Changeset 818 for trunk/GSASIIdata.py


Ignore:
Timestamp:
Dec 20, 2012 12:15:43 PM (9 years ago)
Author:
vondreele
Message:

complete restraint GUI stuff
provide restraint plots for torsions & Ramachandran

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIdata.py

    r817 r818  
    1111import numpy as np
    1212
    13 ramachandranDist = np.array([
    14  0,8,15,15,12,9,6,5,6,5,7,13,9,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,
    15  0,1,0,0,3,3,7,5,7,2,3,3,7,4,4,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,
    16  0,0,0,0,1,3,1,2,2,3,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,
    17  0,0,0,0,0,1,0,0,2,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,
    18  0,0,0,1,1,0,0,0,0,1,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
    19  0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0,
    20  0,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,
    21  0,0,0,0,0,0,0,1,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
    22  0,0,0,0,0,0,1,0,0,2,2,2,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
    23  0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
    24  0,0,0,0,1,0,0,2,1,2,2,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0,0,
    25  0,1,0,0,0,0,0,0,2,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
    26  0,0,0,0,0,1,0,0,1,1,2,1,0,0,1,1,1,0,1,2,2,0,1,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
    27  1,0,0,0,1,0,1,1,0,2,2,0,3,1,1,3,2,4,1,2,1,1,1,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,
    28  0,0,0,1,0,1,1,3,2,6,4,4,3,3,2,3,14,7,14,9,5,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,
    29  0,0,1,0,0,1,4,2,2,3,7,10,9,8,27,32,120,181,74,25,3,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,
    30  0,0,0,1,0,0,0,3,3,5,6,13,18,24,48,254,1062,797,123,20,3,1,0,0,1,0,0,0,0,0,0,0,0,2,0,0,0,0,1,0,0,0,0,0,0,
    31  0,0,0,0,0,0,1,3,3,3,10,15,26,54,100,537,1687,731,86,8,0,0,0,0,0,0,0,0,0,0,0,0,1,2,0,0,0,0,0,0,0,2,1,0,0,
    32  0,0,0,0,1,0,1,4,1,10,14,19,40,52,126,423,643,267,32,5,0,1,0,0,0,0,0,0,0,0,0,0,1,1,1,1,0,0,0,0,0,0,0,0,0,
    33  0,0,0,0,0,0,1,0,6,13,20,28,48,66,124,225,357,128,8,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,
    34  0,0,0,0,0,1,1,5,8,29,41,46,52,88,119,177,154,34,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,
    35  0,0,0,0,0,0,2,1,11,19,32,43,82,121,120,115,39,6,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,0,0,1,0,1,0,0,0,0,0,
    36  0,0,0,0,0,0,0,4,21,19,42,65,104,108,83,34,8,3,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,8,4,1,0,0,0,0,0,0,0,0,0,
    37  0,0,0,0,1,2,5,3,18,30,40,72,98,63,17,6,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,10,5,1,0,0,0,0,0,0,0,0,0,
    38  0,1,0,0,0,1,5,10,19,37,42,65,51,22,6,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,18,17,0,0,0,0,0,0,0,0,0,0,1,
    39  0,0,0,0,0,1,3,6,10,28,24,32,11,6,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0,3,18,24,4,0,0,0,0,0,0,0,0,0,0,0,
    40  0,0,0,0,0,1,3,12,12,18,14,5,5,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,9,31,34,7,1,0,0,0,0,0,0,0,0,0,0,
    41  0,0,0,0,0,0,2,4,7,7,6,3,5,1,3,0,1,0,1,0,0,0,0,0,0,0,0,0,0,5,34,50,25,3,0,0,0,0,0,0,0,0,0,1,0,
    42  0,0,0,0,0,1,5,2,5,4,5,5,3,0,1,2,0,0,0,0,0,0,0,0,0,0,1,0,1,7,36,33,13,1,1,0,0,0,0,0,0,0,0,0,0,
    43  0,0,0,1,0,0,2,10,8,2,1,1,6,10,8,0,0,0,0,0,0,0,0,0,0,0,0,0,1,7,16,14,2,0,0,0,0,0,0,0,0,0,0,0,0,
    44  0,0,0,0,0,6,5,8,13,7,3,0,13,5,13,2,0,0,0,0,0,0,0,0,0,0,0,0,0,5,7,6,1,0,0,0,0,0,0,1,0,0,1,0,0,
    45  0,0,1,1,4,4,7,15,13,7,4,1,8,21,15,2,0,0,0,0,1,0,0,0,0,0,0,0,1,2,2,3,0,0,1,0,0,0,0,0,0,0,0,0,0,
    46  0,0,1,0,2,4,8,13,19,9,8,5,13,16,10,6,2,0,0,0,0,1,0,1,0,0,0,0,0,1,0,1,1,1,0,1,0,0,0,0,0,0,0,0,1,
    47  0,0,1,2,2,4,10,12,11,16,8,10,19,16,14,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,3,0,0,
    48  1,0,0,2,2,4,3,8,9,27,15,8,17,31,15,3,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,
    49  0,0,0,4,1,7,12,20,31,40,37,50,54,47,27,11,3,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,
    50  1,0,1,0,5,5,14,21,46,53,88,90,75,58,48,24,19,4,3,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
    51  0,1,1,4,6,12,15,50,88,130,137,127,113,108,72,61,36,23,10,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,1,0,
    52  0,0,0,4,10,28,43,91,131,163,202,142,128,125,135,93,94,73,24,7,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,
    53  0,1,2,5,19,37,73,118,152,164,148,145,119,90,103,145,112,102,27,3,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,1,0,
    54  0,0,2,11,24,52,85,128,110,150,96,91,77,84,124,126,132,65,18,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,
    55  1,0,4,23,43,84,112,146,132,107,86,70,56,74,93,103,85,33,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,
    56  0,2,1,29,67,89,96,123,121,72,53,56,51,49,75,69,36,12,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
    57  0,0,8,23,53,67,55,74,68,33,23,26,31,32,61,40,10,5,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
    58  1,0,5,10,17,36,33,27,34,24,19,24,16,18,15,6,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,1,
    59 ],dtype=float)
     13ramachandranDist = {'All':np.array([
     140,8,15,15,12,9,6,5,6,5,7,13,9,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,
     150,1,0,0,3,3,7,5,7,2,3,3,7,4,4,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,
     160,0,0,0,1,3,1,2,2,3,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,
     170,0,0,0,0,1,0,0,2,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,
     180,0,0,1,1,0,0,0,0,1,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
     190,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0,
     200,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,
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     220,0,0,0,0,0,1,0,0,2,2,2,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
     230,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
     240,0,0,0,1,0,0,2,1,2,2,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0,0,
     250,1,0,0,0,0,0,0,2,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     260,0,0,0,0,1,0,0,1,1,2,1,0,0,1,1,1,0,1,2,2,0,1,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
     271,0,0,0,1,0,1,1,0,2,2,0,3,1,1,3,2,4,1,2,1,1,1,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,
     280,0,0,1,0,1,1,3,2,6,4,4,3,3,2,3,14,7,14,9,5,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,
     290,0,1,0,0,1,4,2,2,3,7,10,9,8,27,32,120,181,74,25,3,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,
     300,0,0,1,0,0,0,3,3,5,6,13,18,24,48,254,1062,797,123,20,3,1,0,0,1,0,0,0,0,0,0,0,0,2,0,0,0,0,1,0,0,0,0,0,0,
     310,0,0,0,0,0,1,3,3,3,10,15,26,54,100,537,1687,731,86,8,0,0,0,0,0,0,0,0,0,0,0,0,1,2,0,0,0,0,0,0,0,2,1,0,0,
     320,0,0,0,1,0,1,4,1,10,14,19,40,52,126,423,643,267,32,5,0,1,0,0,0,0,0,0,0,0,0,0,1,1,1,1,0,0,0,0,0,0,0,0,0,
     330,0,0,0,0,0,1,0,6,13,20,28,48,66,124,225,357,128,8,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,
     340,0,0,0,0,1,1,5,8,29,41,46,52,88,119,177,154,34,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,
     350,0,0,0,0,0,2,1,11,19,32,43,82,121,120,115,39,6,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,0,0,1,0,1,0,0,0,0,0,
     360,0,0,0,0,0,0,4,21,19,42,65,104,108,83,34,8,3,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,8,4,1,0,0,0,0,0,0,0,0,0,
     370,0,0,0,1,2,5,3,18,30,40,72,98,63,17,6,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,10,5,1,0,0,0,0,0,0,0,0,0,
     380,1,0,0,0,1,5,10,19,37,42,65,51,22,6,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,18,17,0,0,0,0,0,0,0,0,0,0,1,
     390,0,0,0,0,1,3,6,10,28,24,32,11,6,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0,3,18,24,4,0,0,0,0,0,0,0,0,0,0,0,
     400,0,0,0,0,1,3,12,12,18,14,5,5,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,9,31,34,7,1,0,0,0,0,0,0,0,0,0,0,
     410,0,0,0,0,0,2,4,7,7,6,3,5,1,3,0,1,0,1,0,0,0,0,0,0,0,0,0,0,5,34,50,25,3,0,0,0,0,0,0,0,0,0,1,0,
     420,0,0,0,0,1,5,2,5,4,5,5,3,0,1,2,0,0,0,0,0,0,0,0,0,0,1,0,1,7,36,33,13,1,1,0,0,0,0,0,0,0,0,0,0,
     430,0,0,1,0,0,2,10,8,2,1,1,6,10,8,0,0,0,0,0,0,0,0,0,0,0,0,0,1,7,16,14,2,0,0,0,0,0,0,0,0,0,0,0,0,
     440,0,0,0,0,6,5,8,13,7,3,0,13,5,13,2,0,0,0,0,0,0,0,0,0,0,0,0,0,5,7,6,1,0,0,0,0,0,0,1,0,0,1,0,0,
     450,0,1,1,4,4,7,15,13,7,4,1,8,21,15,2,0,0,0,0,1,0,0,0,0,0,0,0,1,2,2,3,0,0,1,0,0,0,0,0,0,0,0,0,0,
     460,0,1,0,2,4,8,13,19,9,8,5,13,16,10,6,2,0,0,0,0,1,0,1,0,0,0,0,0,1,0,1,1,1,0,1,0,0,0,0,0,0,0,0,1,
     470,0,1,2,2,4,10,12,11,16,8,10,19,16,14,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,3,0,0,
     481,0,0,2,2,4,3,8,9,27,15,8,17,31,15,3,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,
     490,0,0,4,1,7,12,20,31,40,37,50,54,47,27,11,3,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,
     501,0,1,0,5,5,14,21,46,53,88,90,75,58,48,24,19,4,3,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,
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     16200,0,0,0,0,0,2,6,1,0,0,1,0,0,0,0,0,0,1,0,6,23,16,12,7,3,0,1,0,0,0,0,0,1,3,9,12,14,4,0,0,0,0,0,0,
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     16220,0,0,0,0,0,1,4,1,0,0,1,0,0,0,0,0,0,0,0,0,2,5,1,0,0,0,0,0,0,0,0,0,0,2,2,8,6,3,0,0,0,0,0,0,
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     16250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16260,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16270,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16280,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16310,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16330,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16340,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16350,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16360,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16370,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16380,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16390,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16400,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16410,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16420,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16430,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,
     16440,0,0,0,1,0,1,6,2,2,0,0,1,0,0,0,0,0,0,0,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,1,11,7,3,0,0,0,0,0,0,
     16450,0,0,0,1,2,3,5,11,3,2,1,0,0,0,0,0,0,0,0,3,6,11,8,1,0,0,0,0,0,0,0,0,1,3,13,29,29,9,4,0,0,0,0,0,
     16460,0,0,0,0,0,2,3,4,2,2,2,0,0,0,0,0,0,0,0,1,1,1,4,2,0,0,0,0,0,0,0,1,4,5,10,19,27,5,5,0,0,0,0,0,
     16470,0,0,0,0,1,0,1,1,2,0,0,0,0,0,0,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,2,2,6,16,14,10,1,0,0,0,0,0,
     16480,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,5,4,10,4,4,0,0,0,0,0,
     16490,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,5,5,4,4,1,0,0,0,1,0,
     16500,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,10,4,2,1,1,0,0,0,0,
     16510,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,2,4,5,4,1,0,0,0,0,0,
     16520,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,4,2,0,0,0,0,0,0,0,
     16530,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,
     16540,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,3,5,2,0,0,0,0,0,0,0,
     16550,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,2,0,0,0,0,0,0,0,0,0
     1656],dtype=float),}
     1657torsionDist = {
     1658'ARG-3':np.array([2,1,0,2,2,6,14,25,18,13,5,6,2,1,0,1,2,1,7,6,25,69,82,83,47,26,16,10,6,5,4,7,6,23,44,101,146,137,73,27,11,5,3,2,2],dtype=float),
     1659'ARG-4':np.array([1,4,1,4,6,18,16,46,50,25,16,24,11,16,6,3,7,16,14,22,38,80,104,84,47,30,19,12,9,7,8,14,15,20,27,39,83,51,31,20,9,5,6,2,2],dtype=float),
     1660'ARG-5':np.array([1,1,1,0,3,5,5,6,18,35,47,43,34,18,26,22,32,25,35,39,49,53,50,58,51,40,34,24,24,19,20,35,33,50,56,37,15,7,7,2,1,1,0,4,1],dtype=float),
     1661'ASN-3':np.array([0,0,0,3,4,7,24,57,59,29,8,1,1,0,1,0,0,1,0,1,13,20,82,97,58,31,19,10,7,7,7,9,13,25,72,150,180,132,60,16,6,4,1,3,0],dtype=float),
     1662'ASP-3':np.array([0,2,0,3,4,23,28,99,77,25,1,4,1,1,1,0,2,0,0,3,12,49,130,130,82,48,22,8,4,6,7,10,10,23,79,195,249,160,45,15,5,2,0,1,1],dtype=float),
     1663'CYS-3':np.array([0,0,1,0,0,3,11,17,19,2,3,1,0,0,0,0,0,1,0,1,12,27,43,35,14,9,2,0,0,2,0,0,4,7,10,54,86,62,41,8,5,1,1,0,0],dtype=float),
     1664'CYS-4':np.array([0,0,0,0,0,0,0,2,6,16,24,32,36,11,6,0,0,0,2,2,0,0,0,0,0,0,0,0,2,0,2,0,12,32,53,32,2,0,0,0,0,0,0,0,0],dtype=float),
     1665'GLN-3':np.array([0,1,4,1,3,8,9,15,16,9,4,1,3,1,0,0,2,1,5,5,16,56,70,71,29,10,14,7,8,10,3,10,8,16,38,77,155,121,61,19,7,5,4,1,0],dtype=float),
     1666'GLU-3':np.array([5,7,2,6,5,10,26,30,25,24,9,3,0,3,0,2,1,3,8,14,33,55,94,107,57,31,19,17,15,8,10,9,10,23,63,147,251,154,81,37,15,11,5,4,8],dtype=float),
     1667'HIS-3':np.array([0,1,0,0,1,11,8,20,15,14,3,1,0,0,0,0,0,0,0,2,10,23,51,41,32,6,5,2,0,1,0,1,3,4,23,53,67,84,43,7,3,1,1,1,1],dtype=float),
     1668'ILE-3':np.array([1,1,2,1,2,6,26,80,53,12,10,5,1,2,3,2,2,1,0,1,3,8,24,38,36,15,5,1,1,6,1,4,3,7,24,126,327,308,150,37,7,2,0,0,0],dtype=float),
     1669'LEU-3':np.array([0,0,0,1,0,1,4,4,4,6,3,0,2,0,0,0,1,0,0,9,32,132,208,136,58,29,32,28,21,15,26,43,52,80,89,182,364,330,143,33,8,1,0,0,1],dtype=float),
     1670'LYS-3':np.array([1,2,2,4,5,8,19,35,28,15,12,2,5,0,3,2,6,6,7,13,24,63,127,106,63,30,22,10,10,16,8,17,27,39,79,152,209,193,84,42,18,6,4,5,2],dtype=float),
     1671'LYS-4':np.array([1,0,3,4,9,7,20,27,33,27,19,9,14,14,11,11,22,27,51,69,93,164,220,168,106,62,48,35,26,10,6,19,13,11,21,31,33,32,13,15,5,2,3,0,0],dtype=float),
     1672'LYS-5':np.array([2,3,8,9,5,16,15,44,43,29,20,17,19,13,7,16,18,40,48,62,91,145,176,129,86,73,40,27,21,10,16,15,13,28,17,41,33,40,28,15,14,6,4,3,5],dtype=float),
     1673'MET-3':np.array([0,0,2,1,1,5,6,7,14,9,5,0,0,1,0,0,1,2,0,5,8,22,37,37,22,10,7,2,4,2,2,3,8,8,18,57,101,79,30,11,0,2,0,0,0],dtype=float),
     1674'MET-4':np.array([1,2,1,1,4,11,7,32,27,40,10,20,18,9,5,1,3,5,3,7,11,15,17,18,16,5,7,6,6,3,5,9,15,20,25,36,35,35,15,6,3,4,5,3,0],dtype=float),
     1675'PHE-3':np.array([1,0,0,1,0,3,29,41,44,16,5,0,0,0,0,0,1,0,0,4,25,68,110,80,44,17,5,0,1,1,2,2,4,12,48,76,169,157,71,17,4,3,2,1,0],dtype=float),
     1676'SER-3':np.array([4,4,5,6,11,30,106,196,196,110,65,21,5,3,4,3,1,5,9,14,36,83,112,84,36,16,9,5,9,7,13,3,9,20,31,76,146,118,89,29,14,3,3,0,4],dtype=float),
     1677'THR-3':np.array([2,3,2,7,9,26,122,218,192,90,20,6,3,0,1,2,4,1,2,1,3,13,24,38,25,6,5,3,1,0,1,8,3,7,10,31,131,288,168,45,16,8,0,1,5],dtype=float),
     1678'TRP-3':np.array([0,0,0,0,0,5,9,24,9,9,4,0,1,0,0,0,0,0,0,2,12,28,35,30,8,2,0,0,2,0,0,1,1,6,14,42,57,31,12,9,3,0,0,0,0],dtype=float),
     1679'TYR-3':np.array([0,0,1,0,2,5,17,43,34,12,5,5,3,0,0,0,1,0,1,6,26,85,106,73,28,8,3,2,0,0,0,0,3,15,28,81,158,145,57,17,2,0,0,1,0],dtype=float),
     1680'VAL-3':np.array([5,5,2,1,4,7,20,26,28,24,9,2,7,8,9,6,6,4,14,53,193,471,420,130,25,4,3,1,3,0,1,4,1,3,7,33,132,133,70,15,7,1,2,7,4],dtype=float),
     1681'OMEG':np.array([31,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,29,293,3599,19507,2474,170,13,1,1,0,0,0,0,1,0,1,0,0,0,1,0,0,0,1,4,28],dtype=float),
     1682'OCCO':np.array([442,2960,2076,1320,844,334,154,82,55,39,34,48,76,74,48,47,62,39,49,103,131,330,566,757,706,769,
     1683        579,437,385,442,584,629,322,82,33,21,27,35,70,106,145,221,185,101,137])}
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