NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Y  4.4404 8.1444 118.3665 57.4856 39.3548 174.4606
  2     Q  3.9671 8.6295 123.9616 55.8310 29.7632 174.0479
  3     S  4.7944 9.1611 120.9052 56.7773 66.2323 173.2547
  4     K  4.4008 8.2705 121.8597 54.9042 32.6833 177.1178
  5     L  4.1741 8.5002 123.0807 55.0773 41.5136 177.0053

  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     Y  8.14 4.44 0.00 2.99 3.02 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  8.63 3.97 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 
  3     S  9.16 4.79 0.00 3.90 3.76 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     K  8.27 4.40 0.00 1.74 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.40 7.81 
  5     L  8.50 4.17 0.00 1.64 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00