NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4152 8.3349 115.2939 57.8026 63.5213 173.6371
  2     Q  4.0675 8.6096 126.3848 55.3144 29.3197 173.5768
  3     Y  4.4441 8.1389 120.5918 56.2623 41.1050 175.0619
  4     Y  4.0761 7.0950 126.8503 56.1679 37.6607 174.2397
  5     Y  4.3264 7.7230 124.0195 57.8102 38.8541 176.1147
  6     N  4.7994 8.5703 122.2906 52.5517 41.4592 173.7445
  7     S  4.7015 8.3444 112.8921 57.4864 64.4684 174.2823
  8     L  4.2506 8.3457 122.3206 55.0809 41.5404 176.7462

  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     S  8.33 4.42 0.00 3.86 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 
  2     Q  8.61 4.07 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 
  3     Y  8.14 4.44 0.00 2.60 2.12 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     Y  7.09 4.08 0.00 2.64 2.42 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  7.72 4.33 0.00 2.93 2.88 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     N  8.57 4.80 0.00 2.75 2.85 0.00 0.00 7.03 7.63 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     S  8.34 4.70 0.00 3.91 3.77 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     L  8.35 4.25 0.00 1.63 1.57 0.90 0.85 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