NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     R  4.3166 8.2549 120.8610 56.1823 31.2788 174.2681
  3     Q  4.3934 8.3678 119.0570 53.8765 31.6355 174.0714
  4     M  4.5345 8.3912 122.3903 53.6837 35.2608 175.0861
  5     S  4.7287 8.2488 114.6315 57.5727 64.6452 172.9876
  6     F  5.0367 7.7286 114.9269 55.5537 40.7584 173.8538
  7     R  4.5193 8.4299 119.0369 54.4278 33.1601 175.7005
  8     L  4.3255 8.7101 121.5514 55.0874 41.7803 176.6743

  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     R  8.25 4.32 0.00 1.79 1.92 0.00 3.15 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 
  3     Q  8.37 4.39 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 
  4     M  8.39 4.53 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 
  5     S  8.25 4.73 0.00 3.91 3.84 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     F  7.73 5.04 0.00 3.13 3.00 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     R  8.43 4.52 0.00 1.79 1.84 0.00 3.32 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 
  8     L  8.71 4.33 0.00 1.73 1.64 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00