C12CHK shows largely different values

between current what if version:
 Program  : WHAT IF
 Version  : 6.0 (20080412-0930)
and Sanders paper Fig.2(row3):
Nabuurs et al. Traditional biomolecular structure determination by NMR
spectroscopy allows for major errors. PLoS Comput Biol (2006) vol. 2 (2) pp. e9

See images attached to this issue.

CheckID   : ROTCHK
 Program  : WHAT IF
 Version  : 6.0 (20080412-0930)
 Text     : Sidechain rotamer normality check
 DocURL   : http://swift.cmbi.ru.nl/whatif/
 Date     : 2008-05-29
  Level   : RESIDUE   
   LText  : This option determines for every residue the position specific
   LText  : rotamer distribution. Thereafter it will be determined if the
   LText  : actual residue in the molecule has the most preferred rotamer or
   LText  : not. If the actual rotamer is the preferred one, the score is
   LText  : 1.0. If the actual rotamer is unique, the score is 0.0. If there
   LText  : are two preferred rotamers, with a population distribution of 3:2
   LText  : and your rotamer sits in the lesser populated rotamer, the score
   LText  : will be 0.66. No value will be given if insufficient hits are
   LText  : found in the database.
CheckID   : C12CHK
 Program  : WHAT IF
 Version  : 6.0 (20080412-0930)
 Text     : Chi-1/chi-2 rotamer normality check
 DocURL   : http://swift.cmbi.ru.nl/whatif/
 Date     : 2008-05-29
  Level   : RESIDUE   
   LText  : The following list contains per-residue Z-scores describing
   LText  : how well each rotamer fits into the common areas of the
   LText  : chi-2/chi-2 correlation plot.

But the values of my C12CHK and Sanders deviate quite a bit. Made into
issue for what if:

Original issue reported on code.google.com by jurge...@gmail.com on 30 May 2008 at 7:39

Attachments:

[Picture 1.png](https://storage.googleapis.com/google-code-attachments/cing/issue-68/comment-0/Picture 1.png)
1tgq_01_backbone_chi.png

jakesylvestre / cing

C12CHK shows largely different values #68