NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     R  4.1590 8.2544 120.8601 55.8676 31.1997 174.5808
  3     K  4.0090 8.4982 125.6203 54.6235 32.3068 174.3773
  4     R  4.4385 8.2868 127.5489 55.1416 32.0469 174.9459
  5     R  4.6784 8.0351 119.8069 54.2788 32.6730 174.8618
  6     R  4.2094 8.2037 117.7556 56.2745 30.9070 176.2403
  7     H  4.7339 8.3256 115.6625 53.4334 31.4300 172.1706
  8     P  4.4561 0.0000   0.0000 62.3272 31.9532 176.9029
  9     S  4.3143 8.4616 115.0765 59.0593 62.7668 174.4768

  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 4.16 0.00 1.79 1.90 0.00 3.20 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 
  3     K  8.50 4.01 0.00 2.09 1.71 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.40 1.06 7.81 
  4     R  8.29 4.44 0.00 1.81 1.80 0.00 3.24 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 
  5     R  8.04 4.68 0.00 1.80 1.77 0.00 3.01 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.34 0.00 
  6     R  8.20 4.21 0.00 1.80 1.89 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 
  7     H  8.33 4.73 0.00 3.04 3.19 0.00 5.90 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  8     P  0.00 4.46 0.00 2.04 1.99 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 
  9     S  8.46 4.31 0.00 3.86 3.78 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