NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.4347 8.3049 120.3519 54.8792 33.3326 175.3212
  2     L  4.0498 8.4060 126.2034 53.4278 42.3933 175.2272
  3     W  4.5026 8.9174 131.7685 57.6431 32.1437 175.8703
  4     G  3.5662 8.4202 112.2459 45.4056  0.0000 173.2788
  5     Y  4.3630 5.7119 115.4134 55.9336 38.0755 175.0111
  6     L  3.5695 6.8107 121.9240 54.2793 43.5826 175.4642
  7     Q  4.3991 7.8991 123.3275 54.1068 31.9888 174.5809
  8     Y  4.3994 8.2742 121.9891 57.4984 38.8532 176.1351
  9     V  3.8719 8.4817 115.5284 61.9037 31.6066 176.1708

  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 4.43 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 
  2     L  8.41 4.05 0.00 1.76 1.62 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 
  3     W  8.92 4.50 0.00 3.17 3.11 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     G  8.42 3.57 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 
  5     Y  5.71 4.36 0.00 2.54 2.62 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     L  6.81 3.57 0.00 1.20 1.21 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 
  7     Q  7.90 4.40 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 
  8     Y  8.27 4.40 0.00 3.01 2.81 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     V  8.48 3.87 2.13 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 0.71 0.00 0.00 0.99 0.00 0.00