NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2657 8.3149 121.7913 55.8672 33.3615 175.5963
  2     L  4.1479 8.2860 125.4521 51.8941 42.3449 174.5825
  3     P  4.3781 0.0000   0.0000 62.5245 32.8288 176.3126
  4     A  4.0811 8.2696 122.0196 53.9567 18.7559 177.8893
  5     Q  4.3765 7.1956 113.2612 53.8626 31.8164 174.8523
  6     F  4.4774 7.7944 118.1643 55.7912 42.7780 173.8177
  7     Y  4.7607 8.4658 120.1891 56.3511 40.6514 175.2385
  8     I  4.4026 8.2374 121.7891 59.6600 38.2947 176.2079
  9     L  4.2264 8.5336 124.6051 55.0196 41.5428 177.0371

  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 4.27 0.00 1.74 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 
  2     L  8.29 4.15 0.00 1.85 1.77 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 
  3     P  0.00 4.38 0.00 1.89 1.96 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 
  4     A  8.27 4.08 1.23 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 0.00 0.00 
  5     Q  7.20 4.38 0.00 1.50 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 
  6     F  7.79 4.48 0.00 2.92 2.85 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     Y  8.47 4.76 0.00 3.01 2.87 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 
  8     I  8.24 4.40 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.95 0.00 0.00 
  9     L  8.53 4.23 0.00 1.67 1.60 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00