NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.4193 8.3193 115.4020 58.1168 64.3708 172.0441
  3     L  4.6600 7.9463 119.1546 53.1548 43.0536 174.1374
  4     W  4.6136 9.3875 121.2776 55.5433 31.1307 177.7579
  5     N  4.8077 8.8058 120.7284 53.1857 40.1529 176.3415
  6     G  4.2273 8.1209 113.0502 44.3844  0.0000 176.0239
  7     P  4.2416 0.0000   0.0000 62.6100 31.6264 175.5086
  8     H  4.5497 8.2978 117.9940 55.1709 29.5221 175.7149
  9     L  4.1754 8.5290 119.7531 55.5275 41.4115 177.5223

  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     S  8.32 4.42 0.00 3.87 3.90 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 
  3     L  7.95 4.66 0.00 1.85 1.65 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 
  4     W  9.39 4.61 0.00 3.29 3.17 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  8.81 4.81 0.00 2.79 2.79 0.00 0.00 7.02 7.65 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     G  8.12 4.23 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 0.00 
  7     P  0.00 4.24 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.64 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 
  8     H  8.30 4.55 0.00 3.14 3.24 0.00 5.91 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  9     L  8.53 4.18 0.00 1.65 1.62 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00