NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.2282 8.2549 117.2777 55.7187 30.6997 174.8792
  2     R  4.0298 8.1426 118.4835 54.0775 30.9146 174.2579
  3     R  4.6679 8.7087 116.0940 53.8326 33.0213 175.3543
  4     W  4.3369 8.4772 118.5863 57.1311 29.6909 176.5022
  5     H  4.6294 8.4308 119.8368 55.2653 29.7898 173.0035
  6     R  3.9402 6.9660 121.5154 55.9791 30.1150 176.6442
  7     W  4.8054 7.4124 119.2398 54.9241 30.7155 176.2057
  8     R  4.2934 8.5262 122.3007 55.6200 30.4452 176.6267
  9     L  4.2247 8.4755 119.0605 55.3403 41.5712 177.2937

  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 4.23 0.00 1.89 1.98 0.00 2.98 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 
  2     R  8.14 4.03 0.00 1.71 1.77 0.00 3.00 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 
  3     R  8.71 4.67 0.00 2.00 1.94 0.00 3.16 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 
  4     W  8.48 4.34 0.00 3.22 3.08 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 0.00 0.00 0.00 0.00 
  5     H  8.43 4.63 0.00 3.18 3.27 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  6     R  6.97 3.94 0.00 1.49 1.48 0.00 2.55 0.00 0.00 2.72 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 
  7     W  7.41 4.81 0.00 3.47 3.07 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     R  8.53 4.29 0.00 1.87 1.92 0.00 3.42 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 
  9     L  8.48 4.22 0.00 1.67 1.62 0.94 0.87 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