NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.3923 8.3193 115.4012 58.1392 64.3194 171.8157
  3     L  4.6504 8.0129 119.3188 53.2601 43.1262 173.8656
  4     W  4.7474 9.3346 120.4454 54.9573 31.4107 177.7608
  5     N  4.7646 8.8387 120.7771 53.3188 40.2240 175.9908
  6     G  4.0716 8.3071 111.5494 44.7266  0.0000 176.0038
  7     P  4.2560 0.0000   0.0000 62.5244 31.8418 175.6533
  8     H  4.4878 8.3039 118.1263 55.3250 29.4461 175.7064
  9     L  4.1662 8.6132 120.2592 55.5860 41.4312 177.4774

  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   
  2     S  8.32 4.39 0.00 3.87 3.90 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     L  8.01 4.65 0.00 1.86 1.66 1.01 0.65 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 
  4     W  9.33 4.75 0.00 3.23 3.14 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 0.00 
  5     N  8.84 4.76 0.00 2.79 2.80 0.00 0.00 7.01 7.65 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     G  8.31 4.07 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 0.00 0.00 0.00 
  7     P  0.00 4.26 0.00 2.04 1.99 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 
  8     H  8.30 4.49 0.00 3.16 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.94 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 4.17 0.00 1.65 1.63 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00