NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2510 8.4331 121.4701 55.7673 30.7723 175.5262
  2     G  3.6395 8.4905 114.8948 43.5658  0.0000 171.4154
  3     S  4.5289 9.0485 115.9091 56.9908 65.6087 172.2961
  4     R  4.4670 8.0866 120.1984 54.2007 30.8161 176.3619
  5     N  4.5445 8.6019 120.6720 53.5651 40.7481 175.6932
  6     Q  4.1581 8.2778 122.8545 56.2229 27.2557 178.7784
  7     D  3.8158 8.7164 109.8940 53.1140 41.9453 174.6017
  8     W  4.5332 7.0494 124.3663 56.0981 30.0177 176.4336
  9     L  4.2373 8.5156 118.2249 55.3981 41.0742 177.4415

  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     E  8.43 4.25 0.00 1.94 1.92 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 2.19 2.32 0.00 
  2     G  8.49 3.64 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 0.00 0.00 0.00 
  3     S  9.05 4.53 0.00 3.97 3.86 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 
  4     R  8.09 4.47 0.00 1.77 1.88 0.00 3.20 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 
  5     N  8.60 4.54 0.00 2.70 2.73 0.00 0.00 7.06 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  8.28 4.16 0.00 1.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 
  7     D  8.72 3.82 0.00 2.48 2.41 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  7.05 4.53 0.00 3.31 3.17 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  8.52 4.24 0.00 1.71 1.64 0.95 0.83 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