NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2476 8.3101 120.1370 56.1664 33.5350 175.2965
  2     A  4.1700 8.3470 125.6639 49.4676 19.3620 172.5262
  3     V  3.8852 8.0560 120.3045 61.6842 33.1168 173.5204
  4     Y  4.8399 7.9233 118.5821 55.1875 40.2158 175.3910
  5     N  4.8043 8.7769 120.6048 53.0589 40.7608 176.7605
  6     F  4.8858 7.9882 121.6278 57.6119 38.0047 178.3938
  7     A  4.0170 8.8949 120.4223 51.7230 18.3768 177.6333
  8     T  4.1893 8.1181 111.5189 61.2633 69.8245 174.5084
  9     M  4.2445 8.4046 120.1729 55.7772 31.9651 176.6553

  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 4.25 0.00 1.79 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 
  2     A  8.35 4.17 1.30 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 
  3     V  8.06 3.89 2.07 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 0.79 0.00 0.00 0.86 0.00 0.00 
  4     Y  7.92 4.84 0.00 3.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  5     N  8.78 4.80 0.00 2.81 2.86 0.00 0.00 6.90 7.45 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 
  6     F  7.99 4.89 0.00 2.83 2.23 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 
  7     A  8.89 4.02 1.28 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 
  8     T  8.12 4.19 4.24 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 1.21 0.00 0.00 
  9     M  8.40 4.24 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00