NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2557 8.3144 119.9970 56.6924 34.6920 176.1987
  2     R  3.9205 7.8112 119.5702 53.9763 30.5413 173.7498
  3     R  4.6456 8.8128 121.0543 54.6376 33.1879 174.4348
  4     R  4.1066 8.2538 117.8417 56.5987 30.6740 176.2447
  5     H  4.7724 8.4179 116.7575 53.1508 31.3424 172.1240
  6     P  4.4948 0.0000   0.0000 62.3424 31.9990 176.5947
  7     S  4.2963 8.4387 113.8991 59.0066 62.7546 174.4725

  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     K  8.31 4.26 0.00 1.88 2.01 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.44 7.81 
  2     R  7.81 3.92 0.00 1.88 1.88 0.00 3.25 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 
  3     R  8.81 4.65 0.00 1.83 1.79 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.38 0.00 
  4     R  8.25 4.11 0.00 1.80 1.90 0.00 3.14 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 
  5     H  8.42 4.77 0.00 3.04 3.20 0.00 5.90 0.00 0.00 0.00 0.00 7.01 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 4.49 0.00 2.18 2.06 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 
  7     S  8.44 4.30 0.00 3.89 3.82 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