L  7.37 3.95 0.00 1.49 1.55 0.82 0.74 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 
  8     T  8.13 4.38 4.22 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 1.19 0.00 0.00 
  9     V  8.05 3.89 2.06 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 0.70 0.00 0.00 0.92 0.00 0.00