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
606613 5kp0 30127 cing 4-filtered-FRED Wattos check violation dihedral angle


data_5kp0


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              216
    _TA_constraint_stats_list.Viol_count                    190
    _TA_constraint_stats_list.Viol_total                    8586.27
    _TA_constraint_stats_list.Viol_max                      8.56
    _TA_constraint_stats_list.Viol_rms                      0.64
    _TA_constraint_stats_list.Viol_average_all_restraints   0.10
    _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   3 SER C 1   4 THR N  1   4 THR CA 1   4 THR C  -83.90 -43.90 -61.37  -71.82 -55.32    .  .  0 "[    .    1    .    2]" 
         2 . 1   4 THR N 1   4 THR CA 1   4 THR C  1   5 VAL N  -57.20 -17.20 -54.36  -58.92 -44.37 1.72 14  0 "[    .    1    .    2]" 
         3 . 1   4 THR C 1   5 VAL N  1   5 VAL CA 1   5 VAL C  -87.00 -47.00 -62.44  -68.41 -57.57    .  .  0 "[    .    1    .    2]" 
         4 . 1   5 VAL N 1   5 VAL CA 1   5 VAL C  1   6 GLU N  -60.90 -20.90 -45.24  -33.78 -37.96    .  .  0 "[    .    1    .    2]" 
         5 . 1   5 VAL C 1   6 GLU N  1   6 GLU CA 1   6 GLU C  -86.10 -46.10 -58.03  -56.88 -57.33    .  .  0 "[    .    1    .    2]" 
         6 . 1   6 GLU N 1   6 GLU CA 1   6 GLU C  1   7 PHE N  -59.90 -19.90 -51.64  -60.53 -39.95 0.63  2  0 "[    .    1    .    2]" 
         7 . 1   6 GLU C 1   7 PHE N  1   7 PHE CA 1   7 PHE C  -84.10 -44.10 -60.09  -58.62 -59.16    .  .  0 "[    .    1    .    2]" 
         8 . 1   7 PHE N 1   7 PHE CA 1   7 PHE C  1   8 ILE N  -64.90 -24.90 -54.32  -52.90 -54.01    .  .  0 "[    .    1    .    2]" 
         9 . 1   7 PHE C 1   8 ILE N  1   8 ILE CA 1   8 ILE C  -85.10 -45.10 -64.77  -67.44 -68.29    .  .  0 "[    .    1    .    2]" 
        10 . 1   8 ILE N 1   8 ILE CA 1   8 ILE C  1   9 ASN N  -61.20 -21.20 -43.69  -52.79 -33.28    .  .  0 "[    .    1    .    2]" 
        11 . 1   8 ILE C 1   9 ASN N  1   9 ASN CA 1   9 ASN C  -85.10 -45.10 -70.48  -80.99 -64.77    .  .  0 "[    .    1    .    2]" 
        12 . 1   9 ASN N 1   9 ASN CA 1   9 ASN C  1  10 ARG N  -59.40 -19.40 -34.20  -30.49 -32.52    .  .  0 "[    .    1    .    2]" 
        13 . 1   9 ASN C 1  10 ARG N  1  10 ARG CA 1  10 ARG C  -86.30 -46.30 -70.03  -85.97 -61.37    .  .  0 "[    .    1    .    2]" 
        14 . 1  10 ARG N 1  10 ARG CA 1  10 ARG C  1  11 TRP N  -59.70 -19.70 -47.09  -54.35 -23.36    .  .  0 "[    .    1    .    2]" 
        15 . 1  10 ARG C 1  11 TRP N  1  11 TRP CA 1  11 TRP C  -85.60 -45.60 -59.95  -56.86 -57.85    .  .  0 "[    .    1    .    2]" 
        16 . 1  11 TRP N 1  11 TRP CA 1  11 TRP C  1  12 GLN N  -60.00 -20.00 -37.60  -37.80 -38.21    .  .  0 "[    .    1    .    2]" 
        17 . 1  11 TRP C 1  12 GLN N  1  12 GLN CA 1  12 GLN C  -84.20 -44.20 -62.13  -61.54 -62.21    .  .  0 "[    .    1    .    2]" 
        18 . 1  12 GLN N 1  12 GLN CA 1  12 GLN C  1  13 ARG N  -61.50 -21.50 -47.09  -57.73 -40.20    .  .  0 "[    .    1    .    2]" 
        19 . 1  12 GLN C 1  13 ARG N  1  13 ARG CA 1  13 ARG C  -85.30 -45.30 -61.50  -62.75 -65.50    .  .  0 "[    .    1    .    2]" 
        20 . 1  13 ARG N 1  13 ARG CA 1  13 ARG C  1  14 ILE N  -59.90 -19.90 -42.01  -36.47 -40.38    .  .  0 "[    .    1    .    2]" 
        21 . 1  13 ARG C 1  14 ILE N  1  14 ILE CA 1  14 ILE C  -87.70 -47.70 -66.65  -70.63 -62.68    .  .  0 "[    .    1    .    2]" 
        22 . 1  14 ILE N 1  14 ILE CA 1  14 ILE C  1  15 ALA N  -58.90 -18.90 -38.92  -39.24 -39.43    .  .  0 "[    .    1    .    2]" 
        23 . 1  14 ILE C 1  15 ALA N  1  15 ALA CA 1  15 ALA C  -84.70 -44.70 -65.43  -70.47 -61.57    .  .  0 "[    .    1    .    2]" 
        24 . 1  15 ALA N 1  15 ALA CA 1  15 ALA C  1  16 LEU N  -62.80 -22.80 -45.72  -43.13 -43.76    .  .  0 "[    .    1    .    2]" 
        25 . 1  15 ALA C 1  16 LEU N  1  16 LEU CA 1  16 LEU C  -85.60 -45.60 -66.28  -71.09 -71.36    .  .  0 "[    .    1    .    2]" 
        26 . 1  16 LEU N 1  16 LEU CA 1  16 LEU C  1  17 LEU N  -60.50 -20.50 -42.15  -49.92 -32.84    .  .  0 "[    .    1    .    2]" 
        27 . 1  16 LEU C 1  17 LEU N  1  17 LEU CA 1  17 LEU C  -84.70 -44.70 -64.03  -64.27 -65.23    .  .  0 "[    .    1    .    2]" 
        28 . 1  17 LEU N 1  17 LEU CA 1  17 LEU C  1  18 SER N  -63.90 -23.90 -50.01  -49.48 -50.23    .  .  0 "[    .    1    .    2]" 
        29 . 1  17 LEU C 1  18 SER N  1  18 SER CA 1  18 SER C  -84.00 -44.00 -62.82  -69.58 -55.46    .  .  0 "[    .    1    .    2]" 
        30 . 1  18 SER N 1  18 SER CA 1  18 SER C  1  19 GLN N  -60.50 -20.50 -39.48  -45.85 -34.90    .  .  0 "[    .    1    .    2]" 
        31 . 1  18 SER C 1  19 GLN N  1  19 GLN CA 1  19 GLN C  -86.90 -46.90 -66.88  -76.48 -56.59    .  .  0 "[    .    1    .    2]" 
        32 . 1  19 GLN N 1  19 GLN CA 1  19 GLN C  1  20 SER N  -61.40 -21.40 -44.59  -41.43 -47.79 1.69 17  0 "[    .    1    .    2]" 
        33 . 1  19 GLN C 1  20 SER N  1  20 SER CA 1  20 SER C  -85.60 -45.60 -61.22  -69.82 -52.83    .  .  0 "[    .    1    .    2]" 
        34 . 1  20 SER N 1  20 SER CA 1  20 SER C  1  21 LEU N  -59.60 -19.60 -51.40  -60.30 -40.90 0.70 11  0 "[    .    1    .    2]" 
        35 . 1  20 SER C 1  21 LEU N  1  21 LEU CA 1  21 LEU C  -85.50 -45.50 -60.49  -56.31 -57.89    .  .  0 "[    .    1    .    2]" 
        36 . 1  21 LEU N 1  21 LEU CA 1  21 LEU C  1  22 LEU N  -60.20 -20.20 -33.97  -38.66 -28.76    .  .  0 "[    .    1    .    2]" 
        37 . 1  21 LEU C 1  22 LEU N  1  22 LEU CA 1  22 LEU C  -85.80 -45.80 -64.66  -64.19 -64.26    .  .  0 "[    .    1    .    2]" 
        38 . 1  22 LEU N 1  22 LEU CA 1  22 LEU C  1  23 GLU N  -60.80 -20.80 -49.96  -56.12 -39.62    .  .  0 "[    .    1    .    2]" 
        39 . 1  22 LEU C 1  23 GLU N  1  23 GLU CA 1  23 GLU C  -85.20 -45.20 -58.69  -65.77 -52.49    .  .  0 "[    .    1    .    2]" 
        40 . 1  23 GLU N 1  23 GLU CA 1  23 GLU C  1  24 LEU N  -61.00 -21.00 -41.21  -45.89 -47.77    .  .  0 "[    .    1    .    2]" 
        41 . 1  23 GLU C 1  24 LEU N  1  24 LEU CA 1  24 LEU C  -84.80 -44.80 -65.08  -77.07 -54.20    .  .  0 "[    .    1    .    2]" 
        42 . 1  24 LEU N 1  24 LEU CA 1  24 LEU C  1  25 ALA N  -60.60 -20.60 -40.64  -35.91 -41.10    .  .  0 "[    .    1    .    2]" 
        43 . 1  24 LEU C 1  25 ALA N  1  25 ALA CA 1  25 ALA C  -84.80 -44.80 -67.37  -65.41 -65.93    .  .  0 "[    .    1    .    2]" 
        44 . 1  25 ALA N 1  25 ALA CA 1  25 ALA C  1  26 GLN N  -58.20 -18.20 -37.42  -46.66 -31.00    .  .  0 "[    .    1    .    2]" 
        45 . 1  25 ALA C 1  26 GLN N  1  26 GLN CA 1  26 GLN C  -87.40 -47.40 -68.37  -70.79 -71.56    .  .  0 "[    .    1    .    2]" 
        46 . 1  26 GLN N 1  26 GLN CA 1  26 GLN C  1  27 ARG N  -47.30  -7.30 -33.31  -39.66 -22.38    .  .  0 "[    .    1    .    2]" 
        47 . 1  26 GLN C 1  27 ARG N  1  27 ARG CA 1  27 ARG C -107.50 -67.50 -85.08  -81.92 -84.54    .  .  0 "[    .    1    .    2]" 
        48 . 1  27 ARG N 1  27 ARG CA 1  27 ARG C  1  28 GLY N  -24.80  15.20 -17.83  -27.44   8.66 2.64  3  0 "[    .    1    .    2]" 
        49 . 1  27 ARG C 1  28 GLY N  1  28 GLY CA 1  28 GLY C   58.60  98.60  89.23   93.20  91.32 2.37 10  0 "[    .    1    .    2]" 
        50 . 1  28 GLY N 1  28 GLY CA 1  28 GLY C  1  29 GLU N   -2.80  37.20  17.55   12.76  11.67    .  .  0 "[    .    1    .    2]" 
        51 . 1  28 GLY C 1  29 GLU N  1  29 GLU CA 1  29 GLU C -108.20 -68.20 -79.36  -78.37 -79.39    .  .  0 "[    .    1    .    2]" 
        52 . 1  29 GLU N 1  29 GLU CA 1  29 GLU C  1  30 TRP N   50.30  90.30  76.37   63.68  95.22 4.92 12  0 "[    .    1    .    2]" 
        53 . 1  29 GLU C 1  30 TRP N  1  30 TRP CA 1  30 TRP C  -88.60 -48.60 -72.07  -73.91 -75.96 1.79 12  0 "[    .    1    .    2]" 
        54 . 1  30 TRP N 1  30 TRP CA 1  30 TRP C  1  31 ASP N  -53.40 -13.40 -29.38  -37.26 -13.53    .  .  0 "[    .    1    .    2]" 
        55 . 1  30 TRP C 1  31 ASP N  1  31 ASP CA 1  31 ASP C  -81.80 -41.80 -62.00  -71.18 -52.84    .  .  0 "[    .    1    .    2]" 
        56 . 1  31 ASP N 1  31 ASP CA 1  31 ASP C  1  32 LEU N  -63.40 -23.40 -46.35  -49.90 -50.75    .  .  0 "[    .    1    .    2]" 
        57 . 1  31 ASP C 1  32 LEU N  1  32 LEU CA 1  32 LEU C  -88.80 -48.80 -70.58  -64.36 -66.01    .  .  0 "[    .    1    .    2]" 
        58 . 1  32 LEU N 1  32 LEU CA 1  32 LEU C  1  33 LEU N  -58.90 -18.90 -26.64  -37.47 -16.43 2.47 15  0 "[    .    1    .    2]" 
        59 . 1  32 LEU C 1  33 LEU N  1  33 LEU CA 1  33 LEU C  -83.90 -43.90 -65.50  -66.15 -66.52    .  .  0 "[    .    1    .    2]" 
        60 . 1  33 LEU N 1  33 LEU CA 1  33 LEU C  1  34 LEU N  -64.30 -24.30 -46.30  -38.80 -41.94    .  .  0 "[    .    1    .    2]" 
        61 . 1  33 LEU C 1  34 LEU N  1  34 LEU CA 1  34 LEU C  -87.40 -47.40 -68.90  -74.38 -63.30    .  .  0 "[    .    1    .    2]" 
        62 . 1  34 LEU N 1  34 LEU CA 1  34 LEU C  1  35 GLN N  -55.50 -15.50 -29.68  -38.17 -21.52    .  .  0 "[    .    1    .    2]" 
        63 . 1  34 LEU C 1  35 GLN N  1  35 GLN CA 1  35 GLN C  -87.50 -47.50 -73.13  -71.93 -72.82    .  .  0 "[    .    1    .    2]" 
        64 . 1  35 GLN N 1  35 GLN CA 1  35 GLN C  1  36 GLN N  -56.90 -16.90 -53.64  -52.84 -55.44 2.16 13  0 "[    .    1    .    2]" 
        65 . 1  35 GLN C 1  36 GLN N  1  36 GLN CA 1  36 GLN C  -88.20 -48.20 -80.91  -89.76 -73.44 1.56  8  0 "[    .    1    .    2]" 
        66 . 1  36 GLN N 1  36 GLN CA 1  36 GLN C  1  37 GLU N  -56.80 -16.80  -9.79  -12.67  -8.24 8.56 11 19  [*********1+*-*******]  
        67 . 1  36 GLN C 1  37 GLU N  1  37 GLU CA 1  37 GLU C  -85.80 -45.80 -44.86  -47.94 -42.14 3.66 20  0 "[    .    1    .    2]" 
        68 . 1  37 GLU N 1  37 GLU CA 1  37 GLU C  1  38 VAL N  -62.90 -22.90 -56.87  -65.74 -46.27 2.84 11  0 "[    .    1    .    2]" 
        69 . 1  37 GLU C 1  38 VAL N  1  38 VAL CA 1  38 VAL C  -83.70 -43.70 -59.06  -58.10 -59.40    .  .  0 "[    .    1    .    2]" 
        70 . 1  38 VAL N 1  38 VAL CA 1  38 VAL C  1  39 SER N  -62.70 -22.70 -40.30  -61.55 -26.18    .  .  0 "[    .    1    .    2]" 
        71 . 1  38 VAL C 1  39 SER N  1  39 SER CA 1  39 SER C  -85.50 -45.50 -66.91  -61.80 -63.77    .  .  0 "[    .    1    .    2]" 
        72 . 1  39 SER N 1  39 SER CA 1  39 SER C  1  40 TYR N  -57.30 -17.30 -42.24  -46.14 -46.58    .  .  0 "[    .    1    .    2]" 
        73 . 1  39 SER C 1  40 TYR N  1  40 TYR CA 1  40 TYR C  -84.60 -44.60 -69.56  -68.09 -68.82    .  .  0 "[    .    1    .    2]" 
        74 . 1  40 TYR N 1  40 TYR CA 1  40 TYR C  1  41 LEU N  -65.70 -25.70 -47.21  -47.41 -48.35    .  .  0 "[    .    1    .    2]" 
        75 . 1  40 TYR C 1  41 LEU N  1  41 LEU CA 1  41 LEU C  -86.60 -46.60 -68.92  -73.04 -64.99    .  .  0 "[    .    1    .    2]" 
        76 . 1  41 LEU N 1  41 LEU CA 1  41 LEU C  1  42 GLN N  -57.70 -17.70 -32.73  -40.10 -26.63    .  .  0 "[    .    1    .    2]" 
        77 . 1  41 LEU C 1  42 GLN N  1  42 GLN CA 1  42 GLN C  -87.00 -47.00 -66.74  -76.63 -58.91    .  .  0 "[    .    1    .    2]" 
        78 . 1  42 GLN N 1  42 GLN CA 1  42 GLN C  1  43 SER N  -58.20 -18.20 -44.27  -40.83 -43.98    .  .  0 "[    .    1    .    2]" 
        79 . 1  42 GLN C 1  43 SER N  1  43 SER CA 1  43 SER C  -87.30 -47.30 -64.30  -67.87 -59.23    .  .  0 "[    .    1    .    2]" 
        80 . 1  43 SER N 1  43 SER CA 1  43 SER C  1  44 ILE N  -60.30 -20.30 -39.16  -40.29 -41.32    .  .  0 "[    .    1    .    2]" 
        81 . 1  43 SER C 1  44 ILE N  1  44 ILE CA 1  44 ILE C  -86.40 -46.40 -58.00  -61.65 -54.56    .  .  0 "[    .    1    .    2]" 
        82 . 1  44 ILE N 1  44 ILE CA 1  44 ILE C  1  45 GLU N  -58.80 -18.80 -52.70  -51.97 -52.79    .  .  0 "[    .    1    .    2]" 
        83 . 1  44 ILE C 1  45 GLU N  1  45 GLU CA 1  45 GLU C  -86.20 -46.20 -62.62  -60.19 -62.31    .  .  0 "[    .    1    .    2]" 
        84 . 1  45 GLU N 1  45 GLU CA 1  45 GLU C  1  46 THR N  -58.90 -18.90 -44.32  -56.38 -29.94    .  .  0 "[    .    1    .    2]" 
        85 . 1  45 GLU C 1  46 THR N  1  46 THR CA 1  46 THR C  -87.10 -47.10 -72.84  -72.28 -72.43    .  .  0 "[    .    1    .    2]" 
        86 . 1  46 THR N 1  46 THR CA 1  46 THR C  1  47 VAL N  -57.90 -17.90 -31.64  -27.28 -29.33    .  .  0 "[    .    1    .    2]" 
        87 . 1  46 THR C 1  47 VAL N  1  47 VAL CA 1  47 VAL C  -87.80 -47.80 -75.94  -79.99 -69.61    .  .  0 "[    .    1    .    2]" 
        88 . 1  47 VAL N 1  47 VAL CA 1  47 VAL C  1  48 MET N  -56.60 -16.60 -35.15  -41.14 -29.43    .  .  0 "[    .    1    .    2]" 
        89 . 1  47 VAL C 1  48 MET N  1  48 MET CA 1  48 MET C  -89.10 -49.10 -75.43  -80.10 -68.13    .  .  0 "[    .    1    .    2]" 
        90 . 1  48 MET N 1  48 MET CA 1  48 MET C  1  49 GLU N  -48.50  -8.50 -24.71  -14.49 -20.20    .  .  0 "[    .    1    .    2]" 
        91 . 1  48 MET C 1  49 GLU N  1  49 GLU CA 1  49 GLU C -103.30 -63.30 -70.85  -65.70 -66.86 1.53  4  0 "[    .    1    .    2]" 
        92 . 1  49 GLU N 1  49 GLU CA 1  49 GLU C  1  50 LYS N  -33.50   6.50 -32.11  -37.97 -16.36 4.47 10  0 "[    .    1    .    2]" 
        93 . 1  50 LYS C 1  51 GLN N  1  51 GLN CA 1  51 GLN C  -97.20 -56.20 -81.94 -100.14 -54.21 2.94 10  0 "[    .    1    .    2]" 
        94 . 1  51 GLN N 1  51 GLN CA 1  51 GLN C  1  52 THR N  105.50 159.00 123.54  130.01 120.76 2.07  6  0 "[    .    1    .    2]" 
        95 . 1  51 GLN C 1  52 THR N  1  52 THR CA 1  52 THR C -109.40 -42.00 -87.27 -110.16 -67.37 0.76 16  0 "[    .    1    .    2]" 
        96 . 1  52 THR N 1  52 THR CA 1  52 THR C  1  53 PRO N  112.40 152.40 145.58  128.88 154.37 1.97  6  0 "[    .    1    .    2]" 
        97 . 1  53 PRO N 1  53 PRO CA 1  53 PRO C  1  54 PRO N  157.50 167.50 156.91  158.10 157.57 5.03 15  1 "[    .    1    +    2]" 
        98 . 1  54 PRO N 1  54 PRO CA 1  54 PRO C  1  55 GLY N  -70.00 -50.00 -46.67  -54.58 -44.23 5.77  8  2 "[    .  + 1 -  .    2]" 
        99 . 1  58 ARG C 1  59 SER N  1  59 SER CA 1  59 SER C  -83.90 -43.90 -61.87  -67.85 -55.11    .  .  0 "[    .    1    .    2]" 
       100 . 1  59 SER N 1  59 SER CA 1  59 SER C  1  60 ILE N  -56.90 -16.90 -53.17  -59.66 -43.77 2.76 10  0 "[    .    1    .    2]" 
       101 . 1  59 SER C 1  60 ILE N  1  60 ILE CA 1  60 ILE C  -89.40 -49.40 -61.69  -67.80 -58.23    .  .  0 "[    .    1    .    2]" 
       102 . 1  60 ILE N 1  60 ILE CA 1  60 ILE C  1  61 GLN N  -56.30 -16.30 -49.15  -51.82 -52.92    .  .  0 "[    .    1    .    2]" 
       103 . 1  60 ILE C 1  61 GLN N  1  61 GLN CA 1  61 GLN C  -84.40 -44.40 -57.40  -59.56 -61.13    .  .  0 "[    .    1    .    2]" 
       104 . 1  61 GLN N 1  61 GLN CA 1  61 GLN C  1  62 ASP N  -62.80 -22.80 -42.98  -54.60 -31.35    .  .  0 "[    .    1    .    2]" 
       105 . 1  61 GLN C 1  62 ASP N  1  62 ASP CA 1  62 ASP C  -86.30 -46.30 -68.80  -77.87 -62.90    .  .  0 "[    .    1    .    2]" 
       106 . 1  62 ASP N 1  62 ASP CA 1  62 ASP C  1  63 MET N  -56.80 -16.80 -50.77  -58.26 -38.74 1.46 20  0 "[    .    1    .    2]" 
       107 . 1  62 ASP C 1  63 MET N  1  63 MET CA 1  63 MET C  -87.90 -47.90 -62.18  -62.03 -62.92    .  .  0 "[    .    1    .    2]" 
       108 . 1  63 MET N 1  63 MET CA 1  63 MET C  1  64 VAL N  -61.50 -21.50 -49.12  -60.17 -44.43    .  .  0 "[    .    1    .    2]" 
       109 . 1  63 MET C 1  64 VAL N  1  64 VAL CA 1  64 VAL C  -83.70 -43.70 -61.13  -66.99 -55.77    .  .  0 "[    .    1    .    2]" 
       110 . 1  64 VAL N 1  64 VAL CA 1  64 VAL C  1  65 ALA N  -62.80 -22.80 -43.38  -45.58 -47.70    .  .  0 "[    .    1    .    2]" 
       111 . 1  64 VAL C 1  65 ALA N  1  65 ALA CA 1  65 ALA C  -85.70 -45.70 -64.72  -64.22 -64.67    .  .  0 "[    .    1    .    2]" 
       112 . 1  65 ALA N 1  65 ALA CA 1  65 ALA C  1  66 GLY N  -55.90 -15.90 -31.15  -35.98 -24.61    .  .  0 "[    .    1    .    2]" 
       113 . 1  65 ALA C 1  66 GLY N  1  66 GLY CA 1  66 GLY C  -84.40 -44.40 -64.70  -61.50 -62.24    .  .  0 "[    .    1    .    2]" 
       114 . 1  66 GLY N 1  66 GLY CA 1  66 GLY C  1  67 TYR N  -60.60 -20.60 -46.56  -47.27 -48.01    .  .  0 "[    .    1    .    2]" 
       115 . 1  66 GLY C 1  67 TYR N  1  67 TYR CA 1  67 TYR C  -86.20 -46.20 -67.38  -73.21 -60.17    .  .  0 "[    .    1    .    2]" 
       116 . 1  67 TYR N 1  67 TYR CA 1  67 TYR C  1  68 ILE N  -60.20 -20.20 -31.33  -35.72 -25.97    .  .  0 "[    .    1    .    2]" 
       117 . 1  67 TYR C 1  68 ILE N  1  68 ILE CA 1  68 ILE C  -84.40 -44.40 -68.75  -69.74 -70.27    .  .  0 "[    .    1    .    2]" 
       118 . 1  68 ILE N 1  68 ILE CA 1  68 ILE C  1  69 LYS N  -63.30 -23.30 -48.79  -57.73 -38.24    .  .  0 "[    .    1    .    2]" 
       119 . 1  68 ILE C 1  69 LYS N  1  69 LYS CA 1  69 LYS C  -83.40 -43.40 -64.65  -71.84 -57.70    .  .  0 "[    .    1    .    2]" 
       120 . 1  69 LYS N 1  69 LYS CA 1  69 LYS C  1  70 GLN N  -61.10 -21.10 -39.49  -37.73 -40.28    .  .  0 "[    .    1    .    2]" 
       121 . 1  69 LYS C 1  70 GLN N  1  70 GLN CA 1  70 GLN C  -85.30 -45.30 -59.46  -64.05 -55.94    .  .  0 "[    .    1    .    2]" 
       122 . 1  70 GLN N 1  70 GLN CA 1  70 GLN C  1  71 THR N  -59.00 -19.00 -57.23  -56.12 -56.88 3.44 14  0 "[    .    1    .    2]" 
       123 . 1  70 GLN C 1  71 THR N  1  71 THR CA 1  71 THR C  -83.90 -43.90 -67.65  -73.68 -61.69    .  .  0 "[    .    1    .    2]" 
       124 . 1  71 THR N 1  71 THR CA 1  71 THR C  1  72 LEU N  -63.90 -23.90 -37.09  -36.42 -37.24    .  .  0 "[    .    1    .    2]" 
       125 . 1  71 THR C 1  72 LEU N  1  72 LEU CA 1  72 LEU C  -85.60 -45.60 -69.45  -76.16 -63.52    .  .  0 "[    .    1    .    2]" 
       126 . 1  72 LEU N 1  72 LEU CA 1  72 LEU C  1  73 ASP N  -62.70 -22.70 -38.16  -47.67 -30.33    .  .  0 "[    .    1    .    2]" 
       127 . 1  72 LEU C 1  73 ASP N  1  73 ASP CA 1  73 ASP C  -83.50 -43.50 -69.69  -68.34 -70.28    .  .  0 "[    .    1    .    2]" 
       128 . 1  73 ASP N 1  73 ASP CA 1  73 ASP C  1  74 ASN N  -61.20 -21.20 -47.63  -45.82 -46.05    .  .  0 "[    .    1    .    2]" 
       129 . 1  73 ASP C 1  74 ASN N  1  74 ASN CA 1  74 ASN C  -87.00 -47.00 -66.17  -75.19 -59.38    .  .  0 "[    .    1    .    2]" 
       130 . 1  74 ASN N 1  74 ASN CA 1  74 ASN C  1  75 GLU N  -57.20 -17.20 -37.71  -42.84 -44.79    .  .  0 "[    .    1    .    2]" 
       131 . 1  74 ASN C 1  75 GLU N  1  75 GLU CA 1  75 GLU C  -84.90 -44.90 -75.56  -79.67 -68.95    .  .  0 "[    .    1    .    2]" 
       132 . 1  75 GLU N 1  75 GLU CA 1  75 GLU C  1  76 GLN N  -59.60 -19.60 -31.79  -24.42 -28.15    .  .  0 "[    .    1    .    2]" 
       133 . 1  75 GLU C 1  76 GLN N  1  76 GLN CA 1  76 GLN C  -84.20 -44.20 -62.53  -69.17 -52.22    .  .  0 "[    .    1    .    2]" 
       134 . 1  76 GLN N 1  76 GLN CA 1  76 GLN C  1  77 LEU N  -60.80 -20.80 -45.23  -49.25 -50.48    .  .  0 "[    .    1    .    2]" 
       135 . 1  76 GLN C 1  77 LEU N  1  77 LEU CA 1  77 LEU C  -85.80 -45.80 -67.80  -72.48 -60.46    .  .  0 "[    .    1    .    2]" 
       136 . 1  77 LEU N 1  77 LEU CA 1  77 LEU C  1  78 LEU N  -61.20 -21.20 -37.64  -36.61 -37.96    .  .  0 "[    .    1    .    2]" 
       137 . 1  77 LEU C 1  78 LEU N  1  78 LEU CA 1  78 LEU C  -83.90 -43.90 -59.77  -68.78 -56.10    .  .  0 "[    .    1    .    2]" 
       138 . 1  78 LEU N 1  78 LEU CA 1  78 LEU C  1  79 LYS N  -62.50 -22.50 -54.75  -65.53 -39.62 3.03 16  0 "[    .    1    .    2]" 
       139 . 1  78 LEU C 1  79 LYS N  1  79 LYS CA 1  79 LYS C  -83.30 -43.30 -64.54  -62.03 -62.43    .  .  0 "[    .    1    .    2]" 
       140 . 1  79 LYS N 1  79 LYS CA 1  79 LYS C  1  80 GLY N  -62.10 -22.10 -39.13  -50.27 -51.37 0.02  6  0 "[    .    1    .    2]" 
       141 . 1  79 LYS C 1  80 GLY N  1  80 GLY CA 1  80 GLY C  -84.30 -44.30 -66.44  -62.47 -63.73    .  .  0 "[    .    1    .    2]" 
       142 . 1  80 GLY N 1  80 GLY CA 1  80 GLY C  1  81 LEU N  -61.50 -21.50 -49.96  -62.77 -39.66 1.27 19  0 "[    .    1    .    2]" 
       143 . 1  80 GLY C 1  81 LEU N  1  81 LEU CA 1  81 LEU C  -86.10 -46.10 -61.05  -68.38 -53.69    .  .  0 "[    .    1    .    2]" 
       144 . 1  81 LEU N 1  81 LEU CA 1  81 LEU C  1  82 LEU N  -63.00 -23.00 -49.74  -61.57 -38.90    .  .  0 "[    .    1    .    2]" 
       145 . 1  81 LEU C 1  82 LEU N  1  82 LEU CA 1  82 LEU C  -84.50 -44.50 -70.98  -67.79 -71.20    .  .  0 "[    .    1    .    2]" 
       146 . 1  82 LEU N 1  82 LEU CA 1  82 LEU C  1  83 GLN N  -63.10 -23.10 -31.76  -44.58 -23.17    .  .  0 "[    .    1    .    2]" 
       147 . 1  82 LEU C 1  83 GLN N  1  83 GLN CA 1  83 GLN C  -83.40 -43.40 -65.26  -69.62 -61.15    .  .  0 "[    .    1    .    2]" 
       148 . 1  83 GLN N 1  83 GLN CA 1  83 GLN C  1  84 GLN N  -58.70 -18.70 -48.61  -47.46 -48.30    .  .  0 "[    .    1    .    2]" 
       149 . 1  83 GLN C 1  84 GLN N  1  84 GLN CA 1  84 GLN C  -85.40 -45.40 -62.90  -68.98 -73.00    .  .  0 "[    .    1    .    2]" 
       150 . 1  84 GLN N 1  84 GLN CA 1  84 GLN C  1  85 ARG N  -60.20 -20.20 -36.66  -45.44 -24.48    .  .  0 "[    .    1    .    2]" 
       151 . 1  84 GLN C 1  85 ARG N  1  85 ARG CA 1  85 ARG C  -86.60 -46.60 -70.99  -76.81 -64.37    .  .  0 "[    .    1    .    2]" 
       152 . 1  85 ARG N 1  85 ARG CA 1  85 ARG C  1  86 LEU N  -59.60 -19.60 -47.18  -44.96 -47.08    .  .  0 "[    .    1    .    2]" 
       153 . 1  85 ARG C 1  86 LEU N  1  86 LEU CA 1  86 LEU C  -85.50 -45.50 -67.66  -75.84 -60.79    .  .  0 "[    .    1    .    2]" 
       154 . 1  86 LEU N 1  86 LEU CA 1  86 LEU C  1  87 ASP N  -61.50 -21.50 -30.61  -41.26 -21.81    .  .  0 "[    .    1    .    2]" 
       155 . 1  86 LEU C 1  87 ASP N  1  87 ASP CA 1  87 ASP C  -86.50 -46.50 -63.91  -76.60 -56.25    .  .  0 "[    .    1    .    2]" 
       156 . 1  87 ASP N 1  87 ASP CA 1  87 ASP C  1  88 GLU N  -58.90 -18.90 -48.54  -48.19 -50.12    .  .  0 "[    .    1    .    2]" 
       157 . 1  87 ASP C 1  88 GLU N  1  88 GLU CA 1  88 GLU C  -86.40 -46.40 -60.22  -64.33 -54.81    .  .  0 "[    .    1    .    2]" 
       158 . 1  88 GLU N 1  88 GLU CA 1  88 GLU C  1  89 LEU N  -60.00 -20.00 -53.80  -60.75 -41.19 0.75 19  0 "[    .    1    .    2]" 
       159 . 1  88 GLU C 1  89 LEU N  1  89 LEU CA 1  89 LEU C  -85.60 -45.60 -55.53  -57.42 -58.56    .  .  0 "[    .    1    .    2]" 
       160 . 1  89 LEU N 1  89 LEU CA 1  89 LEU C  1  90 SER N  -59.10 -19.10 -43.79  -43.42 -43.89    .  .  0 "[    .    1    .    2]" 
       161 . 1  89 LEU C 1  90 SER N  1  90 SER CA 1  90 SER C  -85.40 -45.40 -66.29  -68.60 -69.15    .  .  0 "[    .    1    .    2]" 
       162 . 1  90 SER N 1  90 SER CA 1  90 SER C  1  91 SER N  -56.70 -16.70 -35.41  -30.30 -30.80    .  .  0 "[    .    1    .    2]" 
       163 . 1  90 SER C 1  91 SER N  1  91 SER CA 1  91 SER C  -88.80 -48.80 -69.56  -80.27 -59.68    .  .  0 "[    .    1    .    2]" 
       164 . 1  91 SER N 1  91 SER CA 1  91 SER C  1  92 LEU N  -54.90 -14.90 -30.94  -27.52 -31.20    .  .  0 "[    .    1    .    2]" 
       165 . 1  91 SER C 1  92 LEU N  1  92 LEU CA 1  92 LEU C  -90.80 -50.80 -74.98  -82.17 -68.41    .  .  0 "[    .    1    .    2]" 
       166 . 1  92 LEU N 1  92 LEU CA 1  92 LEU C  1  93 ILE N  -52.90 -12.90 -43.12  -53.04 -33.22 0.14  3  0 "[    .    1    .    2]" 
       167 . 1  92 LEU C 1  93 ILE N  1  93 ILE CA 1  93 ILE C  -88.30 -48.30 -75.20  -89.40 -62.73 1.10  4  0 "[    .    1    .    2]" 
       168 . 1  93 ILE N 1  93 ILE CA 1  93 ILE C  1  94 GLY N  -54.80 -14.80 -42.00  -57.63 -15.64 2.83  4  0 "[    .    1    .    2]" 
       169 . 1 112 GLY C 1 113 ILE N  1 113 ILE CA 1 113 ILE C  -85.50 -45.50 -64.82  -71.98 -57.09    .  .  0 "[    .    1    .    2]" 
       170 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C  1 114 GLU N  -59.20 -19.20 -33.05  -58.00 -14.56 4.64  4  0 "[    .    1    .    2]" 
       171 . 1 113 ILE C 1 114 GLU N  1 114 GLU CA 1 114 GLU C  -86.00 -46.00 -60.15  -73.02 -49.69    .  .  0 "[    .    1    .    2]" 
       172 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C  1 115 GLY N  -60.80 -20.80 -44.61  -46.09 -48.97 0.08  7  0 "[    .    1    .    2]" 
       173 . 1 114 GLU C 1 115 GLY N  1 115 GLY CA 1 115 GLY C  -85.60 -45.60 -62.02  -72.46 -53.21    .  .  0 "[    .    1    .    2]" 
       174 . 1 115 GLY N 1 115 GLY CA 1 115 GLY C  1 116 MET N  -60.70 -20.70 -47.85  -60.16 -31.10    .  .  0 "[    .    1    .    2]" 
       175 . 1 116 MET C 1 117 THR N  1 117 THR CA 1 117 THR C  -83.70 -43.70 -68.05  -71.53 -65.51    .  .  0 "[    .    1    .    2]" 
       176 . 1 117 THR N 1 117 THR CA 1 117 THR C  1 118 THR N  -58.10 -18.10 -48.60  -48.46 -51.50    .  .  0 "[    .    1    .    2]" 
       177 . 1 117 THR C 1 118 THR N  1 118 THR CA 1 118 THR C  -84.40 -44.40 -61.13  -70.11 -53.25    .  .  0 "[    .    1    .    2]" 
       178 . 1 118 THR N 1 118 THR CA 1 118 THR C  1 119 ARG N  -64.10 -24.10 -44.31  -38.77 -40.23    .  .  0 "[    .    1    .    2]" 
       179 . 1 118 THR C 1 119 ARG N  1 119 ARG CA 1 119 ARG C  -85.50 -45.50 -61.54  -71.76 -52.71    .  .  0 "[    .    1    .    2]" 
       180 . 1 119 ARG N 1 119 ARG CA 1 119 ARG C  1 120 LEU N  -63.30 -23.30 -52.47  -44.07 -46.84 0.20 20  0 "[    .    1    .    2]" 
       181 . 1 119 ARG C 1 120 LEU N  1 120 LEU CA 1 120 LEU C  -85.10 -45.10 -69.09  -77.16 -61.40    .  .  0 "[    .    1    .    2]" 
       182 . 1 120 LEU N 1 120 LEU CA 1 120 LEU C  1 121 THR N  -61.90 -21.90 -29.84  -41.79 -22.05    .  .  0 "[    .    1    .    2]" 
       183 . 1 120 LEU C 1 121 THR N  1 121 THR CA 1 121 THR C  -83.30 -43.30 -73.40  -74.91 -76.16    .  .  0 "[    .    1    .    2]" 
       184 . 1 121 THR N 1 121 THR CA 1 121 THR C  1 122 ARG N  -61.90 -21.90 -44.03  -43.23 -44.21    .  .  0 "[    .    1    .    2]" 
       185 . 1 121 THR C 1 122 ARG N  1 122 ARG CA 1 122 ARG C  -83.60 -43.60 -63.26  -67.54 -57.36    .  .  0 "[    .    1    .    2]" 
       186 . 1 122 ARG N 1 122 ARG CA 1 122 ARG C  1 123 TRP N  -62.90 -22.90 -33.78  -31.73 -33.77    .  .  0 "[    .    1    .    2]" 
       187 . 1 122 ARG C 1 123 TRP N  1 123 TRP CA 1 123 TRP C  -83.50 -43.50 -65.83  -71.98 -61.16    .  .  0 "[    .    1    .    2]" 
       188 . 1 123 TRP N 1 123 TRP CA 1 123 TRP C  1 124 LEU N  -65.50 -25.50 -47.26  -42.60 -44.61    .  .  0 "[    .    1    .    2]" 
       189 . 1 123 TRP C 1 124 LEU N  1 124 LEU CA 1 124 LEU C  -82.50 -42.50 -67.38  -73.46 -60.69    .  .  0 "[    .    1    .    2]" 
       190 . 1 124 LEU N 1 124 LEU CA 1 124 LEU C  1 125 THR N  -61.70 -21.70 -35.08  -31.46 -32.79    .  .  0 "[    .    1    .    2]" 
       191 . 1 124 LEU C 1 125 THR N  1 125 THR CA 1 125 THR C  -85.00 -45.00 -69.53  -65.58 -72.04    .  .  0 "[    .    1    .    2]" 
       192 . 1 125 THR N 1 125 THR CA 1 125 THR C  1 126 ALA N  -62.50 -22.50 -35.99  -51.23 -23.12    .  .  0 "[    .    1    .    2]" 
       193 . 1 125 THR C 1 126 ALA N  1 126 ALA CA 1 126 ALA C  -85.40 -45.40 -72.68  -75.21 -76.51    .  .  0 "[    .    1    .    2]" 
       194 . 1 126 ALA N 1 126 ALA CA 1 126 ALA C  1 127 LEU N  -61.70 -21.70 -29.98  -35.98 -24.74    .  .  0 "[    .    1    .    2]" 
       195 . 1 126 ALA C 1 127 LEU N  1 127 LEU CA 1 127 LEU C  -85.00 -45.00 -70.20  -69.16 -69.66    .  .  0 "[    .    1    .    2]" 
       196 . 1 127 LEU N 1 127 LEU CA 1 127 LEU C  1 128 ASP N  -59.70 -19.70 -45.87  -44.13 -45.25    .  .  0 "[    .    1    .    2]" 
       197 . 1 127 LEU C 1 128 ASP N  1 128 ASP CA 1 128 ASP C  -85.80 -45.80 -64.89  -59.62 -60.19    .  .  0 "[    .    1    .    2]" 
       198 . 1 128 ASP N 1 128 ASP CA 1 128 ASP C  1 129 ASN N  -62.50 -22.50 -37.07  -43.89 -22.32 0.18 20  0 "[    .    1    .    2]" 
       199 . 1 128 ASP C 1 129 ASN N  1 129 ASN CA 1 129 ASN C  -87.80 -47.80 -64.74  -72.24 -57.66    .  .  0 "[    .    1    .    2]" 
       200 . 1 129 ASN N 1 129 ASN CA 1 129 ASN C  1 130 PHE N  -55.70 -15.70 -46.52  -47.99 -48.57    .  .  0 "[    .    1    .    2]" 
       201 . 1 129 ASN C 1 130 PHE N  1 130 PHE CA 1 130 PHE C  -84.40 -44.40 -59.16  -62.33 -54.52    .  .  0 "[    .    1    .    2]" 
       202 . 1 130 PHE N 1 130 PHE CA 1 130 PHE C  1 131 GLU N  -63.20 -23.20 -59.68  -63.22 -56.07 0.02  6  0 "[    .    1    .    2]" 
       203 . 1 130 PHE C 1 131 GLU N  1 131 GLU CA 1 131 GLU C  -83.40 -43.40 -46.95  -54.78 -41.75 1.65  1  0 "[    .    1    .    2]" 
       204 . 1 131 GLU N 1 131 GLU CA 1 131 GLU C  1 132 ALA N  -60.30 -20.30 -51.03  -53.68 -54.88    .  .  0 "[    .    1    .    2]" 
       205 . 1 131 GLU C 1 132 ALA N  1 132 ALA CA 1 132 ALA C  -84.90 -44.90 -62.33  -63.97 -64.37    .  .  0 "[    .    1    .    2]" 
       206 . 1 132 ALA N 1 132 ALA CA 1 132 ALA C  1 133 LYS N  -60.40 -20.40 -59.24  -63.40 -52.63 3.00 13  0 "[    .    1    .    2]" 
       207 . 1 132 ALA C 1 133 LYS N  1 133 LYS CA 1 133 LYS C  -86.60 -46.60 -64.77  -59.33 -60.47    .  .  0 "[    .    1    .    2]" 
       208 . 1 133 LYS N 1 133 LYS CA 1 133 LYS C  1 134 MET N  -59.10 -19.10 -33.94  -40.85 -25.06    .  .  0 "[    .    1    .    2]" 
       209 . 1 133 LYS C 1 134 MET N  1 134 MET CA 1 134 MET C  -88.60 -48.60 -81.05  -79.80 -80.71    .  .  0 "[    .    1    .    2]" 
       210 . 1 134 MET N 1 134 MET CA 1 134 MET C  1 135 ALA N  -50.50 -10.50 -25.86  -25.57 -26.28    .  .  0 "[    .    1    .    2]" 
       211 . 1 134 MET C 1 135 ALA N  1 135 ALA CA 1 135 ALA C  -89.20 -49.20 -71.92  -70.22 -70.27    .  .  0 "[    .    1    .    2]" 
       212 . 1 135 ALA N 1 135 ALA CA 1 135 ALA C  1 136 LEU N  -42.30  -2.30 -28.81  -37.13 -15.38    .  .  0 "[    .    1    .    2]" 
       213 . 1 135 ALA C 1 136 LEU N  1 136 LEU CA 1 136 LEU C -106.60 -66.60 -78.51  -83.07 -86.65    .  .  0 "[    .    1    .    2]" 
       214 . 1 136 LEU N 1 136 LEU CA 1 136 LEU C  1 137 LEU N  -30.00  10.00 -19.94  -31.12 -11.68 1.12 10  0 "[    .    1    .    2]" 
       215 . 1 116 MET N 1 116 MET CA 1 116 MET C  1 117 THR N  -64.70 -24.70 -51.04  -50.75 -51.05 1.16 10  0 "[    .    1    .    2]" 
       216 . 1 115 GLY C 1 116 MET N  1 116 MET CA 1 116 MET C  -86.40 -46.40 -57.49  -56.86 -58.49    .  .  0 "[    .    1    .    2]" 
    stop_

save_


save_dihedral_constraint_statistics_2
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              216
    _TA_constraint_stats_list.Viol_count                    190
    _TA_constraint_stats_list.Viol_total                    8586.27
    _TA_constraint_stats_list.Viol_max                      8.56
    _TA_constraint_stats_list.Viol_rms                      0.64
    _TA_constraint_stats_list.Viol_average_all_restraints   0.10
    _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   3 SER C 1   4 THR N  1   4 THR CA 1   4 THR C  -83.90 -43.90 -61.37  -71.82 -55.32    .  .  0 "[    .    1    .    2]" 
         2 . 1   4 THR N 1   4 THR CA 1   4 THR C  1   5 VAL N  -57.20 -17.20 -54.36  -58.92 -44.37 1.72 14  0 "[    .    1    .    2]" 
         3 . 1   4 THR C 1   5 VAL N  1   5 VAL CA 1   5 VAL C  -87.00 -47.00 -62.44  -68.41 -57.57    .  .  0 "[    .    1    .    2]" 
         4 . 1   5 VAL N 1   5 VAL CA 1   5 VAL C  1   6 GLU N  -60.90 -20.90 -45.24  -33.78 -37.96    .  .  0 "[    .    1    .    2]" 
         5 . 1   5 VAL C 1   6 GLU N  1   6 GLU CA 1   6 GLU C  -86.10 -46.10 -58.03  -56.88 -57.33    .  .  0 "[    .    1    .    2]" 
         6 . 1   6 GLU N 1   6 GLU CA 1   6 GLU C  1   7 PHE N  -59.90 -19.90 -51.64  -60.53 -39.95 0.63  2  0 "[    .    1    .    2]" 
         7 . 1   6 GLU C 1   7 PHE N  1   7 PHE CA 1   7 PHE C  -84.10 -44.10 -60.09  -58.62 -59.16    .  .  0 "[    .    1    .    2]" 
         8 . 1   7 PHE N 1   7 PHE CA 1   7 PHE C  1   8 ILE N  -64.90 -24.90 -54.32  -52.90 -54.01    .  .  0 "[    .    1    .    2]" 
         9 . 1   7 PHE C 1   8 ILE N  1   8 ILE CA 1   8 ILE C  -85.10 -45.10 -64.77  -67.44 -68.29    .  .  0 "[    .    1    .    2]" 
        10 . 1   8 ILE N 1   8 ILE CA 1   8 ILE C  1   9 ASN N  -61.20 -21.20 -43.69  -52.79 -33.28    .  .  0 "[    .    1    .    2]" 
        11 . 1   8 ILE C 1   9 ASN N  1   9 ASN CA 1   9 ASN C  -85.10 -45.10 -70.48  -80.99 -64.77    .  .  0 "[    .    1    .    2]" 
        12 . 1   9 ASN N 1   9 ASN CA 1   9 ASN C  1  10 ARG N  -59.40 -19.40 -34.20  -30.49 -32.52    .  .  0 "[    .    1    .    2]" 
        13 . 1   9 ASN C 1  10 ARG N  1  10 ARG CA 1  10 ARG C  -86.30 -46.30 -70.03  -85.97 -61.37    .  .  0 "[    .    1    .    2]" 
        14 . 1  10 ARG N 1  10 ARG CA 1  10 ARG C  1  11 TRP N  -59.70 -19.70 -47.09  -54.35 -23.36    .  .  0 "[    .    1    .    2]" 
        15 . 1  10 ARG C 1  11 TRP N  1  11 TRP CA 1  11 TRP C  -85.60 -45.60 -59.95  -56.86 -57.85    .  .  0 "[    .    1    .    2]" 
        16 . 1  11 TRP N 1  11 TRP CA 1  11 TRP C  1  12 GLN N  -60.00 -20.00 -37.60  -37.80 -38.21    .  .  0 "[    .    1    .    2]" 
        17 . 1  11 TRP C 1  12 GLN N  1  12 GLN CA 1  12 GLN C  -84.20 -44.20 -62.13  -61.54 -62.21    .  .  0 "[    .    1    .    2]" 
        18 . 1  12 GLN N 1  12 GLN CA 1  12 GLN C  1  13 ARG N  -61.50 -21.50 -47.09  -57.73 -40.20    .  .  0 "[    .    1    .    2]" 
        19 . 1  12 GLN C 1  13 ARG N  1  13 ARG CA 1  13 ARG C  -85.30 -45.30 -61.50  -62.75 -65.50    .  .  0 "[    .    1    .    2]" 
        20 . 1  13 ARG N 1  13 ARG CA 1  13 ARG C  1  14 ILE N  -59.90 -19.90 -42.01  -36.47 -40.38    .  .  0 "[    .    1    .    2]" 
        21 . 1  13 ARG C 1  14 ILE N  1  14 ILE CA 1  14 ILE C  -87.70 -47.70 -66.65  -70.63 -62.68    .  .  0 "[    .    1    .    2]" 
        22 . 1  14 ILE N 1  14 ILE CA 1  14 ILE C  1  15 ALA N  -58.90 -18.90 -38.92  -39.24 -39.43    .  .  0 "[    .    1    .    2]" 
        23 . 1  14 ILE C 1  15 ALA N  1  15 ALA CA 1  15 ALA C  -84.70 -44.70 -65.43  -70.47 -61.57    .  .  0 "[    .    1    .    2]" 
        24 . 1  15 ALA N 1  15 ALA CA 1  15 ALA C  1  16 LEU N  -62.80 -22.80 -45.72  -43.13 -43.76    .  .  0 "[    .    1    .    2]" 
        25 . 1  15 ALA C 1  16 LEU N  1  16 LEU CA 1  16 LEU C  -85.60 -45.60 -66.28  -71.09 -71.36    .  .  0 "[    .    1    .    2]" 
        26 . 1  16 LEU N 1  16 LEU CA 1  16 LEU C  1  17 LEU N  -60.50 -20.50 -42.15  -49.92 -32.84    .  .  0 "[    .    1    .    2]" 
        27 . 1  16 LEU C 1  17 LEU N  1  17 LEU CA 1  17 LEU C  -84.70 -44.70 -64.03  -64.27 -65.23    .  .  0 "[    .    1    .    2]" 
        28 . 1  17 LEU N 1  17 LEU CA 1  17 LEU C  1  18 SER N  -63.90 -23.90 -50.01  -49.48 -50.23    .  .  0 "[    .    1    .    2]" 
        29 . 1  17 LEU C 1  18 SER N  1  18 SER CA 1  18 SER C  -84.00 -44.00 -62.82  -69.58 -55.46    .  .  0 "[    .    1    .    2]" 
        30 . 1  18 SER N 1  18 SER CA 1  18 SER C  1  19 GLN N  -60.50 -20.50 -39.48  -45.85 -34.90    .  .  0 "[    .    1    .    2]" 
        31 . 1  18 SER C 1  19 GLN N  1  19 GLN CA 1  19 GLN C  -86.90 -46.90 -66.88  -76.48 -56.59    .  .  0 "[    .    1    .    2]" 
        32 . 1  19 GLN N 1  19 GLN CA 1  19 GLN C  1  20 SER N  -61.40 -21.40 -44.59  -41.43 -47.79 1.69 17  0 "[    .    1    .    2]" 
        33 . 1  19 GLN C 1  20 SER N  1  20 SER CA 1  20 SER C  -85.60 -45.60 -61.22  -69.82 -52.83    .  .  0 "[    .    1    .    2]" 
        34 . 1  20 SER N 1  20 SER CA 1  20 SER C  1  21 LEU N  -59.60 -19.60 -51.40  -60.30 -40.90 0.70 11  0 "[    .    1    .    2]" 
        35 . 1  20 SER C 1  21 LEU N  1  21 LEU CA 1  21 LEU C  -85.50 -45.50 -60.49  -56.31 -57.89    .  .  0 "[    .    1    .    2]" 
        36 . 1  21 LEU N 1  21 LEU CA 1  21 LEU C  1  22 LEU N  -60.20 -20.20 -33.97  -38.66 -28.76    .  .  0 "[    .    1    .    2]" 
        37 . 1  21 LEU C 1  22 LEU N  1  22 LEU CA 1  22 LEU C  -85.80 -45.80 -64.66  -64.19 -64.26    .  .  0 "[    .    1    .    2]" 
        38 . 1  22 LEU N 1  22 LEU CA 1  22 LEU C  1  23 GLU N  -60.80 -20.80 -49.96  -56.12 -39.62    .  .  0 "[    .    1    .    2]" 
        39 . 1  22 LEU C 1  23 GLU N  1  23 GLU CA 1  23 GLU C  -85.20 -45.20 -58.69  -65.77 -52.49    .  .  0 "[    .    1    .    2]" 
        40 . 1  23 GLU N 1  23 GLU CA 1  23 GLU C  1  24 LEU N  -61.00 -21.00 -41.21  -45.89 -47.77    .  .  0 "[    .    1    .    2]" 
        41 . 1  23 GLU C 1  24 LEU N  1  24 LEU CA 1  24 LEU C  -84.80 -44.80 -65.08  -77.07 -54.20    .  .  0 "[    .    1    .    2]" 
        42 . 1  24 LEU N 1  24 LEU CA 1  24 LEU C  1  25 ALA N  -60.60 -20.60 -40.64  -35.91 -41.10    .  .  0 "[    .    1    .    2]" 
        43 . 1  24 LEU C 1  25 ALA N  1  25 ALA CA 1  25 ALA C  -84.80 -44.80 -67.37  -65.41 -65.93    .  .  0 "[    .    1    .    2]" 
        44 . 1  25 ALA N 1  25 ALA CA 1  25 ALA C  1  26 GLN N  -58.20 -18.20 -37.42  -46.66 -31.00    .  .  0 "[    .    1    .    2]" 
        45 . 1  25 ALA C 1  26 GLN N  1  26 GLN CA 1  26 GLN C  -87.40 -47.40 -68.37  -70.79 -71.56    .  .  0 "[    .    1    .    2]" 
        46 . 1  26 GLN N 1  26 GLN CA 1  26 GLN C  1  27 ARG N  -47.30  -7.30 -33.31  -39.66 -22.38    .  .  0 "[    .    1    .    2]" 
        47 . 1  26 GLN C 1  27 ARG N  1  27 ARG CA 1  27 ARG C -107.50 -67.50 -85.08  -81.92 -84.54    .  .  0 "[    .    1    .    2]" 
        48 . 1  27 ARG N 1  27 ARG CA 1  27 ARG C  1  28 GLY N  -24.80  15.20 -17.83  -27.44   8.66 2.64  3  0 "[    .    1    .    2]" 
        49 . 1  27 ARG C 1  28 GLY N  1  28 GLY CA 1  28 GLY C   58.60  98.60  89.23   93.20  91.32 2.37 10  0 "[    .    1    .    2]" 
        50 . 1  28 GLY N 1  28 GLY CA 1  28 GLY C  1  29 GLU N   -2.80  37.20  17.55   12.76  11.67    .  .  0 "[    .    1    .    2]" 
        51 . 1  28 GLY C 1  29 GLU N  1  29 GLU CA 1  29 GLU C -108.20 -68.20 -79.36  -78.37 -79.39    .  .  0 "[    .    1    .    2]" 
        52 . 1  29 GLU N 1  29 GLU CA 1  29 GLU C  1  30 TRP N   50.30  90.30  76.37   63.68  95.22 4.92 12  0 "[    .    1    .    2]" 
        53 . 1  29 GLU C 1  30 TRP N  1  30 TRP CA 1  30 TRP C  -88.60 -48.60 -72.07  -73.91 -75.96 1.79 12  0 "[    .    1    .    2]" 
        54 . 1  30 TRP N 1  30 TRP CA 1  30 TRP C  1  31 ASP N  -53.40 -13.40 -29.38  -37.26 -13.53    .  .  0 "[    .    1    .    2]" 
        55 . 1  30 TRP C 1  31 ASP N  1  31 ASP CA 1  31 ASP C  -81.80 -41.80 -62.00  -71.18 -52.84    .  .  0 "[    .    1    .    2]" 
        56 . 1  31 ASP N 1  31 ASP CA 1  31 ASP C  1  32 LEU N  -63.40 -23.40 -46.35  -49.90 -50.75    .  .  0 "[    .    1    .    2]" 
        57 . 1  31 ASP C 1  32 LEU N  1  32 LEU CA 1  32 LEU C  -88.80 -48.80 -70.58  -64.36 -66.01    .  .  0 "[    .    1    .    2]" 
        58 . 1  32 LEU N 1  32 LEU CA 1  32 LEU C  1  33 LEU N  -58.90 -18.90 -26.64  -37.47 -16.43 2.47 15  0 "[    .    1    .    2]" 
        59 . 1  32 LEU C 1  33 LEU N  1  33 LEU CA 1  33 LEU C  -83.90 -43.90 -65.50  -66.15 -66.52    .  .  0 "[    .    1    .    2]" 
        60 . 1  33 LEU N 1  33 LEU CA 1  33 LEU C  1  34 LEU N  -64.30 -24.30 -46.30  -38.80 -41.94    .  .  0 "[    .    1    .    2]" 
        61 . 1  33 LEU C 1  34 LEU N  1  34 LEU CA 1  34 LEU C  -87.40 -47.40 -68.90  -74.38 -63.30    .  .  0 "[    .    1    .    2]" 
        62 . 1  34 LEU N 1  34 LEU CA 1  34 LEU C  1  35 GLN N  -55.50 -15.50 -29.68  -38.17 -21.52    .  .  0 "[    .    1    .    2]" 
        63 . 1  34 LEU C 1  35 GLN N  1  35 GLN CA 1  35 GLN C  -87.50 -47.50 -73.13  -71.93 -72.82    .  .  0 "[    .    1    .    2]" 
        64 . 1  35 GLN N 1  35 GLN CA 1  35 GLN C  1  36 GLN N  -56.90 -16.90 -53.64  -52.84 -55.44 2.16 13  0 "[    .    1    .    2]" 
        65 . 1  35 GLN C 1  36 GLN N  1  36 GLN CA 1  36 GLN C  -88.20 -48.20 -80.91  -89.76 -73.44 1.56  8  0 "[    .    1    .    2]" 
        66 . 1  36 GLN N 1  36 GLN CA 1  36 GLN C  1  37 GLU N  -56.80 -16.80  -9.79  -12.67  -8.24 8.56 11 19  [*********1+*-*******]  
        67 . 1  36 GLN C 1  37 GLU N  1  37 GLU CA 1  37 GLU C  -85.80 -45.80 -44.86  -47.94 -42.14 3.66 20  0 "[    .    1    .    2]" 
        68 . 1  37 GLU N 1  37 GLU CA 1  37 GLU C  1  38 VAL N  -62.90 -22.90 -56.87  -65.74 -46.27 2.84 11  0 "[    .    1    .    2]" 
        69 . 1  37 GLU C 1  38 VAL N  1  38 VAL CA 1  38 VAL C  -83.70 -43.70 -59.06  -58.10 -59.40    .  .  0 "[    .    1    .    2]" 
        70 . 1  38 VAL N 1  38 VAL CA 1  38 VAL C  1  39 SER N  -62.70 -22.70 -40.30  -61.55 -26.18    .  .  0 "[    .    1    .    2]" 
        71 . 1  38 VAL C 1  39 SER N  1  39 SER CA 1  39 SER C  -85.50 -45.50 -66.91  -61.80 -63.77    .  .  0 "[    .    1    .    2]" 
        72 . 1  39 SER N 1  39 SER CA 1  39 SER C  1  40 TYR N  -57.30 -17.30 -42.24  -46.14 -46.58    .  .  0 "[    .    1    .    2]" 
        73 . 1  39 SER C 1  40 TYR N  1  40 TYR CA 1  40 TYR C  -84.60 -44.60 -69.56  -68.09 -68.82    .  .  0 "[    .    1    .    2]" 
        74 . 1  40 TYR N 1  40 TYR CA 1  40 TYR C  1  41 LEU N  -65.70 -25.70 -47.21  -47.41 -48.35    .  .  0 "[    .    1    .    2]" 
        75 . 1  40 TYR C 1  41 LEU N  1  41 LEU CA 1  41 LEU C  -86.60 -46.60 -68.92  -73.04 -64.99    .  .  0 "[    .    1    .    2]" 
        76 . 1  41 LEU N 1  41 LEU CA 1  41 LEU C  1  42 GLN N  -57.70 -17.70 -32.73  -40.10 -26.63    .  .  0 "[    .    1    .    2]" 
        77 . 1  41 LEU C 1  42 GLN N  1  42 GLN CA 1  42 GLN C  -87.00 -47.00 -66.74  -76.63 -58.91    .  .  0 "[    .    1    .    2]" 
        78 . 1  42 GLN N 1  42 GLN CA 1  42 GLN C  1  43 SER N  -58.20 -18.20 -44.27  -40.83 -43.98    .  .  0 "[    .    1    .    2]" 
        79 . 1  42 GLN C 1  43 SER N  1  43 SER CA 1  43 SER C  -87.30 -47.30 -64.30  -67.87 -59.23    .  .  0 "[    .    1    .    2]" 
        80 . 1  43 SER N 1  43 SER CA 1  43 SER C  1  44 ILE N  -60.30 -20.30 -39.16  -40.29 -41.32    .  .  0 "[    .    1    .    2]" 
        81 . 1  43 SER C 1  44 ILE N  1  44 ILE CA 1  44 ILE C  -86.40 -46.40 -58.00  -61.65 -54.56    .  .  0 "[    .    1    .    2]" 
        82 . 1  44 ILE N 1  44 ILE CA 1  44 ILE C  1  45 GLU N  -58.80 -18.80 -52.70  -51.97 -52.79    .  .  0 "[    .    1    .    2]" 
        83 . 1  44 ILE C 1  45 GLU N  1  45 GLU CA 1  45 GLU C  -86.20 -46.20 -62.62  -60.19 -62.31    .  .  0 "[    .    1    .    2]" 
        84 . 1  45 GLU N 1  45 GLU CA 1  45 GLU C  1  46 THR N  -58.90 -18.90 -44.32  -56.38 -29.94    .  .  0 "[    .    1    .    2]" 
        85 . 1  45 GLU C 1  46 THR N  1  46 THR CA 1  46 THR C  -87.10 -47.10 -72.84  -72.28 -72.43    .  .  0 "[    .    1    .    2]" 
        86 . 1  46 THR N 1  46 THR CA 1  46 THR C  1  47 VAL N  -57.90 -17.90 -31.64  -27.28 -29.33    .  .  0 "[    .    1    .    2]" 
        87 . 1  46 THR C 1  47 VAL N  1  47 VAL CA 1  47 VAL C  -87.80 -47.80 -75.94  -79.99 -69.61    .  .  0 "[    .    1    .    2]" 
        88 . 1  47 VAL N 1  47 VAL CA 1  47 VAL C  1  48 MET N  -56.60 -16.60 -35.15  -41.14 -29.43    .  .  0 "[    .    1    .    2]" 
        89 . 1  47 VAL C 1  48 MET N  1  48 MET CA 1  48 MET C  -89.10 -49.10 -75.43  -80.10 -68.13    .  .  0 "[    .    1    .    2]" 
        90 . 1  48 MET N 1  48 MET CA 1  48 MET C  1  49 GLU N  -48.50  -8.50 -24.71  -14.49 -20.20    .  .  0 "[    .    1    .    2]" 
        91 . 1  48 MET C 1  49 GLU N  1  49 GLU CA 1  49 GLU C -103.30 -63.30 -70.85  -65.70 -66.86 1.53  4  0 "[    .    1    .    2]" 
        92 . 1  49 GLU N 1  49 GLU CA 1  49 GLU C  1  50 LYS N  -33.50   6.50 -32.11  -37.97 -16.36 4.47 10  0 "[    .    1    .    2]" 
        93 . 1  50 LYS C 1  51 GLN N  1  51 GLN CA 1  51 GLN C  -97.20 -56.20 -81.94 -100.14 -54.21 2.94 10  0 "[    .    1    .    2]" 
        94 . 1  51 GLN N 1  51 GLN CA 1  51 GLN C  1  52 THR N  105.50 159.00 123.54  130.01 120.76 2.07  6  0 "[    .    1    .    2]" 
        95 . 1  51 GLN C 1  52 THR N  1  52 THR CA 1  52 THR C -109.40 -42.00 -87.27 -110.16 -67.37 0.76 16  0 "[    .    1    .    2]" 
        96 . 1  52 THR N 1  52 THR CA 1  52 THR C  1  53 PRO N  112.40 152.40 145.58  128.88 154.37 1.97  6  0 "[    .    1    .    2]" 
        97 . 1  53 PRO N 1  53 PRO CA 1  53 PRO C  1  54 PRO N  157.50 167.50 156.91  158.10 157.57 5.03 15  1 "[    .    1    +    2]" 
        98 . 1  54 PRO N 1  54 PRO CA 1  54 PRO C  1  55 GLY N  -70.00 -50.00 -46.67  -54.58 -44.23 5.77  8  2 "[    .  + 1 -  .    2]" 
        99 . 1  58 ARG C 1  59 SER N  1  59 SER CA 1  59 SER C  -83.90 -43.90 -61.87  -67.85 -55.11    .  .  0 "[    .    1    .    2]" 
       100 . 1  59 SER N 1  59 SER CA 1  59 SER C  1  60 ILE N  -56.90 -16.90 -53.17  -59.66 -43.77 2.76 10  0 "[    .    1    .    2]" 
       101 . 1  59 SER C 1  60 ILE N  1  60 ILE CA 1  60 ILE C  -89.40 -49.40 -61.69  -67.80 -58.23    .  .  0 "[    .    1    .    2]" 
       102 . 1  60 ILE N 1  60 ILE CA 1  60 ILE C  1  61 GLN N  -56.30 -16.30 -49.15  -51.82 -52.92    .  .  0 "[    .    1    .    2]" 
       103 . 1  60 ILE C 1  61 GLN N  1  61 GLN CA 1  61 GLN C  -84.40 -44.40 -57.40  -59.56 -61.13    .  .  0 "[    .    1    .    2]" 
       104 . 1  61 GLN N 1  61 GLN CA 1  61 GLN C  1  62 ASP N  -62.80 -22.80 -42.98  -54.60 -31.35    .  .  0 "[    .    1    .    2]" 
       105 . 1  61 GLN C 1  62 ASP N  1  62 ASP CA 1  62 ASP C  -86.30 -46.30 -68.80  -77.87 -62.90    .  .  0 "[    .    1    .    2]" 
       106 . 1  62 ASP N 1  62 ASP CA 1  62 ASP C  1  63 MET N  -56.80 -16.80 -50.77  -58.26 -38.74 1.46 20  0 "[    .    1    .    2]" 
       107 . 1  62 ASP C 1  63 MET N  1  63 MET CA 1  63 MET C  -87.90 -47.90 -62.18  -62.03 -62.92    .  .  0 "[    .    1    .    2]" 
       108 . 1  63 MET N 1  63 MET CA 1  63 MET C  1  64 VAL N  -61.50 -21.50 -49.12  -60.17 -44.43    .  .  0 "[    .    1    .    2]" 
       109 . 1  63 MET C 1  64 VAL N  1  64 VAL CA 1  64 VAL C  -83.70 -43.70 -61.13  -66.99 -55.77    .  .  0 "[    .    1    .    2]" 
       110 . 1  64 VAL N 1  64 VAL CA 1  64 VAL C  1  65 ALA N  -62.80 -22.80 -43.38  -45.58 -47.70    .  .  0 "[    .    1    .    2]" 
       111 . 1  64 VAL C 1  65 ALA N  1  65 ALA CA 1  65 ALA C  -85.70 -45.70 -64.72  -64.22 -64.67    .  .  0 "[    .    1    .    2]" 
       112 . 1  65 ALA N 1  65 ALA CA 1  65 ALA C  1  66 GLY N  -55.90 -15.90 -31.15  -35.98 -24.61    .  .  0 "[    .    1    .    2]" 
       113 . 1  65 ALA C 1  66 GLY N  1  66 GLY CA 1  66 GLY C  -84.40 -44.40 -64.70  -61.50 -62.24    .  .  0 "[    .    1    .    2]" 
       114 . 1  66 GLY N 1  66 GLY CA 1  66 GLY C  1  67 TYR N  -60.60 -20.60 -46.56  -47.27 -48.01    .  .  0 "[    .    1    .    2]" 
       115 . 1  66 GLY C 1  67 TYR N  1  67 TYR CA 1  67 TYR C  -86.20 -46.20 -67.38  -73.21 -60.17    .  .  0 "[    .    1    .    2]" 
       116 . 1  67 TYR N 1  67 TYR CA 1  67 TYR C  1  68 ILE N  -60.20 -20.20 -31.33  -35.72 -25.97    .  .  0 "[    .    1    .    2]" 
       117 . 1  67 TYR C 1  68 ILE N  1  68 ILE CA 1  68 ILE C  -84.40 -44.40 -68.75  -69.74 -70.27    .  .  0 "[    .    1    .    2]" 
       118 . 1  68 ILE N 1  68 ILE CA 1  68 ILE C  1  69 LYS N  -63.30 -23.30 -48.79  -57.73 -38.24    .  .  0 "[    .    1    .    2]" 
       119 . 1  68 ILE C 1  69 LYS N  1  69 LYS CA 1  69 LYS C  -83.40 -43.40 -64.65  -71.84 -57.70    .  .  0 "[    .    1    .    2]" 
       120 . 1  69 LYS N 1  69 LYS CA 1  69 LYS C  1  70 GLN N  -61.10 -21.10 -39.49  -37.73 -40.28    .  .  0 "[    .    1    .    2]" 
       121 . 1  69 LYS C 1  70 GLN N  1  70 GLN CA 1  70 GLN C  -85.30 -45.30 -59.46  -64.05 -55.94    .  .  0 "[    .    1    .    2]" 
       122 . 1  70 GLN N 1  70 GLN CA 1  70 GLN C  1  71 THR N  -59.00 -19.00 -57.23  -56.12 -56.88 3.44 14  0 "[    .    1    .    2]" 
       123 . 1  70 GLN C 1  71 THR N  1  71 THR CA 1  71 THR C  -83.90 -43.90 -67.65  -73.68 -61.69    .  .  0 "[    .    1    .    2]" 
       124 . 1  71 THR N 1  71 THR CA 1  71 THR C  1  72 LEU N  -63.90 -23.90 -37.09  -36.42 -37.24    .  .  0 "[    .    1    .    2]" 
       125 . 1  71 THR C 1  72 LEU N  1  72 LEU CA 1  72 LEU C  -85.60 -45.60 -69.45  -76.16 -63.52    .  .  0 "[    .    1    .    2]" 
       126 . 1  72 LEU N 1  72 LEU CA 1  72 LEU C  1  73 ASP N  -62.70 -22.70 -38.16  -47.67 -30.33    .  .  0 "[    .    1    .    2]" 
       127 . 1  72 LEU C 1  73 ASP N  1  73 ASP CA 1  73 ASP C  -83.50 -43.50 -69.69  -68.34 -70.28    .  .  0 "[    .    1    .    2]" 
       128 . 1  73 ASP N 1  73 ASP CA 1  73 ASP C  1  74 ASN N  -61.20 -21.20 -47.63  -45.82 -46.05    .  .  0 "[    .    1    .    2]" 
       129 . 1  73 ASP C 1  74 ASN N  1  74 ASN CA 1  74 ASN C  -87.00 -47.00 -66.17  -75.19 -59.38    .  .  0 "[    .    1    .    2]" 
       130 . 1  74 ASN N 1  74 ASN CA 1  74 ASN C  1  75 GLU N  -57.20 -17.20 -37.71  -42.84 -44.79    .  .  0 "[    .    1    .    2]" 
       131 . 1  74 ASN C 1  75 GLU N  1  75 GLU CA 1  75 GLU C  -84.90 -44.90 -75.56  -79.67 -68.95    .  .  0 "[    .    1    .    2]" 
       132 . 1  75 GLU N 1  75 GLU CA 1  75 GLU C  1  76 GLN N  -59.60 -19.60 -31.79  -24.42 -28.15    .  .  0 "[    .    1    .    2]" 
       133 . 1  75 GLU C 1  76 GLN N  1  76 GLN CA 1  76 GLN C  -84.20 -44.20 -62.53  -69.17 -52.22    .  .  0 "[    .    1    .    2]" 
       134 . 1  76 GLN N 1  76 GLN CA 1  76 GLN C  1  77 LEU N  -60.80 -20.80 -45.23  -49.25 -50.48    .  .  0 "[    .    1    .    2]" 
       135 . 1  76 GLN C 1  77 LEU N  1  77 LEU CA 1  77 LEU C  -85.80 -45.80 -67.80  -72.48 -60.46    .  .  0 "[    .    1    .    2]" 
       136 . 1  77 LEU N 1  77 LEU CA 1  77 LEU C  1  78 LEU N  -61.20 -21.20 -37.64  -36.61 -37.96    .  .  0 "[    .    1    .    2]" 
       137 . 1  77 LEU C 1  78 LEU N  1  78 LEU CA 1  78 LEU C  -83.90 -43.90 -59.77  -68.78 -56.10    .  .  0 "[    .    1    .    2]" 
       138 . 1  78 LEU N 1  78 LEU CA 1  78 LEU C  1  79 LYS N  -62.50 -22.50 -54.75  -65.53 -39.62 3.03 16  0 "[    .    1    .    2]" 
       139 . 1  78 LEU C 1  79 LYS N  1  79 LYS CA 1  79 LYS C  -83.30 -43.30 -64.54  -62.03 -62.43    .  .  0 "[    .    1    .    2]" 
       140 . 1  79 LYS N 1  79 LYS CA 1  79 LYS C  1  80 GLY N  -62.10 -22.10 -39.13  -50.27 -51.37 0.02  6  0 "[    .    1    .    2]" 
       141 . 1  79 LYS C 1  80 GLY N  1  80 GLY CA 1  80 GLY C  -84.30 -44.30 -66.44  -62.47 -63.73    .  .  0 "[    .    1    .    2]" 
       142 . 1  80 GLY N 1  80 GLY CA 1  80 GLY C  1  81 LEU N  -61.50 -21.50 -49.96  -62.77 -39.66 1.27 19  0 "[    .    1    .    2]" 
       143 . 1  80 GLY C 1  81 LEU N  1  81 LEU CA 1  81 LEU C  -86.10 -46.10 -61.05  -68.38 -53.69    .  .  0 "[    .    1    .    2]" 
       144 . 1  81 LEU N 1  81 LEU CA 1  81 LEU C  1  82 LEU N  -63.00 -23.00 -49.74  -61.57 -38.90    .  .  0 "[    .    1    .    2]" 
       145 . 1  81 LEU C 1  82 LEU N  1  82 LEU CA 1  82 LEU C  -84.50 -44.50 -70.98  -67.79 -71.20    .  .  0 "[    .    1    .    2]" 
       146 . 1  82 LEU N 1  82 LEU CA 1  82 LEU C  1  83 GLN N  -63.10 -23.10 -31.76  -44.58 -23.17    .  .  0 "[    .    1    .    2]" 
       147 . 1  82 LEU C 1  83 GLN N  1  83 GLN CA 1  83 GLN C  -83.40 -43.40 -65.26  -69.62 -61.15    .  .  0 "[    .    1    .    2]" 
       148 . 1  83 GLN N 1  83 GLN CA 1  83 GLN C  1  84 GLN N  -58.70 -18.70 -48.61  -47.46 -48.30    .  .  0 "[    .    1    .    2]" 
       149 . 1  83 GLN C 1  84 GLN N  1  84 GLN CA 1  84 GLN C  -85.40 -45.40 -62.90  -68.98 -73.00    .  .  0 "[    .    1    .    2]" 
       150 . 1  84 GLN N 1  84 GLN CA 1  84 GLN C  1  85 ARG N  -60.20 -20.20 -36.66  -45.44 -24.48    .  .  0 "[    .    1    .    2]" 
       151 . 1  84 GLN C 1  85 ARG N  1  85 ARG CA 1  85 ARG C  -86.60 -46.60 -70.99  -76.81 -64.37    .  .  0 "[    .    1    .    2]" 
       152 . 1  85 ARG N 1  85 ARG CA 1  85 ARG C  1  86 LEU N  -59.60 -19.60 -47.18  -44.96 -47.08    .  .  0 "[    .    1    .    2]" 
       153 . 1  85 ARG C 1  86 LEU N  1  86 LEU CA 1  86 LEU C  -85.50 -45.50 -67.66  -75.84 -60.79    .  .  0 "[    .    1    .    2]" 
       154 . 1  86 LEU N 1  86 LEU CA 1  86 LEU C  1  87 ASP N  -61.50 -21.50 -30.61  -41.26 -21.81    .  .  0 "[    .    1    .    2]" 
       155 . 1  86 LEU C 1  87 ASP N  1  87 ASP CA 1  87 ASP C  -86.50 -46.50 -63.91  -76.60 -56.25    .  .  0 "[    .    1    .    2]" 
       156 . 1  87 ASP N 1  87 ASP CA 1  87 ASP C  1  88 GLU N  -58.90 -18.90 -48.54  -48.19 -50.12    .  .  0 "[    .    1    .    2]" 
       157 . 1  87 ASP C 1  88 GLU N  1  88 GLU CA 1  88 GLU C  -86.40 -46.40 -60.22  -64.33 -54.81    .  .  0 "[    .    1    .    2]" 
       158 . 1  88 GLU N 1  88 GLU CA 1  88 GLU C  1  89 LEU N  -60.00 -20.00 -53.80  -60.75 -41.19 0.75 19  0 "[    .    1    .    2]" 
       159 . 1  88 GLU C 1  89 LEU N  1  89 LEU CA 1  89 LEU C  -85.60 -45.60 -55.53  -57.42 -58.56    .  .  0 "[    .    1    .    2]" 
       160 . 1  89 LEU N 1  89 LEU CA 1  89 LEU C  1  90 SER N  -59.10 -19.10 -43.79  -43.42 -43.89    .  .  0 "[    .    1    .    2]" 
       161 . 1  89 LEU C 1  90 SER N  1  90 SER CA 1  90 SER C  -85.40 -45.40 -66.29  -68.60 -69.15    .  .  0 "[    .    1    .    2]" 
       162 . 1  90 SER N 1  90 SER CA 1  90 SER C  1  91 SER N  -56.70 -16.70 -35.41  -30.30 -30.80    .  .  0 "[    .    1    .    2]" 
       163 . 1  90 SER C 1  91 SER N  1  91 SER CA 1  91 SER C  -88.80 -48.80 -69.56  -80.27 -59.68    .  .  0 "[    .    1    .    2]" 
       164 . 1  91 SER N 1  91 SER CA 1  91 SER C  1  92 LEU N  -54.90 -14.90 -30.94  -27.52 -31.20    .  .  0 "[    .    1    .    2]" 
       165 . 1  91 SER C 1  92 LEU N  1  92 LEU CA 1  92 LEU C  -90.80 -50.80 -74.98  -82.17 -68.41    .  .  0 "[    .    1    .    2]" 
       166 . 1  92 LEU N 1  92 LEU CA 1  92 LEU C  1  93 ILE N  -52.90 -12.90 -43.12  -53.04 -33.22 0.14  3  0 "[    .    1    .    2]" 
       167 . 1  92 LEU C 1  93 ILE N  1  93 ILE CA 1  93 ILE C  -88.30 -48.30 -75.20  -89.40 -62.73 1.10  4  0 "[    .    1    .    2]" 
       168 . 1  93 ILE N 1  93 ILE CA 1  93 ILE C  1  94 GLY N  -54.80 -14.80 -42.00  -57.63 -15.64 2.83  4  0 "[    .    1    .    2]" 
       169 . 1 112 GLY C 1 113 ILE N  1 113 ILE CA 1 113 ILE C  -85.50 -45.50 -64.82  -71.98 -57.09    .  .  0 "[    .    1    .    2]" 
       170 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C  1 114 GLU N  -59.20 -19.20 -33.05  -58.00 -14.56 4.64  4  0 "[    .    1    .    2]" 
       171 . 1 113 ILE C 1 114 GLU N  1 114 GLU CA 1 114 GLU C  -86.00 -46.00 -60.15  -73.02 -49.69    .  .  0 "[    .    1    .    2]" 
       172 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C  1 115 GLY N  -60.80 -20.80 -44.61  -46.09 -48.97 0.08  7  0 "[    .    1    .    2]" 
       173 . 1 114 GLU C 1 115 GLY N  1 115 GLY CA 1 115 GLY C  -85.60 -45.60 -62.02  -72.46 -53.21    .  .  0 "[    .    1    .    2]" 
       174 . 1 115 GLY N 1 115 GLY CA 1 115 GLY C  1 116 MET N  -60.70 -20.70 -47.85  -60.16 -31.10    .  .  0 "[    .    1    .    2]" 
       175 . 1 116 MET C 1 117 THR N  1 117 THR CA 1 117 THR C  -83.70 -43.70 -68.05  -71.53 -65.51    .  .  0 "[    .    1    .    2]" 
       176 . 1 117 THR N 1 117 THR CA 1 117 THR C  1 118 THR N  -58.10 -18.10 -48.60  -48.46 -51.50    .  .  0 "[    .    1    .    2]" 
       177 . 1 117 THR C 1 118 THR N  1 118 THR CA 1 118 THR C  -84.40 -44.40 -61.13  -70.11 -53.25    .  .  0 "[    .    1    .    2]" 
       178 . 1 118 THR N 1 118 THR CA 1 118 THR C  1 119 ARG N  -64.10 -24.10 -44.31  -38.77 -40.23    .  .  0 "[    .    1    .    2]" 
       179 . 1 118 THR C 1 119 ARG N  1 119 ARG CA 1 119 ARG C  -85.50 -45.50 -61.54  -71.76 -52.71    .  .  0 "[    .    1    .    2]" 
       180 . 1 119 ARG N 1 119 ARG CA 1 119 ARG C  1 120 LEU N  -63.30 -23.30 -52.47  -44.07 -46.84 0.20 20  0 "[    .    1    .    2]" 
       181 . 1 119 ARG C 1 120 LEU N  1 120 LEU CA 1 120 LEU C  -85.10 -45.10 -69.09  -77.16 -61.40    .  .  0 "[    .    1    .    2]" 
       182 . 1 120 LEU N 1 120 LEU CA 1 120 LEU C  1 121 THR N  -61.90 -21.90 -29.84  -41.79 -22.05    .  .  0 "[    .    1    .    2]" 
       183 . 1 120 LEU C 1 121 THR N  1 121 THR CA 1 121 THR C  -83.30 -43.30 -73.40  -74.91 -76.16    .  .  0 "[    .    1    .    2]" 
       184 . 1 121 THR N 1 121 THR CA 1 121 THR C  1 122 ARG N  -61.90 -21.90 -44.03  -43.23 -44.21    .  .  0 "[    .    1    .    2]" 
       185 . 1 121 THR C 1 122 ARG N  1 122 ARG CA 1 122 ARG C  -83.60 -43.60 -63.26  -67.54 -57.36    .  .  0 "[    .    1    .    2]" 
       186 . 1 122 ARG N 1 122 ARG CA 1 122 ARG C  1 123 TRP N  -62.90 -22.90 -33.78  -31.73 -33.77    .  .  0 "[    .    1    .    2]" 
       187 . 1 122 ARG C 1 123 TRP N  1 123 TRP CA 1 123 TRP C  -83.50 -43.50 -65.83  -71.98 -61.16    .  .  0 "[    .    1    .    2]" 
       188 . 1 123 TRP N 1 123 TRP CA 1 123 TRP C  1 124 LEU N  -65.50 -25.50 -47.26  -42.60 -44.61    .  .  0 "[    .    1    .    2]" 
       189 . 1 123 TRP C 1 124 LEU N  1 124 LEU CA 1 124 LEU C  -82.50 -42.50 -67.38  -73.46 -60.69    .  .  0 "[    .    1    .    2]" 
       190 . 1 124 LEU N 1 124 LEU CA 1 124 LEU C  1 125 THR N  -61.70 -21.70 -35.08  -31.46 -32.79    .  .  0 "[    .    1    .    2]" 
       191 . 1 124 LEU C 1 125 THR N  1 125 THR CA 1 125 THR C  -85.00 -45.00 -69.53  -65.58 -72.04    .  .  0 "[    .    1    .    2]" 
       192 . 1 125 THR N 1 125 THR CA 1 125 THR C  1 126 ALA N  -62.50 -22.50 -35.99  -51.23 -23.12    .  .  0 "[    .    1    .    2]" 
       193 . 1 125 THR C 1 126 ALA N  1 126 ALA CA 1 126 ALA C  -85.40 -45.40 -72.68  -75.21 -76.51    .  .  0 "[    .    1    .    2]" 
       194 . 1 126 ALA N 1 126 ALA CA 1 126 ALA C  1 127 LEU N  -61.70 -21.70 -29.98  -35.98 -24.74    .  .  0 "[    .    1    .    2]" 
       195 . 1 126 ALA C 1 127 LEU N  1 127 LEU CA 1 127 LEU C  -85.00 -45.00 -70.20  -69.16 -69.66    .  .  0 "[    .    1    .    2]" 
       196 . 1 127 LEU N 1 127 LEU CA 1 127 LEU C  1 128 ASP N  -59.70 -19.70 -45.87  -44.13 -45.25    .  .  0 "[    .    1    .    2]" 
       197 . 1 127 LEU C 1 128 ASP N  1 128 ASP CA 1 128 ASP C  -85.80 -45.80 -64.89  -59.62 -60.19    .  .  0 "[    .    1    .    2]" 
       198 . 1 128 ASP N 1 128 ASP CA 1 128 ASP C  1 129 ASN N  -62.50 -22.50 -37.07  -43.89 -22.32 0.18 20  0 "[    .    1    .    2]" 
       199 . 1 128 ASP C 1 129 ASN N  1 129 ASN CA 1 129 ASN C  -87.80 -47.80 -64.74  -72.24 -57.66    .  .  0 "[    .    1    .    2]" 
       200 . 1 129 ASN N 1 129 ASN CA 1 129 ASN C  1 130 PHE N  -55.70 -15.70 -46.52  -47.99 -48.57    .  .  0 "[    .    1    .    2]" 
       201 . 1 129 ASN C 1 130 PHE N  1 130 PHE CA 1 130 PHE C  -84.40 -44.40 -59.16  -62.33 -54.52    .  .  0 "[    .    1    .    2]" 
       202 . 1 130 PHE N 1 130 PHE CA 1 130 PHE C  1 131 GLU N  -63.20 -23.20 -59.68  -63.22 -56.07 0.02  6  0 "[    .    1    .    2]" 
       203 . 1 130 PHE C 1 131 GLU N  1 131 GLU CA 1 131 GLU C  -83.40 -43.40 -46.95  -54.78 -41.75 1.65  1  0 "[    .    1    .    2]" 
       204 . 1 131 GLU N 1 131 GLU CA 1 131 GLU C  1 132 ALA N  -60.30 -20.30 -51.03  -53.68 -54.88    .  .  0 "[    .    1    .    2]" 
       205 . 1 131 GLU C 1 132 ALA N  1 132 ALA CA 1 132 ALA C  -84.90 -44.90 -62.33  -63.97 -64.37    .  .  0 "[    .    1    .    2]" 
       206 . 1 132 ALA N 1 132 ALA CA 1 132 ALA C  1 133 LYS N  -60.40 -20.40 -59.24  -63.40 -52.63 3.00 13  0 "[    .    1    .    2]" 
       207 . 1 132 ALA C 1 133 LYS N  1 133 LYS CA 1 133 LYS C  -86.60 -46.60 -64.77  -59.33 -60.47    .  .  0 "[    .    1    .    2]" 
       208 . 1 133 LYS N 1 133 LYS CA 1 133 LYS C  1 134 MET N  -59.10 -19.10 -33.94  -40.85 -25.06    .  .  0 "[    .    1    .    2]" 
       209 . 1 133 LYS C 1 134 MET N  1 134 MET CA 1 134 MET C  -88.60 -48.60 -81.05  -79.80 -80.71    .  .  0 "[    .    1    .    2]" 
       210 . 1 134 MET N 1 134 MET CA 1 134 MET C  1 135 ALA N  -50.50 -10.50 -25.86  -25.57 -26.28    .  .  0 "[    .    1    .    2]" 
       211 . 1 134 MET C 1 135 ALA N  1 135 ALA CA 1 135 ALA C  -89.20 -49.20 -71.92  -70.22 -70.27    .  .  0 "[    .    1    .    2]" 
       212 . 1 135 ALA N 1 135 ALA CA 1 135 ALA C  1 136 LEU N  -42.30  -2.30 -28.81  -37.13 -15.38    .  .  0 "[    .    1    .    2]" 
       213 . 1 135 ALA C 1 136 LEU N  1 136 LEU CA 1 136 LEU C -106.60 -66.60 -78.51  -83.07 -86.65    .  .  0 "[    .    1    .    2]" 
       214 . 1 136 LEU N 1 136 LEU CA 1 136 LEU C  1 137 LEU N  -30.00  10.00 -19.94  -31.12 -11.68 1.12 10  0 "[    .    1    .    2]" 
       215 . 1 115 GLY C 1 116 MET N  1 116 MET CA 1 116 MET C  -86.40 -46.40 -57.49  -56.86 -58.49    .  .  0 "[    .    1    .    2]" 
       216 . 1 116 MET N 1 116 MET CA 1 116 MET C  1 117 THR N  -64.70 -24.70 -51.04  -50.75 -51.05 1.16 10  0 "[    .    1    .    2]" 
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