NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  3     K  4.2888 8.3144 122.1407 54.3944 33.1894 174.4037
  4     R  4.5375 8.4963 124.8667 51.6052 31.8340 173.5358
  5     R  4.6951 8.9119 121.3363 54.0290 33.5870 174.6764
  6     R  4.0762 8.3297 118.0635 56.6736 30.6809 176.4387
  7     H  4.7117 8.3549 116.2192 53.2714 30.9354 171.9746
  8     P  4.3934 0.0000   0.0000 62.5724 31.8948 176.9909
  9     S  4.3107 8.4857 114.9058 59.0612 62.7404 174.4644

  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   
  3     K  8.31 4.29 0.00 1.79 1.69 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 
  4     R  8.50 4.54 0.00 1.82 1.83 0.00 3.15 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 1.52 1.69 0.00 
  5     R  8.91 4.70 0.00 1.81 1.78 0.00 3.03 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.00 
  6     R  8.33 4.08 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 
  7     H  8.35 4.71 0.00 3.04 3.21 0.00 5.92 0.00 0.00 0.00 0.00 6.70 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 4.39 0.00 2.04 2.01 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 2.12 0.00 
  9     S  8.49 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