NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
475996 2kyy 16991 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2kyy


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              212
    _TA_constraint_stats_list.Viol_count                    464
    _TA_constraint_stats_list.Viol_total                    20940.79
    _TA_constraint_stats_list.Viol_max                      20.92
    _TA_constraint_stats_list.Viol_rms                      1.12
    _TA_constraint_stats_list.Viol_average_all_restraints   0.25
    _TA_constraint_stats_list.Viol_average_violations_only  2.26
    _TA_constraint_stats_list.Cutoff_violation_report       5.00
    _TA_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * ID of the restraint list.                                                                 
*  3 * Number of restraints in list.                                                             
*  4 * Number of violated restraints (each model violation is used).                             
*  5 * Sum of violations in degrees.                                                             
*  6 * Maximum violation of a restraint without averaging in any way.                            
*  7 * Rms of violations over all restraints.                                                    
*  8 *  Average violation over all restraints.                                                   
*  9 *  Average violation over violated restraints.                                              
            This violation is averaged over only those models in which the restraint is violated.
            Threshold for reporting violations (degrees) in the last columns of the next table.     
*  10 * This tag.                                                                                

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                             
*  2 * Torsion angle name where available.                             
*  3 *     First atom's:                                               
*  4 * Chain identifier (can be absent if none defined)                
*  5 * Residue number                                                  
*  6 * Residue name                                                    
*  7 * Name of (pseudo-)atom                                           
*  8 *  Second thru fourth atom's identifiers occupy columns 7 thru 18.
*  19 * Lower bound (degrees)                                               
*  20 * Upper bound (degrees)                                               
*  21 * Average angle in ensemble of models                                 
*  22 * Minimum angle in ensemble of models (counter clockwise from range)  
*  23 * Maximum angle in ensemble of models         (clockwise from range)  
*  24 * Maximum violation (without any averaging)                           
*  25 * Model number with the maximum violation                             
*  26 * Number of models with a violation above cutoff                      
*  27 * List of models with a violation above cutoff. See description above.
*  28 * Administrative tag                                                  
*  29 * Administrative tag                                                  

;


    loop_
       _TA_constraint_stats.Restraint_ID
       _TA_constraint_stats.Torsion_angle_name
       _TA_constraint_stats.Entity_assembly_ID_1
       _TA_constraint_stats.Comp_index_ID_1
       _TA_constraint_stats.Comp_ID_1
       _TA_constraint_stats.Atom_ID_1
       _TA_constraint_stats.Entity_assembly_ID_2
       _TA_constraint_stats.Comp_index_ID_2
       _TA_constraint_stats.Comp_ID_2
       _TA_constraint_stats.Atom_ID_2
       _TA_constraint_stats.Entity_assembly_ID_3
       _TA_constraint_stats.Comp_index_ID_3
       _TA_constraint_stats.Comp_ID_3
       _TA_constraint_stats.Atom_ID_3
       _TA_constraint_stats.Entity_assembly_ID_4
       _TA_constraint_stats.Comp_index_ID_4
       _TA_constraint_stats.Comp_ID_4
       _TA_constraint_stats.Atom_ID_4
       _TA_constraint_stats.Angle_lower_bound_val
       _TA_constraint_stats.Angle_upper_bound_val
       _TA_constraint_stats.Angle_average
       _TA_constraint_stats.Angle_minimum
       _TA_constraint_stats.Angle_maximum
       _TA_constraint_stats.Max_violation
       _TA_constraint_stats.Max_violation_model_number
       _TA_constraint_stats.Over_cutoff_violation_count
       _TA_constraint_stats.Over_cutoff_violation_per_model

         1 . 1   1 MET C 1   2 ARG N  1   2 ARG CA 1   2 ARG C  167.00  -33.00  -83.39 -109.39  174.43     .  .  0 "[    .    1    .    2]" 
         2 . 1   2 ARG N 1   2 ARG CA 1   2 ARG C  1   3 SER N   89.00 -167.00  151.88  149.22  146.43     .  .  0 "[    .    1    .    2]" 
         3 . 1   2 ARG C 1   3 SER N  1   3 SER CA 1   3 SER C -123.00  -59.00  -73.05  -75.73  -76.99  0.90  9  0 "[    .    1    .    2]" 
         4 . 1   3 SER N 1   3 SER CA 1   3 SER C  1   4 ALA N  153.00  177.00  156.96  159.36  157.63  2.51 10  0 "[    .    1    .    2]" 
         5 . 1   3 SER C 1   4 ALA N  1   4 ALA CA 1   4 ALA C  -68.00  -48.00  -61.92  -59.80  -61.01     .  .  0 "[    .    1    .    2]" 
         6 . 1   4 ALA N 1   4 ALA CA 1   4 ALA C  1   5 THR N  -53.00  -25.00  -37.18  -31.63  -32.99  0.61 19  0 "[    .    1    .    2]" 
         7 . 1   4 ALA C 1   5 THR N  1   5 THR CA 1   5 THR C  -71.00  -51.00  -66.04  -72.22  -57.15  1.22 13  0 "[    .    1    .    2]" 
         8 . 1   5 THR N 1   5 THR CA 1   5 THR C  1   6 ASP N  -51.00  -31.00  -41.17  -51.29  -28.78  2.22  3  0 "[    .    1    .    2]" 
         9 . 1   5 THR C 1   6 ASP N  1   6 ASP CA 1   6 ASP C  -72.00  -52.00  -63.87  -70.23  -72.00     .  .  0 "[    .    1    .    2]" 
        10 . 1   6 ASP N 1   6 ASP CA 1   6 ASP C  1   7 LEU N  -55.00  -35.00  -44.11  -35.44  -36.59  0.70  2  0 "[    .    1    .    2]" 
        11 . 1   6 ASP C 1   7 LEU N  1   7 LEU CA 1   7 LEU C  -73.00  -53.00  -67.51  -74.43  -59.64  1.43 19  0 "[    .    1    .    2]" 
        12 . 1   7 LEU N 1   7 LEU CA 1   7 LEU C  1   8 LEU N  -53.00  -29.00  -36.04  -36.79  -38.46  2.64 13  0 "[    .    1    .    2]" 
        13 . 1   7 LEU C 1   8 LEU N  1   8 LEU CA 1   8 LEU C  -71.00  -51.00  -63.04  -68.58  -52.04     .  .  0 "[    .    1    .    2]" 
        14 . 1   8 LEU N 1   8 LEU CA 1   8 LEU C  1   9 ASP N  -50.00  -30.00  -40.73  -44.94  -46.50  0.93  8  0 "[    .    1    .    2]" 
        15 . 1   8 LEU C 1   9 ASP N  1   9 ASP CA 1   9 ASP C  -71.00  -51.00  -61.44  -67.23  -52.90     .  .  0 "[    .    1    .    2]" 
        16 . 1   9 ASP N 1   9 ASP CA 1   9 ASP C  1  10 GLU N  -61.00  -29.00  -37.60  -38.91  -40.31     .  .  0 "[    .    1    .    2]" 
        17 . 1   9 ASP C 1  10 GLU N  1  10 GLU CA 1  10 GLU C  -73.00  -53.00  -67.08  -67.11  -67.66  1.34 20  0 "[    .    1    .    2]" 
        18 . 1  10 GLU N 1  10 GLU CA 1  10 GLU C  1  11 LEU N  -55.00  -31.00  -42.81  -52.94  -30.18  0.82 20  0 "[    .    1    .    2]" 
        19 . 1  10 GLU C 1  11 LEU N  1  11 LEU CA 1  11 LEU C  -85.00  -49.00  -59.69  -57.82  -59.13     .  .  0 "[    .    1    .    2]" 
        20 . 1  11 LEU N 1  11 LEU CA 1  11 LEU C  1  12 ASN N  -60.00  -20.00  -42.66  -55.78  -27.46     .  .  0 "[    .    1    .    2]" 
        21 . 1  11 LEU C 1  12 ASN N  1  12 ASN CA 1  12 ASN C -115.00  -43.00  -76.36  -69.01  -70.93     .  .  0 "[    .    1    .    2]" 
        22 . 1  12 ASN N 1  12 ASN CA 1  12 ASN C  1  13 ALA N  -49.00    7.00  -19.83  -26.38  -28.95     .  .  0 "[    .    1    .    2]" 
        23 . 1  13 ALA C 1  14 VAL N  1  14 VAL CA 1  14 VAL C -154.00  -50.00  -93.32 -117.54  -76.34     .  .  0 "[    .    1    .    2]" 
        24 . 1  14 VAL N 1  14 VAL CA 1  14 VAL C  1  15 ASP N  112.00 -164.00  140.78  116.54  163.71     .  .  0 "[    .    1    .    2]" 
        25 . 1  14 VAL C 1  15 ASP N  1  15 ASP CA 1  15 ASP C -111.00  -43.00  -71.62 -106.52  -43.85     .  .  0 "[    .    1    .    2]" 
        26 . 1  15 ASP N 1  15 ASP CA 1  15 ASP C  1  16 GLU N  -44.00    4.00  -30.04  -27.76  -33.33  3.48  6  0 "[    .    1    .    2]" 
        27 . 1  17 SER C 1  18 ALA N  1  18 ALA CA 1  18 ALA C -125.00  -21.00  -77.45 -102.63  -57.13     .  .  0 "[    .    1    .    2]" 
        28 . 1  18 ALA N 1  18 ALA CA 1  18 ALA C  1  19 ARG N  -63.00    1.00  -55.97  -60.67  -61.87  2.62 14  0 "[    .    1    .    2]" 
        29 . 1  19 ARG C 1  20 ILE N  1  20 ILE CA 1  20 ILE C -160.00 -100.00 -115.43 -117.50 -127.24  2.85  9  0 "[    .    1    .    2]" 
        30 . 1  20 ILE N 1  20 ILE CA 1  20 ILE C  1  21 GLU N  108.00  176.00  120.72  105.40  167.78  2.60  9  0 "[    .    1    .    2]" 
        31 . 1  20 ILE C 1  21 GLU N  1  21 GLU CA 1  21 GLU C -167.00  -91.00 -116.87 -164.46  -90.03  0.97  9  0 "[    .    1    .    2]" 
        32 . 1  21 GLU N 1  21 GLU CA 1  21 GLU C  1  22 ALA N  117.00  149.00  132.32  112.60  152.12  4.40  4  0 "[    .    1    .    2]" 
        33 . 1  21 GLU C 1  22 ALA N  1  22 ALA CA 1  22 ALA C -147.00  -83.00 -104.41  -93.26  -99.90  1.62 15  0 "[    .    1    .    2]" 
        34 . 1  22 ALA N 1  22 ALA CA 1  22 ALA C  1  23 LYS N  109.00  173.00  132.83  116.59  151.98     .  .  0 "[    .    1    .    2]" 
        35 . 1  22 ALA C 1  23 LYS N  1  23 LYS CA 1  23 LYS C -151.00 -107.00 -133.87 -117.44 -122.87  2.19  6  0 "[    .    1    .    2]" 
        36 . 1  23 LYS N 1  23 LYS CA 1  23 LYS C  1  24 ARG N  105.00  173.00  151.25  149.80  145.76     .  .  0 "[    .    1    .    2]" 
        37 . 1  23 LYS C 1  24 ARG N  1  24 ARG CA 1  24 ARG C -103.00  -55.00  -86.58 -105.36  -75.77  2.36 14  0 "[    .    1    .    2]" 
        38 . 1  24 ARG N 1  24 ARG CA 1  24 ARG C  1  25 ALA N  137.00 -179.00  165.31  169.24  168.01     .  .  0 "[    .    1    .    2]" 
        39 . 1  24 ARG C 1  25 ALA N  1  25 ALA CA 1  25 ALA C  -70.00  -50.00  -60.94  -70.66  -52.47  0.66  8  0 "[    .    1    .    2]" 
        40 . 1  25 ALA N 1  25 ALA CA 1  25 ALA C  1  26 SER N  -48.00  -12.00  -30.70  -37.85  -21.06     .  .  0 "[    .    1    .    2]" 
        41 . 1  25 ALA C 1  26 SER N  1  26 SER CA 1  26 SER C  -85.00  -49.00  -67.51  -66.68  -69.61     .  .  0 "[    .    1    .    2]" 
        42 . 1  26 SER N 1  26 SER CA 1  26 SER C  1  27 ASP N  -50.00   14.00  -24.06  -37.27   13.41     .  .  0 "[    .    1    .    2]" 
        43 . 1  26 SER C 1  27 ASP N  1  27 ASP CA 1  27 ASP C -122.00  -58.00  -86.91 -115.33  -69.87     .  .  0 "[    .    1    .    2]" 
        44 . 1  27 ASP N 1  27 ASP CA 1  27 ASP C  1  28 MET N  -53.00   27.00   -4.99   -2.50   -4.99     .  .  0 "[    .    1    .    2]" 
        45 . 1  27 ASP C 1  28 MET N  1  28 MET CA 1  28 MET C -156.00   44.00  -59.29  -69.58  -52.09     .  .  0 "[    .    1    .    2]" 
        46 . 1  28 MET N 1  28 MET CA 1  28 MET C  1  29 GLY N  105.00  157.00  114.33  128.29  124.27  1.81 14  0 "[    .    1    .    2]" 
        47 . 1  28 MET C 1  29 GLY N  1  29 GLY CA 1  29 GLY C  136.00   40.00  150.83  135.11 -171.40  0.89 19  0 "[    .    1    .    2]" 
        48 . 1  29 GLY N 1  29 GLY CA 1  29 GLY C  1  30 LYS N   93.00 -123.00 -135.98 -139.46 -142.83  0.63 13  0 "[    .    1    .    2]" 
        49 . 1  29 GLY C 1  30 LYS N  1  30 LYS CA 1  30 LYS C  -74.00  -46.00  -62.24  -74.23  -52.57  0.23  8  0 "[    .    1    .    2]" 
        50 . 1  30 LYS N 1  30 LYS CA 1  30 LYS C  1  31 SER N  -56.00   -4.00  -35.21  -58.18  -18.34  2.18 13  0 "[    .    1    .    2]" 
        51 . 1  30 LYS C 1  31 SER N  1  31 SER CA 1  31 SER C  -86.00  -46.00  -66.79  -53.22  -59.13     .  .  0 "[    .    1    .    2]" 
        52 . 1  31 SER N 1  31 SER CA 1  31 SER C  1  32 VAL N  -53.00  -21.00  -37.03  -33.60  -36.51  2.15  7  0 "[    .    1    .    2]" 
        53 . 1  31 SER C 1  32 VAL N  1  32 VAL CA 1  32 VAL C  -70.00  -50.00  -67.74  -71.12  -71.97  5.31  7  1 "[    . +  1    .    2]" 
        54 . 1  32 VAL N 1  32 VAL CA 1  32 VAL C  1  33 MET N  -54.00  -34.00  -45.17  -37.92  -40.58     .  .  0 "[    .    1    .    2]" 
        55 . 1  32 VAL C 1  33 MET N  1  33 MET CA 1  33 MET C  -81.00  -49.00  -62.08  -78.63  -48.22  0.78 14  0 "[    .    1    .    2]" 
        56 . 1  33 MET N 1  33 MET CA 1  33 MET C  1  34 GLU N  -49.00  -21.00  -39.77  -50.47  -31.86  1.47  5  0 "[    .    1    .    2]" 
        57 . 1  33 MET C 1  34 GLU N  1  34 GLU CA 1  34 GLU C  -76.00  -52.00  -63.36  -65.34  -65.73     .  .  0 "[    .    1    .    2]" 
        58 . 1  34 GLU N 1  34 GLU CA 1  34 GLU C  1  35 THR N  -49.00  -29.00  -35.05  -27.87  -30.44  2.59  2  0 "[    .    1    .    2]" 
        59 . 1  34 GLU C 1  35 THR N  1  35 THR CA 1  35 THR C  -76.00  -56.00  -73.95  -79.32  -67.75  3.32  3  0 "[    .    1    .    2]" 
        60 . 1  35 THR N 1  35 THR CA 1  35 THR C  1  36 VAL N  -53.00  -29.00  -35.13  -46.38  -27.67  1.33 11  0 "[    .    1    .    2]" 
        61 . 1  35 THR C 1  36 VAL N  1  36 VAL CA 1  36 VAL C  -76.00  -52.00  -60.82  -64.64  -56.25     .  .  0 "[    .    1    .    2]" 
        62 . 1  36 VAL N 1  36 VAL CA 1  36 VAL C  1  37 ILE N  -55.00  -35.00  -41.27  -46.23  -34.74  0.26 19  0 "[    .    1    .    2]" 
        63 . 1  36 VAL C 1  37 ILE N  1  37 ILE CA 1  37 ILE C  -74.00  -46.00  -57.97  -63.78  -45.14  0.86 19  0 "[    .    1    .    2]" 
        64 . 1  37 ILE N 1  37 ILE CA 1  37 ILE C  1  38 ALA N  -57.00  -33.00  -38.03  -31.92  -33.92  3.47  2  0 "[    .    1    .    2]" 
        65 . 1  37 ILE C 1  38 ALA N  1  38 ALA CA 1  38 ALA C  -78.00  -50.00  -63.46  -66.86  -69.82     .  .  0 "[    .    1    .    2]" 
        66 . 1  38 ALA N 1  38 ALA CA 1  38 ALA C  1  39 PHE N  -64.00  -16.00  -44.99  -62.30  -15.35  0.65 20  0 "[    .    1    .    2]" 
        67 . 1  38 ALA C 1  39 PHE N  1  39 PHE CA 1  39 PHE C  -97.00  -45.00  -73.85  -82.40  -91.47  2.07  1  0 "[    .    1    .    2]" 
        68 . 1  39 PHE N 1  39 PHE CA 1  39 PHE C  1  40 ALA N  -65.00   -1.00  -33.26  -47.68  -18.17     .  .  0 "[    .    1    .    2]" 
        69 . 1  39 PHE C 1  40 ALA N  1  40 ALA CA 1  40 ALA C  -86.00  -50.00  -73.92  -86.98  -63.76  0.98 15  0 "[    .    1    .    2]" 
        70 . 1  40 ALA N 1  40 ALA CA 1  40 ALA C  1  41 ASN N  -55.00  -23.00  -34.25  -28.07  -30.76  1.15 18  0 "[    .    1    .    2]" 
        71 . 1  40 ALA C 1  41 ASN N  1  41 ASN CA 1  41 ASN C -115.00  -67.00  -92.13 -117.65  -71.59  2.65 10  0 "[    .    1    .    2]" 
        72 . 1  41 ASN N 1  41 ASN CA 1  41 ASN C  1  42 GLU N  -48.00   24.00  -23.38  -50.09   17.13  2.09  6  0 "[    .    1    .    2]" 
        73 . 1  41 ASN C 1  42 GLU N  1  42 GLU CA 1  42 GLU C -132.00  -32.00  -76.26 -108.25  -56.97     .  .  0 "[    .    1    .    2]" 
        74 . 1  42 GLU N 1  42 GLU CA 1  42 GLU C  1  43 PRO N   81.00  177.00  116.00   89.19  142.18     .  .  0 "[    .    1    .    2]" 
        75 . 1  43 PRO C 1  44 GLY N  1  44 GLY CA 1  44 GLY C   59.00  107.00   87.60   95.14   90.09  3.89 11  0 "[    .    1    .    2]" 
        76 . 1  44 GLY N 1  44 GLY CA 1  44 GLY C  1  45 LEU N  -37.00   35.00    6.66  -41.15   34.71  4.15 15  0 "[    .    1    .    2]" 
        77 . 1  44 GLY C 1  45 LEU N  1  45 LEU CA 1  45 LEU C -131.00  -43.00 -101.93 -103.78 -106.84     .  .  0 "[    .    1    .    2]" 
        78 . 1  45 LEU N 1  45 LEU CA 1  45 LEU C  1  46 ASP N  -73.00   35.00   -1.58  -64.60   26.69     .  .  0 "[    .    1    .    2]" 
        79 . 1  46 ASP C 1  47 GLY N  1  47 GLY CA 1  47 GLY C   45.00  121.00  104.91  103.78  102.64  3.30  8  0 "[    .    1    .    2]" 
        80 . 1  47 GLY N 1  47 GLY CA 1  47 GLY C  1  48 GLY N  -50.00   70.00   44.91   68.33   59.44  4.45  7  0 "[    .    1    .    2]" 
        81 . 1  47 GLY C 1  48 GLY N  1  48 GLY CA 1  48 GLY C  119.00  -53.00  -95.75 -133.66  -49.53  3.47 17  0 "[    .    1    .    2]" 
        82 . 1  48 GLY N 1  48 GLY CA 1  48 GLY C  1  49 TYR N   92.00 -136.00  144.91  100.25  174.13     .  .  0 "[    .    1    .    2]" 
        83 . 1  48 GLY C 1  49 TYR N  1  49 TYR CA 1  49 TYR C -175.00  -99.00 -119.67 -132.38 -105.31     .  .  0 "[    .    1    .    2]" 
        84 . 1  49 TYR N 1  49 TYR CA 1  49 TYR C  1  50 LEU N  129.00  173.00  136.14  125.82  155.67  3.18  5  0 "[    .    1    .    2]" 
        85 . 1  49 TYR C 1  50 LEU N  1  50 LEU CA 1  50 LEU C -160.00  -92.00 -113.57 -100.73 -104.73     .  .  0 "[    .    1    .    2]" 
        86 . 1  50 LEU N 1  50 LEU CA 1  50 LEU C  1  51 LEU N  103.00  171.00  121.40  118.08  117.81     .  .  0 "[    .    1    .    2]" 
        87 . 1  50 LEU C 1  51 LEU N  1  51 LEU CA 1  51 LEU C -157.00 -105.00 -103.56 -110.90 -100.42  4.58 10  0 "[    .    1    .    2]" 
        88 . 1  51 LEU N 1  51 LEU CA 1  51 LEU C  1  52 LEU N  113.00  165.00  109.57  110.43  109.95  6.26  8  1 "[    .  + 1    .    2]" 
        89 . 1  51 LEU C 1  52 LEU N  1  52 LEU CA 1  52 LEU C -160.00  -68.00  -94.64 -100.40  -88.96     .  .  0 "[    .    1    .    2]" 
        90 . 1  52 LEU N 1  52 LEU CA 1  52 LEU C  1  53 GLY N  123.00 -173.00  130.39  120.71  140.16  2.29 13  0 "[    .    1    .    2]" 
        91 . 1  53 GLY C 1  54 VAL N  1  54 VAL CA 1  54 VAL C -163.00 -115.00 -113.16 -116.30 -109.71  5.29 13  1 "[    .    1  + .    2]" 
        92 . 1  54 VAL N 1  54 VAL CA 1  54 VAL C  1  55 ASP N  135.00  171.00  139.46  133.06  146.33  1.94 13  0 "[    .    1    .    2]" 
        93 . 1  54 VAL C 1  55 ASP N  1  55 ASP CA 1  55 ASP C -153.00 -105.00 -117.71 -109.89 -113.47  1.36 20  0 "[    .    1    .    2]" 
        94 . 1  55 ASP N 1  55 ASP CA 1  55 ASP C  1  56 TRP N  133.00  177.00  148.93  129.07  176.84  3.93  5  0 "[    .    1    .    2]" 
        95 . 1  55 ASP C 1  56 TRP N  1  56 TRP CA 1  56 TRP C -166.00  -98.00 -133.69 -128.97 -136.16     .  .  0 "[    .    1    .    2]" 
        96 . 1  56 TRP N 1  56 TRP CA 1  56 TRP C  1  57 ALA N  129.00  177.00  135.34  125.76  144.67  3.24 10  0 "[    .    1    .    2]" 
        97 . 1  56 TRP C 1  57 ALA N  1  57 ALA CA 1  57 ALA C -166.00 -118.00 -123.92 -148.68 -114.73  3.27  5  0 "[    .    1    .    2]" 
        98 . 1  57 ALA N 1  57 ALA CA 1  57 ALA C  1  58 ILE N  124.00  168.00  139.41  123.40  152.73  0.60  2  0 "[    .    1    .    2]" 
        99 . 1  57 ALA C 1  58 ILE N  1  58 ILE CA 1  58 ILE C -140.00  -80.00  -91.84  -92.00  -96.20     .  .  0 "[    .    1    .    2]" 
       100 . 1  58 ILE N 1  58 ILE CA 1  58 ILE C  1  59 ASN N   93.00  153.00  127.94  128.63  127.33     .  .  0 "[    .    1    .    2]" 
       101 . 1  58 ILE C 1  59 ASN N  1  59 ASN CA 1  59 ASN C  -98.00  -66.00  -81.44  -96.79  -65.28  0.72  4  0 "[    .    1    .    2]" 
       102 . 1  59 ASN N 1  59 ASN CA 1  59 ASN C  1  60 ASP N  117.00 -143.00  179.79 -179.29  178.05     .  .  0 "[    .    1    .    2]" 
       103 . 1  59 ASN C 1  60 ASP N  1  60 ASP CA 1  60 ASP C  -95.00  -39.00  -63.09  -65.23  -65.52     .  .  0 "[    .    1    .    2]" 
       104 . 1  60 ASP N 1  60 ASP CA 1  60 ASP C  1  61 LYS N  -47.00   25.00  -28.15  -44.60    0.26     .  .  0 "[    .    1    .    2]" 
       105 . 1  60 ASP C 1  61 LYS N  1  61 LYS CA 1  61 LYS C -125.00  -65.00  -80.43  -98.32  -66.54     .  .  0 "[    .    1    .    2]" 
       106 . 1  61 LYS N 1  61 LYS CA 1  61 LYS C  1  62 GLY N  -31.00   33.00  -15.60   -1.53  -11.77  0.21  8  0 "[    .    1    .    2]" 
       107 . 1  61 LYS C 1  62 GLY N  1  62 GLY CA 1  62 GLY C   68.00  116.00   95.89   74.36  117.36  1.36  9  0 "[    .    1    .    2]" 
       108 . 1  62 GLY N 1  62 GLY CA 1  62 GLY C  1  63 ASP N  -26.00   46.00   16.14  -17.56   41.54     .  .  0 "[    .    1    .    2]" 
       109 . 1  62 GLY C 1  63 ASP N  1  63 ASP CA 1  63 ASP C -129.00  -49.00  -87.18  -98.94  -99.86  0.39 20  0 "[    .    1    .    2]" 
       110 . 1  63 ASP N 1  63 ASP CA 1  63 ASP C  1  64 THR N  103.00  167.00  137.67  111.54  158.72     .  .  0 "[    .    1    .    2]" 
       111 . 1  63 ASP C 1  64 THR N  1  64 THR CA 1  64 THR C -159.00  -39.00  -90.86  -96.72 -103.92     .  .  0 "[    .    1    .    2]" 
       112 . 1  64 THR N 1  64 THR CA 1  64 THR C  1  65 VAL N   98.00  146.00  113.67  113.03  111.20     .  .  0 "[    .    1    .    2]" 
       113 . 1  64 THR C 1  65 VAL N  1  65 VAL CA 1  65 VAL C -131.00  -75.00 -104.61 -116.49  -98.51     .  .  0 "[    .    1    .    2]" 
       114 . 1  65 VAL N 1  65 VAL CA 1  65 VAL C  1  66 TYR N   94.00  154.00  121.07  121.81  120.80     .  .  0 "[    .    1    .    2]" 
       115 . 1  65 VAL C 1  66 TYR N  1  66 TYR CA 1  66 TYR C -127.00  -95.00  -93.66  -99.05  -89.22  5.78 11  1 "[    .    1+   .    2]" 
       116 . 1  66 TYR N 1  66 TYR CA 1  66 TYR C  1  67 ARG N  116.00  156.00  122.35  124.15  122.05  2.57  4  0 "[    .    1    .    2]" 
       117 . 1  66 TYR C 1  67 ARG N  1  67 ARG CA 1  67 ARG C -157.00  -89.00 -124.21 -147.99 -110.67     .  .  0 "[    .    1    .    2]" 
       118 . 1  67 ARG N 1  67 ARG CA 1  67 ARG C  1  68 PRO N   63.00 -157.00  139.44  109.95  153.52     .  .  0 "[    .    1    .    2]" 
       119 . 1  69 VAL C 1  70 GLY N  1  70 GLY CA 1  70 GLY C   63.00  -65.00   80.19   73.60   86.44     .  .  0 "[    .    1    .    2]" 
       120 . 1  70 GLY N 1  70 GLY CA 1  70 GLY C  1  71 LEU N  123.00 -169.00 -177.61 -176.73 -178.22  1.46  4  0 "[    .    1    .    2]" 
       121 . 1  70 GLY C 1  71 LEU N  1  71 LEU CA 1  71 LEU C -152.00  -96.00 -106.92 -121.57  -95.09  0.91  6  0 "[    .    1    .    2]" 
       122 . 1  71 LEU N 1  71 LEU CA 1  71 LEU C  1  72 PRO N   58.00 -174.00  132.88  116.20  143.25     .  .  0 "[    .    1    .    2]" 
       123 . 1  72 PRO C 1  73 ASP N  1  73 ASP CA 1  73 ASP C  174.00  -74.00 -130.86 -140.58 -145.49     .  .  0 "[    .    1    .    2]" 
       124 . 1  73 ASP N 1  73 ASP CA 1  73 ASP C  1  74 PRO N   21.00  173.00   78.02   59.77  101.55     .  .  0 "[    .    1    .    2]" 
       125 . 1  74 PRO C 1  75 ASP N  1  75 ASP CA 1  75 ASP C  -74.00  -54.00  -68.21  -73.80  -62.38     .  .  0 "[    .    1    .    2]" 
       126 . 1  75 ASP N 1  75 ASP CA 1  75 ASP C  1  76 LYS N  -54.00  -14.00  -42.08  -47.63  -51.46     .  .  0 "[    .    1    .    2]" 
       127 . 1  75 ASP C 1  76 LYS N  1  76 LYS CA 1  76 LYS C  -75.00  -55.00  -64.93  -72.31  -59.26     .  .  0 "[    .    1    .    2]" 
       128 . 1  76 LYS N 1  76 LYS CA 1  76 LYS C  1  77 VAL N  -53.00  -33.00  -41.72  -34.17  -35.69  1.77  9  0 "[    .    1    .    2]" 
       129 . 1  76 LYS C 1  77 VAL N  1  77 VAL CA 1  77 VAL C  -74.00  -54.00  -59.88  -65.35  -52.24  1.76  9  0 "[    .    1    .    2]" 
       130 . 1  77 VAL N 1  77 VAL CA 1  77 VAL C  1  78 GLN N  -53.00  -33.00  -42.44  -47.83  -35.32     .  .  0 "[    .    1    .    2]" 
       131 . 1  77 VAL C 1  78 GLN N  1  78 GLN CA 1  78 GLN C  -71.00  -51.00  -62.74  -66.05  -67.15     .  .  0 "[    .    1    .    2]" 
       132 . 1  78 GLN N 1  78 GLN CA 1  78 GLN C  1  79 ARG N  -49.00  -29.00  -45.86  -52.38  -33.35  3.38 19  0 "[    .    1    .    2]" 
       133 . 1  78 GLN C 1  79 ARG N  1  79 ARG CA 1  79 ARG C  -75.00  -55.00  -71.32  -75.85  -63.63  0.85 10  0 "[    .    1    .    2]" 
       134 . 1  79 ARG N 1  79 ARG CA 1  79 ARG C  1  80 ASP N  -50.00  -26.00  -42.94  -48.29  -49.59  1.19  1  0 "[    .    1    .    2]" 
       135 . 1  79 ARG C 1  80 ASP N  1  80 ASP CA 1  80 ASP C  -76.00  -56.00  -64.88  -72.54  -55.34  0.66  9  0 "[    .    1    .    2]" 
       136 . 1  80 ASP N 1  80 ASP CA 1  80 ASP C  1  81 LEU N  -54.00  -30.00  -35.65  -38.86  -41.17  1.93 20  0 "[    .    1    .    2]" 
       137 . 1  80 ASP C 1  81 LEU N  1  81 LEU CA 1  81 LEU C  -75.00  -55.00  -68.44  -72.87  -63.07     .  .  0 "[    .    1    .    2]" 
       138 . 1  81 LEU N 1  81 LEU CA 1  81 LEU C  1  82 ALA N  -54.00  -34.00  -40.38  -45.11  -32.81  1.19  1  0 "[    .    1    .    2]" 
       139 . 1  81 LEU C 1  82 ALA N  1  82 ALA CA 1  82 ALA C  -71.00  -51.00  -64.93  -63.87  -64.06     .  .  0 "[    .    1    .    2]" 
       140 . 1  82 ALA N 1  82 ALA CA 1  82 ALA C  1  83 SER N  -56.00  -28.00  -37.93  -44.83  -27.47  0.53 17  0 "[    .    1    .    2]" 
       141 . 1  82 ALA C 1  83 SER N  1  83 SER CA 1  83 SER C  -73.00  -53.00  -66.82  -59.23  -60.89  0.95 17  0 "[    .    1    .    2]" 
       142 . 1  83 SER N 1  83 SER CA 1  83 SER C  1  84 GLN N  -52.00  -32.00  -51.06  -53.23  -41.39  1.23 10  0 "[    .    1    .    2]" 
       143 . 1  83 SER C 1  84 GLN N  1  84 GLN CA 1  84 GLN C  -74.00  -54.00  -66.07  -71.13  -53.92  0.08  1  0 "[    .    1    .    2]" 
       144 . 1  84 GLN N 1  84 GLN CA 1  84 GLN C  1  85 CYS N  -53.00  -33.00  -32.87  -34.72  -44.87  5.02  9  1 "[    .   +1    .    2]" 
       145 . 1  84 GLN C 1  85 CYS N  1  85 CYS CA 1  85 CYS C  -82.00  -46.00  -63.62  -69.73  -72.61     .  .  0 "[    .    1    .    2]" 
       146 . 1  85 CYS N 1  85 CYS CA 1  85 CYS C  1  86 ALA N  -55.00  -19.00  -26.88  -35.30  -18.37  0.63  1  0 "[    .    1    .    2]" 
       147 . 1  85 CYS C 1  86 ALA N  1  86 ALA CA 1  86 ALA C  -90.00  -50.00  -84.73  -79.24  -81.45  1.11  5  0 "[    .    1    .    2]" 
       148 . 1  86 ALA N 1  86 ALA CA 1  86 ALA C  1  87 SER N  -58.00  -14.00  -35.63  -29.71  -33.58     .  .  0 "[    .    1    .    2]" 
       149 . 1  86 ALA C 1  87 SER N  1  87 SER CA 1  87 SER C -112.00  -44.00  -88.50 -112.31  -68.70  0.31 19  0 "[    .    1    .    2]" 
       150 . 1  87 SER N 1  87 SER CA 1  87 SER C  1  88 MET N  -72.00   12.00  -29.68  -33.91  -37.24     .  .  0 "[    .    1    .    2]" 
       151 . 1  87 SER C 1  88 MET N  1  88 MET CA 1  88 MET C -105.00  -53.00  -82.50  -67.30  -67.86     .  .  0 "[    .    1    .    2]" 
       152 . 1  88 MET N 1  88 MET CA 1  88 MET C  1  89 LEU N  -62.00    6.00  -44.02  -60.94  -17.62     .  .  0 "[    .    1    .    2]" 
       153 . 1  90 ASN C 1  91 VAL N  1  91 VAL CA 1  91 VAL C -165.00  -85.00 -115.61 -133.61  -97.36     .  .  0 "[    .    1    .    2]" 
       154 . 1  91 VAL N 1  91 VAL CA 1  91 VAL C  1  92 ALA N  132.00  172.00  165.05  167.68  163.65  4.77  2  0 "[    .    1    .    2]" 
       155 . 1  91 VAL C 1  92 ALA N  1  92 ALA CA 1  92 ALA C -149.00  -69.00  -73.68  -68.73  -70.62  1.90  2  0 "[    .    1    .    2]" 
       156 . 1  92 ALA N 1  92 ALA CA 1  92 ALA C  1  93 LEU N  100.00  152.00  100.38   96.06  117.57  3.94 16  0 "[    .    1    .    2]" 
       157 . 1  92 ALA C 1  93 LEU N  1  93 LEU CA 1  93 LEU C -143.00  -79.00  -91.15  -96.24  -98.84  3.30 15  0 "[    .    1    .    2]" 
       158 . 1  93 LEU N 1  93 LEU CA 1  93 LEU C  1  94 ARG N  106.00 -174.00  127.20  106.67  142.66     .  .  0 "[    .    1    .    2]" 
       159 . 1  93 LEU C 1  94 ARG N  1  94 ARG CA 1  94 ARG C -147.00  -67.00 -105.48 -116.10  -96.20     .  .  0 "[    .    1    .    2]" 
       160 . 1  94 ARG N 1  94 ARG CA 1  94 ARG C  1  95 PRO N   63.00 -177.00   97.25   82.25  109.61     .  .  0 "[    .    1    .    2]" 
       161 . 1  95 PRO C 1  96 GLU N  1  96 GLU CA 1  96 GLU C -154.00  -62.00  -91.16 -112.85  -71.65     .  .  0 "[    .    1    .    2]" 
       162 . 1  96 GLU N 1  96 GLU CA 1  96 GLU C  1  97 MET N   99.00  171.00  117.20   96.99  141.13  2.01  2  0 "[    .    1    .    2]" 
       163 . 1  96 GLU C 1  97 MET N  1  97 MET CA 1  97 MET C -153.00 -101.00 -121.31 -105.13 -110.15     .  .  0 "[    .    1    .    2]" 
       164 . 1  97 MET N 1  97 MET CA 1  97 MET C  1  98 GLN N  117.00 -179.00  127.94  134.89  133.51  2.88  4  0 "[    .    1    .    2]" 
       165 . 1  97 MET C 1  98 GLN N  1  98 GLN CA 1  98 GLN C -165.00 -109.00 -134.45 -151.59 -114.99     .  .  0 "[    .    1    .    2]" 
       166 . 1  98 GLN N 1  98 GLN CA 1  98 GLN C  1  99 LEU N  115.00  155.00  137.04  123.75  151.90     .  .  0 "[    .    1    .    2]" 
       167 . 1  98 GLN C 1  99 LEU N  1  99 LEU CA 1  99 LEU C -137.00  -73.00  -91.97  -86.26  -88.29     .  .  0 "[    .    1    .    2]" 
       168 . 1  99 LEU N 1  99 LEU CA 1  99 LEU C  1 100 GLU N  112.00  140.00  118.03  123.19  119.35  2.27 20  0 "[    .    1    .    2]" 
       169 . 1  99 LEU C 1 100 GLU N  1 100 GLU CA 1 100 GLU C -178.00  -90.00 -122.60 -142.24 -102.16     .  .  0 "[    .    1    .    2]" 
       170 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C  1 101 GLN N  126.00  178.00  133.42  145.75  136.48  1.14  8  0 "[    .    1    .    2]" 
       171 . 1 100 GLU C 1 101 GLN N  1 101 GLN CA 1 101 GLN C -136.00  -76.00  -95.43 -101.21  -88.38     .  .  0 "[    .    1    .    2]" 
       172 . 1 101 GLN N 1 101 GLN CA 1 101 GLN C  1 102 VAL N  103.00  147.00  119.53  104.06  129.90     .  .  0 "[    .    1    .    2]" 
       173 . 1 101 GLN C 1 102 VAL N  1 102 VAL CA 1 102 VAL C -153.00  -93.00 -124.82 -137.31 -115.16     .  .  0 "[    .    1    .    2]" 
       174 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C  1 103 GLY N   96.00  152.00  117.10  107.74  131.58     .  .  0 "[    .    1    .    2]" 
       175 . 1 102 VAL C 1 103 GLY N  1 103 GLY CA 1 103 GLY C   39.00   71.00   56.69   58.73   57.89     .  .  0 "[    .    1    .    2]" 
       176 . 1 103 GLY N 1 103 GLY CA 1 103 GLY C  1 104 GLY N   30.00   54.00   29.94   26.63   41.53  3.37  9  0 "[    .    1    .    2]" 
       177 . 1 103 GLY C 1 104 GLY N  1 104 GLY CA 1 104 GLY C   60.00   96.00   86.41   78.84   95.02     .  .  0 "[    .    1    .    2]" 
       178 . 1 104 GLY N 1 104 GLY CA 1 104 GLY C  1 105 LYS N  -21.00   27.00    3.28   -5.71   10.61     .  .  0 "[    .    1    .    2]" 
       179 . 1 104 GLY C 1 105 LYS N  1 105 LYS CA 1 105 LYS C  170.00   26.00 -108.18 -103.01 -107.44     .  .  0 "[    .    1    .    2]" 
       180 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C  1 106 THR N  105.00 -175.00  136.03  119.20  165.76     .  .  0 "[    .    1    .    2]" 
       181 . 1 105 LYS C 1 106 THR N  1 106 THR CA 1 106 THR C -119.00  -51.00  -95.40  -95.34  -96.98  1.43  8  0 "[    .    1    .    2]" 
       182 . 1 106 THR N 1 106 THR CA 1 106 THR C  1 107 LEU N  107.00  151.00  118.86  102.41  134.88  4.59  7  0 "[    .    1    .    2]" 
       183 . 1 106 THR C 1 107 LEU N  1 107 LEU CA 1 107 LEU C -150.00  -82.00 -109.20  -99.09 -111.66     .  .  0 "[    .    1    .    2]" 
       184 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C  1 108 LEU N  118.00  170.00  164.82  154.42  171.41  1.41 15  0 "[    .    1    .    2]" 
       185 . 1 107 LEU C 1 108 LEU N  1 108 LEU CA 1 108 LEU C -159.00 -111.00 -117.89 -115.95 -116.69     .  .  0 "[    .    1    .    2]" 
       186 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C  1 109 VAL N  111.00  163.00  117.46  116.39  115.61  1.16 20  0 "[    .    1    .    2]" 
       187 . 1 108 LEU C 1 109 VAL N  1 109 VAL CA 1 109 VAL C -140.00  -84.00  -88.11  -99.05  -82.53  1.47  1  0 "[    .    1    .    2]" 
       188 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C  1 110 VAL N  106.00  138.00  119.25  111.01  106.43  0.37 11  0 "[    .    1    .    2]" 
       189 . 1 109 VAL C 1 110 VAL N  1 110 VAL CA 1 110 VAL C -142.00  -94.00 -110.10 -121.92  -92.88  1.12  1  0 "[    .    1    .    2]" 
       190 . 1 110 VAL N 1 110 VAL CA 1 110 VAL C  1 111 TYR N  103.00  163.00  101.59  100.92  100.59  4.31 11  0 "[    .    1    .    2]" 
       191 . 1 110 VAL C 1 111 TYR N  1 111 TYR CA 1 111 TYR C -165.00  -69.00  -83.08  -84.60  -85.02     .  .  0 "[    .    1    .    2]" 
       192 . 1 111 TYR N 1 111 TYR CA 1 111 TYR C  1 112 VAL N   92.00  148.00  121.26  125.83  124.47     .  .  0 "[    .    1    .    2]" 
       193 . 1 111 TYR C 1 112 VAL N  1 112 VAL CA 1 112 VAL C -155.00  -39.00 -107.17 -100.27 -102.29     .  .  0 "[    .    1    .    2]" 
       194 . 1 112 VAL N 1 112 VAL CA 1 112 VAL C  1 113 PRO N   94.00  150.00  103.62  100.34   99.29     .  .  0 "[    .    1    .    2]" 
       195 . 1 113 PRO C 1 114 GLU N  1 114 GLU CA 1 114 GLU C -123.00  -55.00  -72.85  -93.64  -58.24     .  .  0 "[    .    1    .    2]" 
       196 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C  1 115 ALA N   99.00  159.00  137.13  133.91  132.97  2.74 14  0 "[    .    1    .    2]" 
       197 . 1 114 GLU C 1 115 ALA N  1 115 ALA CA 1 115 ALA C -144.00  -40.00  -83.96 -124.34  -55.86     .  .  0 "[    .    1    .    2]" 
       198 . 1 115 ALA N 1 115 ALA CA 1 115 ALA C  1 116 ASP N  101.00  177.00  157.94  166.87  158.03  2.92 10  0 "[    .    1    .    2]" 
       199 . 1 115 ALA C 1 116 ASP N  1 116 ASP CA 1 116 ASP C -142.00  -38.00  -71.65  -86.85  -62.40     .  .  0 "[    .    1    .    2]" 
       200 . 1 116 ASP N 1 116 ASP CA 1 116 ASP C  1 117 VAL N  120.00 -176.00  158.27  124.35 -175.61  0.39  3  0 "[    .    1    .    2]" 
       201 . 1 116 ASP C 1 117 VAL N  1 117 VAL CA 1 117 VAL C  -73.00  -41.00  -51.59  -47.41  -52.88  2.99  6  0 "[    .    1    .    2]" 
       202 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C  1 118 THR N  -52.00  -24.00  -38.21  -42.92  -49.69  4.17  5  0 "[    .    1    .    2]" 
       203 . 1 117 VAL C 1 118 THR N  1 118 THR CA 1 118 THR C  -99.00  -51.00  -66.66  -66.43  -67.66     .  .  0 "[    .    1    .    2]" 
       204 . 1 118 THR N 1 118 THR CA 1 118 THR C  1 119 HIS N  -49.00   19.00  -35.99  -49.94    6.44  0.94  3  0 "[    .    1    .    2]" 
       205 . 1 119 HIS C 1 120 LYS N  1 120 LYS CA 1 120 LYS C -167.00  -55.00  -53.93  -47.14  -47.98 11.50 13 12 "[ *- **   *  + ******]" 
       206 . 1 120 LYS N 1 120 LYS CA 1 120 LYS C  1 121 PRO N   44.00 -160.00 -150.15 -163.77 -139.08 20.92  5 15 "[****+****-****.  * 2]" 
       207 . 1 121 PRO C 1 122 ILE N  1 122 ILE CA 1 122 ILE C -134.00  -62.00  -85.50  -80.00  -81.54     .  .  0 "[    .    1    .    2]" 
       208 . 1 122 ILE N 1 122 ILE CA 1 122 ILE C  1 123 TYR N   79.00  167.00  105.61   77.53   77.44  1.56  1  0 "[    .    1    .    2]" 
       209 . 1 122 ILE C 1 123 TYR N  1 123 TYR CA 1 123 TYR C -170.00  -82.00 -113.81  -82.95  -88.51  2.51 12  0 "[    .    1    .    2]" 
       210 . 1 123 TYR N 1 123 TYR CA 1 123 TYR C  1 124 LYS N  140.00 -172.00  156.15  139.53 -176.86  0.47  6  0 "[    .    1    .    2]" 
       211 . 1 123 TYR C 1 124 LYS N  1 124 LYS CA 1 124 LYS C -127.00  -39.00  -77.21  -72.44  -75.31     .  .  0 "[    .    1    .    2]" 
       212 . 1 124 LYS N 1 124 LYS CA 1 124 LYS C  1 125 LYS N   94.00  158.00  135.87   90.74  157.27  3.26 12  0 "[    .    1    .    2]" 
    stop_

save_


save_distance_constraint_statistics_2
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              212
    _TA_constraint_stats_list.Viol_count                    464
    _TA_constraint_stats_list.Viol_total                    20940.79
    _TA_constraint_stats_list.Viol_max                      20.92
    _TA_constraint_stats_list.Viol_rms                      1.12
    _TA_constraint_stats_list.Viol_average_all_restraints   0.25
    _TA_constraint_stats_list.Viol_average_violations_only  2.26
    _TA_constraint_stats_list.Cutoff_violation_report       5.00
    _TA_constraint_stats_list.Details                       .

    loop_
       _TA_constraint_stats.Restraint_ID
       _TA_constraint_stats.Torsion_angle_name
       _TA_constraint_stats.Entity_assembly_ID_1
       _TA_constraint_stats.Comp_index_ID_1
       _TA_constraint_stats.Comp_ID_1
       _TA_constraint_stats.Atom_ID_1
       _TA_constraint_stats.Entity_assembly_ID_2
       _TA_constraint_stats.Comp_index_ID_2
       _TA_constraint_stats.Comp_ID_2
       _TA_constraint_stats.Atom_ID_2
       _TA_constraint_stats.Entity_assembly_ID_3
       _TA_constraint_stats.Comp_index_ID_3
       _TA_constraint_stats.Comp_ID_3
       _TA_constraint_stats.Atom_ID_3
       _TA_constraint_stats.Entity_assembly_ID_4
       _TA_constraint_stats.Comp_index_ID_4
       _TA_constraint_stats.Comp_ID_4
       _TA_constraint_stats.Atom_ID_4
       _TA_constraint_stats.Angle_lower_bound_val
       _TA_constraint_stats.Angle_upper_bound_val
       _TA_constraint_stats.Angle_average
       _TA_constraint_stats.Angle_minimum
       _TA_constraint_stats.Angle_maximum
       _TA_constraint_stats.Max_violation
       _TA_constraint_stats.Max_violation_model_number
       _TA_constraint_stats.Over_cutoff_violation_count
       _TA_constraint_stats.Over_cutoff_violation_per_model

         1 . 1   1 MET C 1   2 ARG N  1   2 ARG CA 1   2 ARG C  167.00  -33.00  -83.39 -109.39  174.43     .  .  0 "[    .    1    .    2]" 
         2 . 1   2 ARG N 1   2 ARG CA 1   2 ARG C  1   3 SER N   89.00 -167.00  151.88  149.22  146.43     .  .  0 "[    .    1    .    2]" 
         3 . 1   2 ARG C 1   3 SER N  1   3 SER CA 1   3 SER C -123.00  -59.00  -73.05  -75.73  -76.99  0.90  9  0 "[    .    1    .    2]" 
         4 . 1   3 SER N 1   3 SER CA 1   3 SER C  1   4 ALA N  153.00  177.00  156.96  159.36  157.63  2.51 10  0 "[    .    1    .    2]" 
         5 . 1   3 SER C 1   4 ALA N  1   4 ALA CA 1   4 ALA C  -68.00  -48.00  -61.92  -59.80  -61.01     .  .  0 "[    .    1    .    2]" 
         6 . 1   4 ALA N 1   4 ALA CA 1   4 ALA C  1   5 THR N  -53.00  -25.00  -37.18  -31.63  -32.99  0.61 19  0 "[    .    1    .    2]" 
         7 . 1   4 ALA C 1   5 THR N  1   5 THR CA 1   5 THR C  -71.00  -51.00  -66.04  -72.22  -57.15  1.22 13  0 "[    .    1    .    2]" 
         8 . 1   5 THR N 1   5 THR CA 1   5 THR C  1   6 ASP N  -51.00  -31.00  -41.17  -51.29  -28.78  2.22  3  0 "[    .    1    .    2]" 
         9 . 1   5 THR C 1   6 ASP N  1   6 ASP CA 1   6 ASP C  -72.00  -52.00  -63.87  -70.23  -72.00     .  .  0 "[    .    1    .    2]" 
        10 . 1   6 ASP N 1   6 ASP CA 1   6 ASP C  1   7 LEU N  -55.00  -35.00  -44.11  -35.44  -36.59  0.70  2  0 "[    .    1    .    2]" 
        11 . 1   6 ASP C 1   7 LEU N  1   7 LEU CA 1   7 LEU C  -73.00  -53.00  -67.51  -74.43  -59.64  1.43 19  0 "[    .    1    .    2]" 
        12 . 1   7 LEU N 1   7 LEU CA 1   7 LEU C  1   8 LEU N  -53.00  -29.00  -36.04  -36.79  -38.46  2.64 13  0 "[    .    1    .    2]" 
        13 . 1   7 LEU C 1   8 LEU N  1   8 LEU CA 1   8 LEU C  -71.00  -51.00  -63.04  -68.58  -52.04     .  .  0 "[    .    1    .    2]" 
        14 . 1   8 LEU N 1   8 LEU CA 1   8 LEU C  1   9 ASP N  -50.00  -30.00  -40.73  -44.94  -46.50  0.93  8  0 "[    .    1    .    2]" 
        15 . 1   8 LEU C 1   9 ASP N  1   9 ASP CA 1   9 ASP C  -71.00  -51.00  -61.44  -67.23  -52.90     .  .  0 "[    .    1    .    2]" 
        16 . 1   9 ASP N 1   9 ASP CA 1   9 ASP C  1  10 GLU N  -61.00  -29.00  -37.60  -38.91  -40.31     .  .  0 "[    .    1    .    2]" 
        17 . 1   9 ASP C 1  10 GLU N  1  10 GLU CA 1  10 GLU C  -73.00  -53.00  -67.08  -67.11  -67.66  1.34 20  0 "[    .    1    .    2]" 
        18 . 1  10 GLU N 1  10 GLU CA 1  10 GLU C  1  11 LEU N  -55.00  -31.00  -42.81  -52.94  -30.18  0.82 20  0 "[    .    1    .    2]" 
        19 . 1  10 GLU C 1  11 LEU N  1  11 LEU CA 1  11 LEU C  -85.00  -49.00  -59.69  -57.82  -59.13     .  .  0 "[    .    1    .    2]" 
        20 . 1  11 LEU N 1  11 LEU CA 1  11 LEU C  1  12 ASN N  -60.00  -20.00  -42.66  -55.78  -27.46     .  .  0 "[    .    1    .    2]" 
        21 . 1  11 LEU C 1  12 ASN N  1  12 ASN CA 1  12 ASN C -115.00  -43.00  -76.36  -69.01  -70.93     .  .  0 "[    .    1    .    2]" 
        22 . 1  12 ASN N 1  12 ASN CA 1  12 ASN C  1  13 ALA N  -49.00    7.00  -19.83  -26.38  -28.95     .  .  0 "[    .    1    .    2]" 
        23 . 1  13 ALA C 1  14 VAL N  1  14 VAL CA 1  14 VAL C -154.00  -50.00  -93.32 -117.54  -76.34     .  .  0 "[    .    1    .    2]" 
        24 . 1  14 VAL N 1  14 VAL CA 1  14 VAL C  1  15 ASP N  112.00 -164.00  140.78  116.54  163.71     .  .  0 "[    .    1    .    2]" 
        25 . 1  14 VAL C 1  15 ASP N  1  15 ASP CA 1  15 ASP C -111.00  -43.00  -71.62 -106.52  -43.85     .  .  0 "[    .    1    .    2]" 
        26 . 1  15 ASP N 1  15 ASP CA 1  15 ASP C  1  16 GLU N  -44.00    4.00  -30.04  -27.76  -33.33  3.48  6  0 "[    .    1    .    2]" 
        27 . 1  17 SER C 1  18 ALA N  1  18 ALA CA 1  18 ALA C -125.00  -21.00  -77.45 -102.63  -57.13     .  .  0 "[    .    1    .    2]" 
        28 . 1  18 ALA N 1  18 ALA CA 1  18 ALA C  1  19 ARG N  -63.00    1.00  -55.97  -60.67  -61.87  2.62 14  0 "[    .    1    .    2]" 
        29 . 1  19 ARG C 1  20 ILE N  1  20 ILE CA 1  20 ILE C -160.00 -100.00 -115.43 -117.50 -127.24  2.85  9  0 "[    .    1    .    2]" 
        30 . 1  20 ILE N 1  20 ILE CA 1  20 ILE C  1  21 GLU N  108.00  176.00  120.72  105.40  167.78  2.60  9  0 "[    .    1    .    2]" 
        31 . 1  20 ILE C 1  21 GLU N  1  21 GLU CA 1  21 GLU C -167.00  -91.00 -116.87 -164.46  -90.03  0.97  9  0 "[    .    1    .    2]" 
        32 . 1  21 GLU N 1  21 GLU CA 1  21 GLU C  1  22 ALA N  117.00  149.00  132.32  112.60  152.12  4.40  4  0 "[    .    1    .    2]" 
        33 . 1  21 GLU C 1  22 ALA N  1  22 ALA CA 1  22 ALA C -147.00  -83.00 -104.41  -93.26  -99.90  1.62 15  0 "[    .    1    .    2]" 
        34 . 1  22 ALA N 1  22 ALA CA 1  22 ALA C  1  23 LYS N  109.00  173.00  132.83  116.59  151.98     .  .  0 "[    .    1    .    2]" 
        35 . 1  22 ALA C 1  23 LYS N  1  23 LYS CA 1  23 LYS C -151.00 -107.00 -133.87 -117.44 -122.87  2.19  6  0 "[    .    1    .    2]" 
        36 . 1  23 LYS N 1  23 LYS CA 1  23 LYS C  1  24 ARG N  105.00  173.00  151.25  149.80  145.76     .  .  0 "[    .    1    .    2]" 
        37 . 1  23 LYS C 1  24 ARG N  1  24 ARG CA 1  24 ARG C -103.00  -55.00  -86.58 -105.36  -75.77  2.36 14  0 "[    .    1    .    2]" 
        38 . 1  24 ARG N 1  24 ARG CA 1  24 ARG C  1  25 ALA N  137.00 -179.00  165.31  169.24  168.01     .  .  0 "[    .    1    .    2]" 
        39 . 1  24 ARG C 1  25 ALA N  1  25 ALA CA 1  25 ALA C  -70.00  -50.00  -60.94  -70.66  -52.47  0.66  8  0 "[    .    1    .    2]" 
        40 . 1  25 ALA N 1  25 ALA CA 1  25 ALA C  1  26 SER N  -48.00  -12.00  -30.70  -37.85  -21.06     .  .  0 "[    .    1    .    2]" 
        41 . 1  25 ALA C 1  26 SER N  1  26 SER CA 1  26 SER C  -85.00  -49.00  -67.51  -66.68  -69.61     .  .  0 "[    .    1    .    2]" 
        42 . 1  26 SER N 1  26 SER CA 1  26 SER C  1  27 ASP N  -50.00   14.00  -24.06  -37.27   13.41     .  .  0 "[    .    1    .    2]" 
        43 . 1  26 SER C 1  27 ASP N  1  27 ASP CA 1  27 ASP C -122.00  -58.00  -86.91 -115.33  -69.87     .  .  0 "[    .    1    .    2]" 
        44 . 1  27 ASP N 1  27 ASP CA 1  27 ASP C  1  28 MET N  -53.00   27.00   -4.99   -2.50   -4.99     .  .  0 "[    .    1    .    2]" 
        45 . 1  27 ASP C 1  28 MET N  1  28 MET CA 1  28 MET C -156.00   44.00  -59.29  -69.58  -52.09     .  .  0 "[    .    1    .    2]" 
        46 . 1  28 MET N 1  28 MET CA 1  28 MET C  1  29 GLY N  105.00  157.00  114.33  128.29  124.27  1.81 14  0 "[    .    1    .    2]" 
        47 . 1  28 MET C 1  29 GLY N  1  29 GLY CA 1  29 GLY C  136.00   40.00  150.83  135.11 -171.40  0.89 19  0 "[    .    1    .    2]" 
        48 . 1  29 GLY N 1  29 GLY CA 1  29 GLY C  1  30 LYS N   93.00 -123.00 -135.98 -139.46 -142.83  0.63 13  0 "[    .    1    .    2]" 
        49 . 1  29 GLY C 1  30 LYS N  1  30 LYS CA 1  30 LYS C  -74.00  -46.00  -62.24  -74.23  -52.57  0.23  8  0 "[    .    1    .    2]" 
        50 . 1  30 LYS N 1  30 LYS CA 1  30 LYS C  1  31 SER N  -56.00   -4.00  -35.21  -58.18  -18.34  2.18 13  0 "[    .    1    .    2]" 
        51 . 1  30 LYS C 1  31 SER N  1  31 SER CA 1  31 SER C  -86.00  -46.00  -66.79  -53.22  -59.13     .  .  0 "[    .    1    .    2]" 
        52 . 1  31 SER N 1  31 SER CA 1  31 SER C  1  32 VAL N  -53.00  -21.00  -37.03  -33.60  -36.51  2.15  7  0 "[    .    1    .    2]" 
        53 . 1  31 SER C 1  32 VAL N  1  32 VAL CA 1  32 VAL C  -70.00  -50.00  -67.74  -71.12  -71.97  5.31  7  1 "[    . +  1    .    2]" 
        54 . 1  32 VAL N 1  32 VAL CA 1  32 VAL C  1  33 MET N  -54.00  -34.00  -45.17  -37.92  -40.58     .  .  0 "[    .    1    .    2]" 
        55 . 1  32 VAL C 1  33 MET N  1  33 MET CA 1  33 MET C  -81.00  -49.00  -62.08  -78.63  -48.22  0.78 14  0 "[    .    1    .    2]" 
        56 . 1  33 MET N 1  33 MET CA 1  33 MET C  1  34 GLU N  -49.00  -21.00  -39.77  -50.47  -31.86  1.47  5  0 "[    .    1    .    2]" 
        57 . 1  33 MET C 1  34 GLU N  1  34 GLU CA 1  34 GLU C  -76.00  -52.00  -63.36  -65.34  -65.73     .  .  0 "[    .    1    .    2]" 
        58 . 1  34 GLU N 1  34 GLU CA 1  34 GLU C  1  35 THR N  -49.00  -29.00  -35.05  -27.87  -30.44  2.59  2  0 "[    .    1    .    2]" 
        59 . 1  34 GLU C 1  35 THR N  1  35 THR CA 1  35 THR C  -76.00  -56.00  -73.95  -79.32  -67.75  3.32  3  0 "[    .    1    .    2]" 
        60 . 1  35 THR N 1  35 THR CA 1  35 THR C  1  36 VAL N  -53.00  -29.00  -35.13  -46.38  -27.67  1.33 11  0 "[    .    1    .    2]" 
        61 . 1  35 THR C 1  36 VAL N  1  36 VAL CA 1  36 VAL C  -76.00  -52.00  -60.82  -64.64  -56.25     .  .  0 "[    .    1    .    2]" 
        62 . 1  36 VAL N 1  36 VAL CA 1  36 VAL C  1  37 ILE N  -55.00  -35.00  -41.27  -46.23  -34.74  0.26 19  0 "[    .    1    .    2]" 
        63 . 1  36 VAL C 1  37 ILE N  1  37 ILE CA 1  37 ILE C  -74.00  -46.00  -57.97  -63.78  -45.14  0.86 19  0 "[    .    1    .    2]" 
        64 . 1  37 ILE N 1  37 ILE CA 1  37 ILE C  1  38 ALA N  -57.00  -33.00  -38.03  -31.92  -33.92  3.47  2  0 "[    .    1    .    2]" 
        65 . 1  37 ILE C 1  38 ALA N  1  38 ALA CA 1  38 ALA C  -78.00  -50.00  -63.46  -66.86  -69.82     .  .  0 "[    .    1    .    2]" 
        66 . 1  38 ALA N 1  38 ALA CA 1  38 ALA C  1  39 PHE N  -64.00  -16.00  -44.99  -62.30  -15.35  0.65 20  0 "[    .    1    .    2]" 
        67 . 1  38 ALA C 1  39 PHE N  1  39 PHE CA 1  39 PHE C  -97.00  -45.00  -73.85  -82.40  -91.47  2.07  1  0 "[    .    1    .    2]" 
        68 . 1  39 PHE N 1  39 PHE CA 1  39 PHE C  1  40 ALA N  -65.00   -1.00  -33.26  -47.68  -18.17     .  .  0 "[    .    1    .    2]" 
        69 . 1  39 PHE C 1  40 ALA N  1  40 ALA CA 1  40 ALA C  -86.00  -50.00  -73.92  -86.98  -63.76  0.98 15  0 "[    .    1    .    2]" 
        70 . 1  40 ALA N 1  40 ALA CA 1  40 ALA C  1  41 ASN N  -55.00  -23.00  -34.25  -28.07  -30.76  1.15 18  0 "[    .    1    .    2]" 
        71 . 1  40 ALA C 1  41 ASN N  1  41 ASN CA 1  41 ASN C -115.00  -67.00  -92.13 -117.65  -71.59  2.65 10  0 "[    .    1    .    2]" 
        72 . 1  41 ASN N 1  41 ASN CA 1  41 ASN C  1  42 GLU N  -48.00   24.00  -23.38  -50.09   17.13  2.09  6  0 "[    .    1    .    2]" 
        73 . 1  41 ASN C 1  42 GLU N  1  42 GLU CA 1  42 GLU C -132.00  -32.00  -76.26 -108.25  -56.97     .  .  0 "[    .    1    .    2]" 
        74 . 1  42 GLU N 1  42 GLU CA 1  42 GLU C  1  43 PRO N   81.00  177.00  116.00   89.19  142.18     .  .  0 "[    .    1    .    2]" 
        75 . 1  43 PRO C 1  44 GLY N  1  44 GLY CA 1  44 GLY C   59.00  107.00   87.60   95.14   90.09  3.89 11  0 "[    .    1    .    2]" 
        76 . 1  44 GLY N 1  44 GLY CA 1  44 GLY C  1  45 LEU N  -37.00   35.00    6.66  -41.15   34.71  4.15 15  0 "[    .    1    .    2]" 
        77 . 1  44 GLY C 1  45 LEU N  1  45 LEU CA 1  45 LEU C -131.00  -43.00 -101.93 -103.78 -106.84     .  .  0 "[    .    1    .    2]" 
        78 . 1  45 LEU N 1  45 LEU CA 1  45 LEU C  1  46 ASP N  -73.00   35.00   -1.58  -64.60   26.69     .  .  0 "[    .    1    .    2]" 
        79 . 1  46 ASP C 1  47 GLY N  1  47 GLY CA 1  47 GLY C   45.00  121.00  104.91  103.78  102.64  3.30  8  0 "[    .    1    .    2]" 
        80 . 1  47 GLY N 1  47 GLY CA 1  47 GLY C  1  48 GLY N  -50.00   70.00   44.91   68.33   59.44  4.45  7  0 "[    .    1    .    2]" 
        81 . 1  47 GLY C 1  48 GLY N  1  48 GLY CA 1  48 GLY C  119.00  -53.00  -95.75 -133.66  -49.53  3.47 17  0 "[    .    1    .    2]" 
        82 . 1  48 GLY N 1  48 GLY CA 1  48 GLY C  1  49 TYR N   92.00 -136.00  144.91  100.25  174.13     .  .  0 "[    .    1    .    2]" 
        83 . 1  48 GLY C 1  49 TYR N  1  49 TYR CA 1  49 TYR C -175.00  -99.00 -119.67 -132.38 -105.31     .  .  0 "[    .    1    .    2]" 
        84 . 1  49 TYR N 1  49 TYR CA 1  49 TYR C  1  50 LEU N  129.00  173.00  136.14  125.82  155.67  3.18  5  0 "[    .    1    .    2]" 
        85 . 1  49 TYR C 1  50 LEU N  1  50 LEU CA 1  50 LEU C -160.00  -92.00 -113.57 -100.73 -104.73     .  .  0 "[    .    1    .    2]" 
        86 . 1  50 LEU N 1  50 LEU CA 1  50 LEU C  1  51 LEU N  103.00  171.00  121.40  118.08  117.81     .  .  0 "[    .    1    .    2]" 
        87 . 1  50 LEU C 1  51 LEU N  1  51 LEU CA 1  51 LEU C -157.00 -105.00 -103.56 -110.90 -100.42  4.58 10  0 "[    .    1    .    2]" 
        88 . 1  51 LEU N 1  51 LEU CA 1  51 LEU C  1  52 LEU N  113.00  165.00  109.57  110.43  109.95  6.26  8  1 "[    .  + 1    .    2]" 
        89 . 1  51 LEU C 1  52 LEU N  1  52 LEU CA 1  52 LEU C -160.00  -68.00  -94.64 -100.40  -88.96     .  .  0 "[    .    1    .    2]" 
        90 . 1  52 LEU N 1  52 LEU CA 1  52 LEU C  1  53 GLY N  123.00 -173.00  130.39  120.71  140.16  2.29 13  0 "[    .    1    .    2]" 
        91 . 1  53 GLY C 1  54 VAL N  1  54 VAL CA 1  54 VAL C -163.00 -115.00 -113.16 -116.30 -109.71  5.29 13  1 "[    .    1  + .    2]" 
        92 . 1  54 VAL N 1  54 VAL CA 1  54 VAL C  1  55 ASP N  135.00  171.00  139.46  133.06  146.33  1.94 13  0 "[    .    1    .    2]" 
        93 . 1  54 VAL C 1  55 ASP N  1  55 ASP CA 1  55 ASP C -153.00 -105.00 -117.71 -109.89 -113.47  1.36 20  0 "[    .    1    .    2]" 
        94 . 1  55 ASP N 1  55 ASP CA 1  55 ASP C  1  56 TRP N  133.00  177.00  148.93  129.07  176.84  3.93  5  0 "[    .    1    .    2]" 
        95 . 1  55 ASP C 1  56 TRP N  1  56 TRP CA 1  56 TRP C -166.00  -98.00 -133.69 -128.97 -136.16     .  .  0 "[    .    1    .    2]" 
        96 . 1  56 TRP N 1  56 TRP CA 1  56 TRP C  1  57 ALA N  129.00  177.00  135.34  125.76  144.67  3.24 10  0 "[    .    1    .    2]" 
        97 . 1  56 TRP C 1  57 ALA N  1  57 ALA CA 1  57 ALA C -166.00 -118.00 -123.92 -148.68 -114.73  3.27  5  0 "[    .    1    .    2]" 
        98 . 1  57 ALA N 1  57 ALA CA 1  57 ALA C  1  58 ILE N  124.00  168.00  139.41  123.40  152.73  0.60  2  0 "[    .    1    .    2]" 
        99 . 1  57 ALA C 1  58 ILE N  1  58 ILE CA 1  58 ILE C -140.00  -80.00  -91.84  -92.00  -96.20     .  .  0 "[    .    1    .    2]" 
       100 . 1  58 ILE N 1  58 ILE CA 1  58 ILE C  1  59 ASN N   93.00  153.00  127.94  128.63  127.33     .  .  0 "[    .    1    .    2]" 
       101 . 1  58 ILE C 1  59 ASN N  1  59 ASN CA 1  59 ASN C  -98.00  -66.00  -81.44  -96.79  -65.28  0.72  4  0 "[    .    1    .    2]" 
       102 . 1  59 ASN N 1  59 ASN CA 1  59 ASN C  1  60 ASP N  117.00 -143.00  179.79 -179.29  178.05     .  .  0 "[    .    1    .    2]" 
       103 . 1  59 ASN C 1  60 ASP N  1  60 ASP CA 1  60 ASP C  -95.00  -39.00  -63.09  -65.23  -65.52     .  .  0 "[    .    1    .    2]" 
       104 . 1  60 ASP N 1  60 ASP CA 1  60 ASP C  1  61 LYS N  -47.00   25.00  -28.15  -44.60    0.26     .  .  0 "[    .    1    .    2]" 
       105 . 1  60 ASP C 1  61 LYS N  1  61 LYS CA 1  61 LYS C -125.00  -65.00  -80.43  -98.32  -66.54     .  .  0 "[    .    1    .    2]" 
       106 . 1  61 LYS N 1  61 LYS CA 1  61 LYS C  1  62 GLY N  -31.00   33.00  -15.60   -1.53  -11.77  0.21  8  0 "[    .    1    .    2]" 
       107 . 1  61 LYS C 1  62 GLY N  1  62 GLY CA 1  62 GLY C   68.00  116.00   95.89   74.36  117.36  1.36  9  0 "[    .    1    .    2]" 
       108 . 1  62 GLY N 1  62 GLY CA 1  62 GLY C  1  63 ASP N  -26.00   46.00   16.14  -17.56   41.54     .  .  0 "[    .    1    .    2]" 
       109 . 1  62 GLY C 1  63 ASP N  1  63 ASP CA 1  63 ASP C -129.00  -49.00  -87.18  -98.94  -99.86  0.39 20  0 "[    .    1    .    2]" 
       110 . 1  63 ASP N 1  63 ASP CA 1  63 ASP C  1  64 THR N  103.00  167.00  137.67  111.54  158.72     .  .  0 "[    .    1    .    2]" 
       111 . 1  63 ASP C 1  64 THR N  1  64 THR CA 1  64 THR C -159.00  -39.00  -90.86  -96.72 -103.92     .  .  0 "[    .    1    .    2]" 
       112 . 1  64 THR N 1  64 THR CA 1  64 THR C  1  65 VAL N   98.00  146.00  113.67  113.03  111.20     .  .  0 "[    .    1    .    2]" 
       113 . 1  64 THR C 1  65 VAL N  1  65 VAL CA 1  65 VAL C -131.00  -75.00 -104.61 -116.49  -98.51     .  .  0 "[    .    1    .    2]" 
       114 . 1  65 VAL N 1  65 VAL CA 1  65 VAL C  1  66 TYR N   94.00  154.00  121.07  121.81  120.80     .  .  0 "[    .    1    .    2]" 
       115 . 1  65 VAL C 1  66 TYR N  1  66 TYR CA 1  66 TYR C -127.00  -95.00  -93.66  -99.05  -89.22  5.78 11  1 "[    .    1+   .    2]" 
       116 . 1  66 TYR N 1  66 TYR CA 1  66 TYR C  1  67 ARG N  116.00  156.00  122.35  124.15  122.05  2.57  4  0 "[    .    1    .    2]" 
       117 . 1  66 TYR C 1  67 ARG N  1  67 ARG CA 1  67 ARG C -157.00  -89.00 -124.21 -147.99 -110.67     .  .  0 "[    .    1    .    2]" 
       118 . 1  67 ARG N 1  67 ARG CA 1  67 ARG C  1  68 PRO N   63.00 -157.00  139.44  109.95  153.52     .  .  0 "[    .    1    .    2]" 
       119 . 1  69 VAL C 1  70 GLY N  1  70 GLY CA 1  70 GLY C   63.00  -65.00   80.19   73.60   86.44     .  .  0 "[    .    1    .    2]" 
       120 . 1  70 GLY N 1  70 GLY CA 1  70 GLY C  1  71 LEU N  123.00 -169.00 -177.61 -176.73 -178.22  1.46  4  0 "[    .    1    .    2]" 
       121 . 1  70 GLY C 1  71 LEU N  1  71 LEU CA 1  71 LEU C -152.00  -96.00 -106.92 -121.57  -95.09  0.91  6  0 "[    .    1    .    2]" 
       122 . 1  71 LEU N 1  71 LEU CA 1  71 LEU C  1  72 PRO N   58.00 -174.00  132.88  116.20  143.25     .  .  0 "[    .    1    .    2]" 
       123 . 1  72 PRO C 1  73 ASP N  1  73 ASP CA 1  73 ASP C  174.00  -74.00 -130.86 -140.58 -145.49     .  .  0 "[    .    1    .    2]" 
       124 . 1  73 ASP N 1  73 ASP CA 1  73 ASP C  1  74 PRO N   21.00  173.00   78.02   59.77  101.55     .  .  0 "[    .    1    .    2]" 
       125 . 1  74 PRO C 1  75 ASP N  1  75 ASP CA 1  75 ASP C  -74.00  -54.00  -68.21  -73.80  -62.38     .  .  0 "[    .    1    .    2]" 
       126 . 1  75 ASP N 1  75 ASP CA 1  75 ASP C  1  76 LYS N  -54.00  -14.00  -42.08  -47.63  -51.46     .  .  0 "[    .    1    .    2]" 
       127 . 1  75 ASP C 1  76 LYS N  1  76 LYS CA 1  76 LYS C  -75.00  -55.00  -64.93  -72.31  -59.26     .  .  0 "[    .    1    .    2]" 
       128 . 1  76 LYS N 1  76 LYS CA 1  76 LYS C  1  77 VAL N  -53.00  -33.00  -41.72  -34.17  -35.69  1.77  9  0 "[    .    1    .    2]" 
       129 . 1  76 LYS C 1  77 VAL N  1  77 VAL CA 1  77 VAL C  -74.00  -54.00  -59.88  -65.35  -52.24  1.76  9  0 "[    .    1    .    2]" 
       130 . 1  77 VAL N 1  77 VAL CA 1  77 VAL C  1  78 GLN N  -53.00  -33.00  -42.44  -47.83  -35.32     .  .  0 "[    .    1    .    2]" 
       131 . 1  77 VAL C 1  78 GLN N  1  78 GLN CA 1  78 GLN C  -71.00  -51.00  -62.74  -66.05  -67.15     .  .  0 "[    .    1    .    2]" 
       132 . 1  78 GLN N 1  78 GLN CA 1  78 GLN C  1  79 ARG N  -49.00  -29.00  -45.86  -52.38  -33.35  3.38 19  0 "[    .    1    .    2]" 
       133 . 1  78 GLN C 1  79 ARG N  1  79 ARG CA 1  79 ARG C  -75.00  -55.00  -71.32  -75.85  -63.63  0.85 10  0 "[    .    1    .    2]" 
       134 . 1  79 ARG N 1  79 ARG CA 1  79 ARG C  1  80 ASP N  -50.00  -26.00  -42.94  -48.29  -49.59  1.19  1  0 "[    .    1    .    2]" 
       135 . 1  79 ARG C 1  80 ASP N  1  80 ASP CA 1  80 ASP C  -76.00  -56.00  -64.88  -72.54  -55.34  0.66  9  0 "[    .    1    .    2]" 
       136 . 1  80 ASP N 1  80 ASP CA 1  80 ASP C  1  81 LEU N  -54.00  -30.00  -35.65  -38.86  -41.17  1.93 20  0 "[    .    1    .    2]" 
       137 . 1  80 ASP C 1  81 LEU N  1  81 LEU CA 1  81 LEU C  -75.00  -55.00  -68.44  -72.87  -63.07     .  .  0 "[    .    1    .    2]" 
       138 . 1  81 LEU N 1  81 LEU CA 1  81 LEU C  1  82 ALA N  -54.00  -34.00  -40.38  -45.11  -32.81  1.19  1  0 "[    .    1    .    2]" 
       139 . 1  81 LEU C 1  82 ALA N  1  82 ALA CA 1  82 ALA C  -71.00  -51.00  -64.93  -63.87  -64.06     .  .  0 "[    .    1    .    2]" 
       140 . 1  82 ALA N 1  82 ALA CA 1  82 ALA C  1  83 SER N  -56.00  -28.00  -37.93  -44.83  -27.47  0.53 17  0 "[    .    1    .    2]" 
       141 . 1  82 ALA C 1  83 SER N  1  83 SER CA 1  83 SER C  -73.00  -53.00  -66.82  -59.23  -60.89  0.95 17  0 "[    .    1    .    2]" 
       142 . 1  83 SER N 1  83 SER CA 1  83 SER C  1  84 GLN N  -52.00  -32.00  -51.06  -53.23  -41.39  1.23 10  0 "[    .    1    .    2]" 
       143 . 1  83 SER C 1  84 GLN N  1  84 GLN CA 1  84 GLN C  -74.00  -54.00  -66.07  -71.13  -53.92  0.08  1  0 "[    .    1    .    2]" 
       144 . 1  84 GLN N 1  84 GLN CA 1  84 GLN C  1  85 CYS N  -53.00  -33.00  -32.87  -34.72  -44.87  5.02  9  1 "[    .   +1    .    2]" 
       145 . 1  84 GLN C 1  85 CYS N  1  85 CYS CA 1  85 CYS C  -82.00  -46.00  -63.62  -69.73  -72.61     .  .  0 "[    .    1    .    2]" 
       146 . 1  85 CYS N 1  85 CYS CA 1  85 CYS C  1  86 ALA N  -55.00  -19.00  -26.88  -35.30  -18.37  0.63  1  0 "[    .    1    .    2]" 
       147 . 1  85 CYS C 1  86 ALA N  1  86 ALA CA 1  86 ALA C  -90.00  -50.00  -84.73  -79.24  -81.45  1.11  5  0 "[    .    1    .    2]" 
       148 . 1  86 ALA N 1  86 ALA CA 1  86 ALA C  1  87 SER N  -58.00  -14.00  -35.63  -29.71  -33.58     .  .  0 "[    .    1    .    2]" 
       149 . 1  86 ALA C 1  87 SER N  1  87 SER CA 1  87 SER C -112.00  -44.00  -88.50 -112.31  -68.70  0.31 19  0 "[    .    1    .    2]" 
       150 . 1  87 SER N 1  87 SER CA 1  87 SER C  1  88 MET N  -72.00   12.00  -29.68  -33.91  -37.24     .  .  0 "[    .    1    .    2]" 
       151 . 1  87 SER C 1  88 MET N  1  88 MET CA 1  88 MET C -105.00  -53.00  -82.50  -67.30  -67.86     .  .  0 "[    .    1    .    2]" 
       152 . 1  88 MET N 1  88 MET CA 1  88 MET C  1  89 LEU N  -62.00    6.00  -44.02  -60.94  -17.62     .  .  0 "[    .    1    .    2]" 
       153 . 1  90 ASN C 1  91 VAL N  1  91 VAL CA 1  91 VAL C -165.00  -85.00 -115.61 -133.61  -97.36     .  .  0 "[    .    1    .    2]" 
       154 . 1  91 VAL N 1  91 VAL CA 1  91 VAL C  1  92 ALA N  132.00  172.00  165.05  167.68  163.65  4.77  2  0 "[    .    1    .    2]" 
       155 . 1  91 VAL C 1  92 ALA N  1  92 ALA CA 1  92 ALA C -149.00  -69.00  -73.68  -68.73  -70.62  1.90  2  0 "[    .    1    .    2]" 
       156 . 1  92 ALA N 1  92 ALA CA 1  92 ALA C  1  93 LEU N  100.00  152.00  100.38   96.06  117.57  3.94 16  0 "[    .    1    .    2]" 
       157 . 1  92 ALA C 1  93 LEU N  1  93 LEU CA 1  93 LEU C -143.00  -79.00  -91.15  -96.24  -98.84  3.30 15  0 "[    .    1    .    2]" 
       158 . 1  93 LEU N 1  93 LEU CA 1  93 LEU C  1  94 ARG N  106.00 -174.00  127.20  106.67  142.66     .  .  0 "[    .    1    .    2]" 
       159 . 1  93 LEU C 1  94 ARG N  1  94 ARG CA 1  94 ARG C -147.00  -67.00 -105.48 -116.10  -96.20     .  .  0 "[    .    1    .    2]" 
       160 . 1  94 ARG N 1  94 ARG CA 1  94 ARG C  1  95 PRO N   63.00 -177.00   97.25   82.25  109.61     .  .  0 "[    .    1    .    2]" 
       161 . 1  95 PRO C 1  96 GLU N  1  96 GLU CA 1  96 GLU C -154.00  -62.00  -91.16 -112.85  -71.65     .  .  0 "[    .    1    .    2]" 
       162 . 1  96 GLU N 1  96 GLU CA 1  96 GLU C  1  97 MET N   99.00  171.00  117.20   96.99  141.13  2.01  2  0 "[    .    1    .    2]" 
       163 . 1  96 GLU C 1  97 MET N  1  97 MET CA 1  97 MET C -153.00 -101.00 -121.31 -105.13 -110.15     .  .  0 "[    .    1    .    2]" 
       164 . 1  97 MET N 1  97 MET CA 1  97 MET C  1  98 GLN N  117.00 -179.00  127.94  134.89  133.51  2.88  4  0 "[    .    1    .    2]" 
       165 . 1  97 MET C 1  98 GLN N  1  98 GLN CA 1  98 GLN C -165.00 -109.00 -134.45 -151.59 -114.99     .  .  0 "[    .    1    .    2]" 
       166 . 1  98 GLN N 1  98 GLN CA 1  98 GLN C  1  99 LEU N  115.00  155.00  137.04  123.75  151.90     .  .  0 "[    .    1    .    2]" 
       167 . 1  98 GLN C 1  99 LEU N  1  99 LEU CA 1  99 LEU C -137.00  -73.00  -91.97  -86.26  -88.29     .  .  0 "[    .    1    .    2]" 
       168 . 1  99 LEU N 1  99 LEU CA 1  99 LEU C  1 100 GLU N  112.00  140.00  118.03  123.19  119.35  2.27 20  0 "[    .    1    .    2]" 
       169 . 1  99 LEU C 1 100 GLU N  1 100 GLU CA 1 100 GLU C -178.00  -90.00 -122.60 -142.24 -102.16     .  .  0 "[    .    1    .    2]" 
       170 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C  1 101 GLN N  126.00  178.00  133.42  145.75  136.48  1.14  8  0 "[    .    1    .    2]" 
       171 . 1 100 GLU C 1 101 GLN N  1 101 GLN CA 1 101 GLN C -136.00  -76.00  -95.43 -101.21  -88.38     .  .  0 "[    .    1    .    2]" 
       172 . 1 101 GLN N 1 101 GLN CA 1 101 GLN C  1 102 VAL N  103.00  147.00  119.53  104.06  129.90     .  .  0 "[    .    1    .    2]" 
       173 . 1 101 GLN C 1 102 VAL N  1 102 VAL CA 1 102 VAL C -153.00  -93.00 -124.82 -137.31 -115.16     .  .  0 "[    .    1    .    2]" 
       174 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C  1 103 GLY N   96.00  152.00  117.10  107.74  131.58     .  .  0 "[    .    1    .    2]" 
       175 . 1 102 VAL C 1 103 GLY N  1 103 GLY CA 1 103 GLY C   39.00   71.00   56.69   58.73   57.89     .  .  0 "[    .    1    .    2]" 
       176 . 1 103 GLY N 1 103 GLY CA 1 103 GLY C  1 104 GLY N   30.00   54.00   29.94   26.63   41.53  3.37  9  0 "[    .    1    .    2]" 
       177 . 1 103 GLY C 1 104 GLY N  1 104 GLY CA 1 104 GLY C   60.00   96.00   86.41   78.84   95.02     .  .  0 "[    .    1    .    2]" 
       178 . 1 104 GLY N 1 104 GLY CA 1 104 GLY C  1 105 LYS N  -21.00   27.00    3.28   -5.71   10.61     .  .  0 "[    .    1    .    2]" 
       179 . 1 104 GLY C 1 105 LYS N  1 105 LYS CA 1 105 LYS C  170.00   26.00 -108.18 -103.01 -107.44     .  .  0 "[    .    1    .    2]" 
       180 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C  1 106 THR N  105.00 -175.00  136.03  119.20  165.76     .  .  0 "[    .    1    .    2]" 
       181 . 1 105 LYS C 1 106 THR N  1 106 THR CA 1 106 THR C -119.00  -51.00  -95.40  -95.34  -96.98  1.43  8  0 "[    .    1    .    2]" 
       182 . 1 106 THR N 1 106 THR CA 1 106 THR C  1 107 LEU N  107.00  151.00  118.86  102.41  134.88  4.59  7  0 "[    .    1    .    2]" 
       183 . 1 106 THR C 1 107 LEU N  1 107 LEU CA 1 107 LEU C -150.00  -82.00 -109.20  -99.09 -111.66     .  .  0 "[    .    1    .    2]" 
       184 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C  1 108 LEU N  118.00  170.00  164.82  154.42  171.41  1.41 15  0 "[    .    1    .    2]" 
       185 . 1 107 LEU C 1 108 LEU N  1 108 LEU CA 1 108 LEU C -159.00 -111.00 -117.89 -115.95 -116.69     .  .  0 "[    .    1    .    2]" 
       186 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C  1 109 VAL N  111.00  163.00  117.46  116.39  115.61  1.16 20  0 "[    .    1    .    2]" 
       187 . 1 108 LEU C 1 109 VAL N  1 109 VAL CA 1 109 VAL C -140.00  -84.00  -88.11  -99.05  -82.53  1.47  1  0 "[    .    1    .    2]" 
       188 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C  1 110 VAL N  106.00  138.00  119.25  111.01  106.43  0.37 11  0 "[    .    1    .    2]" 
       189 . 1 109 VAL C 1 110 VAL N  1 110 VAL CA 1 110 VAL C -142.00  -94.00 -110.10 -121.92  -92.88  1.12  1  0 "[    .    1    .    2]" 
       190 . 1 110 VAL N 1 110 VAL CA 1 110 VAL C  1 111 TYR N  103.00  163.00  101.59  100.92  100.59  4.31 11  0 "[    .    1    .    2]" 
       191 . 1 110 VAL C 1 111 TYR N  1 111 TYR CA 1 111 TYR C -165.00  -69.00  -83.08  -84.60  -85.02     .  .  0 "[    .    1    .    2]" 
       192 . 1 111 TYR N 1 111 TYR CA 1 111 TYR C  1 112 VAL N   92.00  148.00  121.26  125.83  124.47     .  .  0 "[    .    1    .    2]" 
       193 . 1 111 TYR C 1 112 VAL N  1 112 VAL CA 1 112 VAL C -155.00  -39.00 -107.17 -100.27 -102.29     .  .  0 "[    .    1    .    2]" 
       194 . 1 112 VAL N 1 112 VAL CA 1 112 VAL C  1 113 PRO N   94.00  150.00  103.62  100.34   99.29     .  .  0 "[    .    1    .    2]" 
       195 . 1 113 PRO C 1 114 GLU N  1 114 GLU CA 1 114 GLU C -123.00  -55.00  -72.85  -93.64  -58.24     .  .  0 "[    .    1    .    2]" 
       196 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C  1 115 ALA N   99.00  159.00  137.13  133.91  132.97  2.74 14  0 "[    .    1    .    2]" 
       197 . 1 114 GLU C 1 115 ALA N  1 115 ALA CA 1 115 ALA C -144.00  -40.00  -83.96 -124.34  -55.86     .  .  0 "[    .    1    .    2]" 
       198 . 1 115 ALA N 1 115 ALA CA 1 115 ALA C  1 116 ASP N  101.00  177.00  157.94  166.87  158.03  2.92 10  0 "[    .    1    .    2]" 
       199 . 1 115 ALA C 1 116 ASP N  1 116 ASP CA 1 116 ASP C -142.00  -38.00  -71.65  -86.85  -62.40     .  .  0 "[    .    1    .    2]" 
       200 . 1 116 ASP N 1 116 ASP CA 1 116 ASP C  1 117 VAL N  120.00 -176.00  158.27  124.35 -175.61  0.39  3  0 "[    .    1    .    2]" 
       201 . 1 116 ASP C 1 117 VAL N  1 117 VAL CA 1 117 VAL C  -73.00  -41.00  -51.59  -47.41  -52.88  2.99  6  0 "[    .    1    .    2]" 
       202 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C  1 118 THR N  -52.00  -24.00  -38.21  -42.92  -49.69  4.17  5  0 "[    .    1    .    2]" 
       203 . 1 117 VAL C 1 118 THR N  1 118 THR CA 1 118 THR C  -99.00  -51.00  -66.66  -66.43  -67.66     .  .  0 "[    .    1    .    2]" 
       204 . 1 118 THR N 1 118 THR CA 1 118 THR C  1 119 HIS N  -49.00   19.00  -35.99  -49.94    6.44  0.94  3  0 "[    .    1    .    2]" 
       205 . 1 119 HIS C 1 120 LYS N  1 120 LYS CA 1 120 LYS C -167.00  -55.00  -53.93  -47.14  -47.98 11.50 13 12 "[ *- **   *  + ******]" 
       206 . 1 120 LYS N 1 120 LYS CA 1 120 LYS C  1 121 PRO N   44.00 -160.00 -150.15 -163.77 -139.08 20.92  5 15 "[****+****-****.  * 2]" 
       207 . 1 121 PRO C 1 122 ILE N  1 122 ILE CA 1 122 ILE C -134.00  -62.00  -85.50  -80.00  -81.54     .  .  0 "[    .    1    .    2]" 
       208 . 1 122 ILE N 1 122 ILE CA 1 122 ILE C  1 123 TYR N   79.00  167.00  105.61   77.53   77.44  1.56  1  0 "[    .    1    .    2]" 
       209 . 1 122 ILE C 1 123 TYR N  1 123 TYR CA 1 123 TYR C -170.00  -82.00 -113.81  -82.95  -88.51  2.51 12  0 "[    .    1    .    2]" 
       210 . 1 123 TYR N 1 123 TYR CA 1 123 TYR C  1 124 LYS N  140.00 -172.00  156.15  139.53 -176.86  0.47  6  0 "[    .    1    .    2]" 
       211 . 1 123 TYR C 1 124 LYS N  1 124 LYS CA 1 124 LYS C -127.00  -39.00  -77.21  -72.44  -75.31     .  .  0 "[    .    1    .    2]" 
       212 . 1 124 LYS N 1 124 LYS CA 1 124 LYS C  1 125 LYS N   94.00  158.00  135.87   90.74  157.27  3.26 12  0 "[    .    1    .    2]" 
    stop_

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