PDBx/mmCIF
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Data Category pdbx_vrpt_instance_intra_angle_outliers

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General

Category name
pdbx_vrpt_instance_intra_angle_outliers
Required in PDB entries
no
Category group membership
validation_report_group
Used in current PDB entries
No

Category Relationship Diagrams

70
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Category Description 

 
            Bond angle outlier for standard amino acid or nucleic acid in comparison to the
            Engh and Huber EH99 parameters, Parkinson et al. parameter set.
            It involves three atoms. The obsval, mean, mindiff, stdev will all be in degrees.

Category Example

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    loop_
    _pdbx_vrpt_instance_intra_angle_outliers.ordinal
    _pdbx_vrpt_instance_intra_angle_outliers.instance_id
    _pdbx_vrpt_instance_intra_angle_outliers.atom_1
    _pdbx_vrpt_instance_intra_angle_outliers.atom_2
    _pdbx_vrpt_instance_intra_angle_outliers.atom_3
    _pdbx_vrpt_instance_intra_angle_outliers.obs
    _pdbx_vrpt_instance_intra_angle_outliers.mean
    _pdbx_vrpt_instance_intra_angle_outliers.stdev
    _pdbx_vrpt_instance_intra_angle_outliers.Z
    _pdbx_vrpt_instance_intra_angle_outliers.link
     1    20  N9     "C1'"  "C2'"  120.758  114.000  1.300   5.20  ?     
     2    37  "C2'"  "C3'"  "O3'"  121.832  113.700  1.600   5.08  ?

Key Data Items

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