NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.3037 8.2544 117.2810 56.0646 30.9372 174.2288
  2     R  3.7984 8.6612 117.1518 58.2298 30.1401 176.2429
  3     T  4.2142 7.8425 106.4209 60.9995 70.7747 173.5230
  4     G  3.9833 8.1274 111.7375 43.3965  0.0000 173.0759
  5     A  4.1389 8.1845 121.7867 51.0314 18.8797 175.8627
  6     P  4.3306 0.0000   0.0000 62.2731 32.0820 174.7425
  7     P  4.3119 0.0000   0.0000 65.1275 31.3739 176.7565
  8     A  4.6298 7.7918 119.1525 50.1833 21.5472 175.5545
  9     L  4.3625 8.4939 122.3927 55.9299 40.6836 176.4011

  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     R  8.25 4.30 0.00 1.93 2.06 0.00 3.01 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 1.49 1.79 0.00 
  2     R  8.66 3.80 0.00 1.87 1.99 0.00 3.23 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 
  3     T  7.84 4.21 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 
  4     G  8.13 3.98 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 0.00 
  5     A  8.18 4.14 1.25 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 
  6     P  0.00 4.33 0.00 2.05 2.01 0.00 3.72 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 
  7     P  0.00 4.31 0.00 2.03 2.14 0.00 3.62 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 2.04 2.12 0.00 
  8     A  7.79 4.63 1.19 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 
  9     L  8.49 4.36 0.00 1.69 1.59 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00