NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.4117 8.3049 120.3226 55.1089 32.3797 174.3517
  2     W  4.9887 8.2504 124.8396 53.2915 33.3356 172.9893
  3     P  4.2933 0.0000   0.0000 62.8450 32.2124 176.5693
  4     V  3.6234 8.4800 114.7341 62.1724 31.8362 175.3344
  5     D  4.9480 8.5504 124.3135 50.9382 41.3884 174.5748
  6     P  4.4367 0.0000   0.0000 63.0598 31.6398 175.6125

  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     M  8.30 4.41 0.00 1.70 1.96 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 
  2     W  8.25 4.99 0.00 3.31 3.05 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     P  0.00 4.29 0.00 2.13 2.08 0.00 4.04 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 
  4     V  8.48 3.62 2.10 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 0.74 0.00 0.00 0.95 0.00 0.00 
  5     D  8.55 4.95 0.00 2.77 2.66 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     P  0.00 4.44 0.00 2.20 2.07 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00