NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.3503 8.3049 120.3093 55.2714 32.6942 174.4203
  2     W  4.9510 8.1136 124.6579 52.7598 33.2005 172.2840
  3     P  4.3651 0.0000   0.0000 63.4993 32.4207 176.5850
  4     V  3.1655 7.1660 113.0892 59.7184 30.3620 174.4030
  5     D  4.9464 8.2329 122.5877 50.5843 42.7315 173.6757
  6     P  4.4077 0.0000   0.0000 63.1606 31.5114 176.0719

  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     M  8.30 4.35 0.00 1.62 1.90 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 
  2     W  8.11 4.95 0.00 3.34 3.03 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     P  0.00 4.37 0.00 2.23 2.11 0.00 4.09 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 
  4     V  7.17 3.17 2.10 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 0.75 0.00 0.00 0.96 0.00 0.00 
  5     D  8.23 4.95 0.00 2.72 2.64 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 4.41 0.00 2.20 2.07 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00