NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype
441870 2kbq cing 4-filtered-FRED Wattos check violation dihedral angle


data_2kbq


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              114
    _TA_constraint_stats_list.Viol_count                    437
    _TA_constraint_stats_list.Viol_total                    1747.27
    _TA_constraint_stats_list.Viol_max                      1.34
    _TA_constraint_stats_list.Viol_rms                      0.12
    _TA_constraint_stats_list.Viol_average_all_restraints   0.04
    _TA_constraint_stats_list.Viol_average_violations_only  0.20
    _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  4 LYS C 1  5 VAL N  1  5 VAL CA 1  5 VAL C  -74.69 -52.17 -67.87 -74.92  -53.66 0.23  2 0 "[    .    1    .    2]" 
         2 . 1  4 LYS N 1  4 LYS CA 1  4 LYS C  1  5 VAL N  -57.88 -23.88 -51.30 -38.17  -43.51 0.34 18 0 "[    .    1    .    2]" 
         3 . 1  5 VAL C 1  6 ALA N  1  6 ALA CA 1  6 ALA C  -75.58 -52.98 -56.86 -62.50  -53.00    .  . 0 "[    .    1    .    2]" 
         4 . 1  5 VAL N 1  5 VAL CA 1  5 VAL C  1  6 ALA N  -56.74 -26.18 -26.55 -29.83  -25.95 0.23 20 0 "[    .    1    .    2]" 
         5 . 1  6 ALA C 1  7 ARG N  1  7 ARG CA 1  7 ARG C  -67.81 -57.13 -63.28 -67.92  -59.38 0.11 11 0 "[    .    1    .    2]" 
         6 . 1  6 ALA N 1  6 ALA CA 1  6 ALA C  1  7 ARG N  -47.46 -30.78 -44.77 -47.70  -39.63 0.24  5 0 "[    .    1    .    2]" 
         7 . 1  7 ARG C 1  8 GLU N  1  8 GLU CA 1  8 GLU C  -79.05 -50.25 -62.17 -67.70  -58.41    .  . 0 "[    .    1    .    2]" 
         8 . 1  7 ARG N 1  7 ARG CA 1  7 ARG C  1  8 GLU N  -54.58 -26.34 -52.41 -53.21  -54.32 0.23 18 0 "[    .    1    .    2]" 
         9 . 1  8 GLU C 1  9 PHE N  1  9 PHE CA 1  9 PHE C  -69.56 -60.20 -61.74 -66.01  -60.10 0.10 12 0 "[    .    1    .    2]" 
        10 . 1  8 GLU N 1  8 GLU CA 1  8 GLU C  1  9 PHE N  -49.63 -30.51 -32.58 -31.45  -32.26 0.29 19 0 "[    .    1    .    2]" 
        11 . 1  9 PHE C 1 10 ARG N  1 10 ARG CA 1 10 ARG C  -71.27 -53.43 -60.03 -59.44  -60.08    .  . 0 "[    .    1    .    2]" 
        12 . 1  9 PHE N 1  9 PHE CA 1  9 PHE C  1 10 ARG N  -53.74 -32.42 -50.68 -54.03  -32.70 0.29 14 0 "[    .    1    .    2]" 
        13 . 1 10 ARG C 1 11 HIS N  1 11 HIS CA 1 11 HIS C  -75.23 -53.11 -65.50 -71.59  -57.82    .  . 0 "[    .    1    .    2]" 
        14 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C  1 11 HIS N  -52.07 -29.91 -42.87 -43.25  -44.52 0.02  4 0 "[    .    1    .    2]" 
        15 . 1 11 HIS C 1 12 LYS N  1 12 LYS CA 1 12 LYS C  -72.80 -57.32 -63.09 -69.40  -57.34    .  . 0 "[    .    1    .    2]" 
        16 . 1 11 HIS N 1 11 HIS CA 1 11 HIS C  1 12 LYS N  -53.18 -35.22 -46.52 -53.36  -35.39 0.18 11 0 "[    .    1    .    2]" 
        17 . 1 12 LYS C 1 13 VAL N  1 13 VAL CA 1 13 VAL C  -76.25 -52.69 -54.52 -65.87  -52.32 0.37 20 0 "[    .    1    .    2]" 
        18 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C  1 13 VAL N  -58.80 -22.44 -49.14 -50.74  -54.65 0.11 16 0 "[    .    1    .    2]" 
        19 . 1 13 VAL C 1 14 ASP N  1 14 ASP CA 1 14 ASP C  -73.36 -57.92 -63.96 -59.51  -60.29 0.00 18 0 "[    .    1    .    2]" 
        20 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C  1 14 ASP N  -51.61 -37.01 -47.37 -51.74  -41.55 0.13 11 0 "[    .    1    .    2]" 
        21 . 1 14 ASP C 1 15 PHE N  1 15 PHE CA 1 15 PHE C  -68.78 -50.70 -68.90 -68.80  -68.82 0.21 19 0 "[    .    1    .    2]" 
        22 . 1 14 ASP N 1 14 ASP CA 1 14 ASP C  1 15 PHE N  -59.28 -15.44 -36.71 -42.03  -43.17    .  . 0 "[    .    1    .    2]" 
        23 . 1 15 PHE C 1 16 LEU N  1 16 LEU CA 1 16 LEU C -114.00 -43.12 -78.45 -84.87  -65.59    .  . 0 "[    .    1    .    2]" 
        24 . 1 15 PHE N 1 15 PHE CA 1 15 PHE C  1 16 LEU N  -50.79 -13.59 -45.06 -44.72  -49.07 0.20  1 0 "[    .    1    .    2]" 
        25 . 1 18 GLU C 1 19 ASN N  1 19 ASN CA 1 19 ASN C -111.71 -35.03 -97.26 -99.98 -109.00 0.23 16 0 "[    .    1    .    2]" 
        26 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C  1 19 ASN N  -63.61   1.07   1.04   1.37    1.37 0.42 20 0 "[    .    1    .    2]" 
        27 . 1 20 ASP C 1 21 ALA N  1 21 ALA CA 1 21 ALA C  -66.96 -47.76 -65.74 -67.00  -67.02 0.25 14 0 "[    .    1    .    2]" 
        28 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C  1 21 ALA N  -61.77 -18.29 -39.81 -41.90  -46.44 0.14 15 0 "[    .    1    .    2]" 
        29 . 1 21 ALA C 1 22 GLU N  1 22 GLU CA 1 22 GLU C  -67.94 -50.82 -63.13 -67.90  -58.11    .  . 0 "[    .    1    .    2]" 
        30 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C  1 22 GLU N  -57.55 -30.55 -45.96 -40.75  -43.34    .  . 0 "[    .    1    .    2]" 
        31 . 1 22 GLU C 1 23 LYS N  1 23 LYS CA 1 23 LYS C  -71.86 -58.30 -66.20 -71.85  -58.13 0.17  1 0 "[    .    1    .    2]" 
        32 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C  1 23 LYS N  -50.64 -34.00 -38.82 -37.36  -38.50 0.22 14 0 "[    .    1    .    2]" 
        33 . 1 23 LYS C 1 24 ASP N  1 24 ASP CA 1 24 ASP C  -72.78 -52.62 -69.63 -72.97  -59.77 0.19 11 0 "[    .    1    .    2]" 
        34 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C  1 24 ASP N  -56.56 -28.48 -36.43 -40.10  -41.86    .  . 0 "[    .    1    .    2]" 
        35 . 1 24 ASP C 1 25 TYR N  1 25 TYR CA 1 25 TYR C  -80.58 -52.78 -68.06 -72.10  -62.31    .  . 0 "[    .    1    .    2]" 
        36 . 1 24 ASP N 1 24 ASP CA 1 24 ASP C  1 25 TYR N  -53.60 -28.72 -33.22 -31.67  -31.95    .  . 0 "[    .    1    .    2]" 
        37 . 1 25 TYR C 1 26 LEU N  1 26 LEU CA 1 26 LEU C  -86.94 -40.90 -64.72 -69.36  -59.56    .  . 0 "[    .    1    .    2]" 
        38 . 1 25 TYR N 1 25 TYR CA 1 25 TYR C  1 26 LEU N  -57.26 -27.62 -48.90 -57.08  -41.27    .  . 0 "[    .    1    .    2]" 
        39 . 1 26 LEU C 1 27 TYR N  1 27 TYR CA 1 27 TYR C  -72.23 -48.79 -67.15 -72.32  -57.60 0.09  2 0 "[    .    1    .    2]" 
        40 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C  1 27 TYR N  -62.89 -28.57 -35.65 -37.01  -45.50    .  . 0 "[    .    1    .    2]" 
        41 . 1 27 TYR C 1 28 ASP N  1 28 ASP CA 1 28 ASP C  -70.22 -54.50 -67.16 -69.20  -70.27 0.10  1 0 "[    .    1    .    2]" 
        42 . 1 27 TYR N 1 27 TYR CA 1 27 TYR C  1 28 ASP N  -47.35 -32.15 -36.88 -42.81  -32.90    .  . 0 "[    .    1    .    2]" 
        43 . 1 28 ASP C 1 29 VAL N  1 29 VAL CA 1 29 VAL C  -86.05 -50.81 -62.07 -65.23  -59.17    .  . 0 "[    .    1    .    2]" 
        44 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C  1 29 VAL N  -55.54 -20.26 -41.61 -46.92  -36.54    .  . 0 "[    .    1    .    2]" 
        45 . 1 29 VAL C 1 30 LEU N  1 30 LEU CA 1 30 LEU C  -74.70 -56.54 -64.71 -71.92  -60.42    .  . 0 "[    .    1    .    2]" 
        46 . 1 29 VAL N 1 29 VAL CA 1 29 VAL C  1 30 LEU N  -54.46 -31.94 -45.83 -38.05  -42.21    .  . 0 "[    .    1    .    2]" 
        47 . 1 30 LEU C 1 31 ARG N  1 31 ARG CA 1 31 ARG C  -94.87 -40.43 -57.07 -60.00  -55.13    .  . 0 "[    .    1    .    2]" 
        48 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C  1 31 ARG N  -59.10 -12.62 -44.83 -40.68  -43.50    .  . 0 "[    .    1    .    2]" 
        49 . 1 32 MET C 1 33 TYR N  1 33 TYR CA 1 33 TYR C  -71.10 -50.54 -61.15 -66.75  -58.66    .  . 0 "[    .    1    .    2]" 
        50 . 1 32 MET N 1 32 MET CA 1 32 MET C  1 33 TYR N  -54.44 -18.08 -31.04 -32.34  -34.86    .  . 0 "[    .    1    .    2]" 
        51 . 1 33 TYR C 1 34 HIS N  1 34 HIS CA 1 34 HIS C  -82.83 -54.07 -69.45 -67.53  -68.15    .  . 0 "[    .    1    .    2]" 
        52 . 1 33 TYR N 1 33 TYR CA 1 33 TYR C  1 34 HIS N  -55.61 -26.21 -33.01 -37.28  -27.01    .  . 0 "[    .    1    .    2]" 
        53 . 1 34 HIS C 1 35 GLN N  1 35 GLN CA 1 35 GLN C  -74.67 -50.71 -74.77 -75.07  -74.54 0.40 14 0 "[    .    1    .    2]" 
        54 . 1 34 HIS N 1 34 HIS CA 1 34 HIS C  1 35 GLN N  -55.15 -28.27 -46.14 -48.69  -51.17    .  . 0 "[    .    1    .    2]" 
        55 . 1 35 GLN C 1 36 THR N  1 36 THR CA 1 36 THR C  -78.66 -51.22 -74.52 -67.14  -72.53 0.15 12 0 "[    .    1    .    2]" 
        56 . 1 35 GLN N 1 35 GLN CA 1 35 GLN C  1 36 THR N  -55.25  -9.45 -44.73 -55.00  -36.06    .  . 0 "[    .    1    .    2]" 
        57 . 1 39 VAL C 1 40 ALA N  1 40 ALA CA 1 40 ALA C -100.42 -28.50 -59.97 -65.76  -55.99    .  . 0 "[    .    1    .    2]" 
        58 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C  1 40 ALA N  -68.39  10.93 -36.31 -45.66  -29.91    .  . 0 "[    .    1    .    2]" 
        59 . 1 40 ALA C 1 41 VAL N  1 41 VAL CA 1 41 VAL C  -73.43 -53.55 -71.71 -73.54  -62.58 0.11 10 0 "[    .    1    .    2]" 
        60 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C  1 41 VAL N  -52.54 -23.06 -42.96 -43.36  -46.91 0.05  9 0 "[    .    1    .    2]" 
        61 . 1 41 VAL C 1 42 LEU N  1 42 LEU CA 1 42 LEU C  -76.74 -58.22 -62.43 -68.74  -58.20 0.02  4 0 "[    .    1    .    2]" 
        62 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C  1 42 LEU N  -52.31 -36.43 -36.97 -43.45  -36.26 0.17  5 0 "[    .    1    .    2]" 
        63 . 1 42 LEU C 1 43 VAL N  1 43 VAL CA 1 43 VAL C  -70.05 -52.97 -61.24 -58.83  -59.76    .  . 0 "[    .    1    .    2]" 
        64 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C  1 43 VAL N  -52.19 -32.51 -48.32 -47.00  -49.76 0.08 10 0 "[    .    1    .    2]" 
        65 . 1 43 VAL C 1 44 GLY N  1 44 GLY CA 1 44 GLY C  -79.76 -52.48 -58.53 -63.11  -54.77    .  . 0 "[    .    1    .    2]" 
        66 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C  1 44 GLY N  -56.25 -39.61 -42.48 -39.77  -39.93 0.24 11 0 "[    .    1    .    2]" 
        67 . 1 44 GLY C 1 45 ASP N  1 45 ASP CA 1 45 ASP C  -73.04 -53.52 -60.11 -63.40  -54.75    .  . 0 "[    .    1    .    2]" 
        68 . 1 44 GLY N 1 44 GLY CA 1 44 GLY C  1 45 ASP N  -61.32 -24.76 -57.70 -57.09  -59.01 0.31 13 0 "[    .    1    .    2]" 
        69 . 1 45 ASP C 1 46 LEU N  1 46 LEU CA 1 46 LEU C  -79.25 -50.53 -57.36 -66.95  -50.76    .  . 0 "[    .    1    .    2]" 
        70 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C  1 46 LEU N  -58.47 -26.51 -46.15 -55.54  -29.95    .  . 0 "[    .    1    .    2]" 
        71 . 1 46 LEU C 1 47 LYS N  1 47 LYS CA 1 47 LYS C  -74.00 -52.80 -72.95 -74.13  -74.17 0.17  1 0 "[    .    1    .    2]" 
        72 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C  1 47 LYS N  -60.36 -20.48 -32.33 -29.52  -29.80    .  . 0 "[    .    1    .    2]" 
        73 . 1 47 LYS C 1 48 LEU N  1 48 LEU CA 1 48 LEU C  -79.17 -50.09 -55.29 -53.43  -53.66 0.12 17 0 "[    .    1    .    2]" 
        74 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C  1 48 LEU N  -52.67 -31.35 -47.34 -52.79  -35.43 0.12 13 0 "[    .    1    .    2]" 
        75 . 1 48 LEU C 1 49 VAL N  1 49 VAL CA 1 49 VAL C -100.23 -50.51 -82.74 -91.43  -92.10    .  . 0 "[    .    1    .    2]" 
        76 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C  1 49 VAL N  -52.98  -4.02 -40.53 -35.24  -36.56 0.14 12 0 "[    .    1    .    2]" 
        77 . 1 53 PRO C 1 54 SER N  1 54 SER CA 1 54 SER C  -67.58 -46.62 -66.62 -67.79  -59.58 0.21 15 0 "[    .    1    .    2]" 
        78 . 1 53 PRO N 1 53 PRO CA 1 53 PRO C  1 54 SER N  -52.31 -19.47 -31.02 -52.31  -23.87    .  . 0 "[    .    1    .    2]" 
        79 . 1 54 SER C 1 55 ARG N  1 55 ARG CA 1 55 ARG C  -91.99 -44.83 -88.13 -78.90  -82.21 0.38 19 0 "[    .    1    .    2]" 
        80 . 1 54 SER N 1 54 SER CA 1 54 SER C  1 55 ARG N  -60.09  -5.25 -30.26 -38.32  -19.79    .  . 0 "[    .    1    .    2]" 
        81 . 1 55 ARG C 1 56 LEU N  1 56 LEU CA 1 56 LEU C -118.64 -42.08 -50.06 -56.98  -43.08    .  . 0 "[    .    1    .    2]" 
        82 . 1 55 ARG N 1 55 ARG CA 1 55 ARG C  1 56 LEU N  -74.92  13.32  -8.49  -8.92  -12.21    .  . 0 "[    .    1    .    2]" 
        83 . 1 56 LEU C 1 57 PRO N  1 57 PRO CA 1 57 PRO C  -79.75 -29.95 -49.20 -46.36  -48.57    .  . 0 "[    .    1    .    2]" 
        84 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C  1 57 PRO N  -60.30 -24.34 -51.73 -60.15  -45.75    .  . 0 "[    .    1    .    2]" 
        85 . 1 57 PRO C 1 58 LEU N  1 58 LEU CA 1 58 LEU C  -70.59 -53.39 -57.48 -56.99  -57.48 0.23 20 0 "[    .    1    .    2]" 
        86 . 1 57 PRO N 1 57 PRO CA 1 57 PRO C  1 58 LEU N  -51.33 -18.37 -25.33 -28.50  -23.53    .  . 0 "[    .    1    .    2]" 
        87 . 1 58 LEU C 1 59 PHE N  1 59 PHE CA 1 59 PHE C  -74.46 -50.26 -50.96 -61.52  -49.86 0.40  3 0 "[    .    1    .    2]" 
        88 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C  1 59 PHE N  -52.40 -28.52 -37.60 -32.28  -34.56    .  . 0 "[    .    1    .    2]" 
        89 . 1 59 PHE C 1 60 ASP N  1 60 ASP CA 1 60 ASP C  -73.39 -53.87 -53.71 -53.90  -53.34 0.53 16 0 "[    .    1    .    2]" 
        90 . 1 59 PHE N 1 59 PHE CA 1 59 PHE C  1 60 ASP N  -51.36 -30.40 -34.46 -51.42  -30.02 0.38 16 0 "[    .    1    .    2]" 
        91 . 1 60 ASP C 1 61 ALA N  1 61 ALA CA 1 61 ALA C  -71.17 -59.85 -71.89 -72.51  -71.54 1.34  8 0 "[    .    1    .    2]" 
        92 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C  1 61 ALA N  -68.35  -8.55 -48.43 -49.78  -51.44    .  . 0 "[    .    1    .    2]" 
        93 . 1 61 ALA C 1 62 ILE N  1 62 ILE CA 1 62 ILE C  -74.38 -56.82 -70.84 -74.54  -65.54 0.16 20 0 "[    .    1    .    2]" 
        94 . 1 61 ALA N 1 61 ALA CA 1 61 ALA C  1 62 ILE N  -61.89 -12.77 -22.66 -21.69  -22.72    .  . 0 "[    .    1    .    2]" 
        95 . 1 62 ILE C 1 63 ARG N  1 63 ARG CA 1 63 ARG C  -72.33 -57.49 -58.95 -57.39  -57.44 0.83 17 0 "[    .    1    .    2]" 
        96 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C  1 63 ARG N  -56.42 -30.66 -36.42 -35.25  -35.78 0.32 12 0 "[    .    1    .    2]" 
        97 . 1 63 ARG C 1 64 PRO N  1 64 PRO CA 1 64 PRO C  -80.39 -35.51 -40.63 -46.12  -36.32    .  . 0 "[    .    1    .    2]" 
        98 . 1 63 ARG N 1 63 ARG CA 1 63 ARG C  1 64 PRO N  -59.48 -26.96 -56.70 -58.37  -59.03 0.34  4 0 "[    .    1    .    2]" 
        99 . 1 64 PRO C 1 65 LEU N  1 65 LEU CA 1 65 LEU C  -65.48 -51.88 -65.91 -66.73  -63.82 1.25 19 0 "[    .    1    .    2]" 
       100 . 1 64 PRO N 1 64 PRO CA 1 64 PRO C  1 65 LEU N  -52.39 -11.59 -51.91 -48.75  -50.57 1.31 11 0 "[    .    1    .    2]" 
       101 . 1 67 PRO C 1 68 LEU N  1 68 LEU CA 1 68 LEU C  -67.83 -50.43 -51.07 -51.95  -53.39 0.61 14 0 "[    .    1    .    2]" 
       102 . 1 67 PRO N 1 67 PRO CA 1 67 PRO C  1 68 LEU N  125.15 157.27 157.25 157.43  157.40 0.60 20 0 "[    .    1    .    2]" 
       103 . 1 71 GLN C 1 72 VAL N  1 72 VAL CA 1 72 VAL C  -67.80 -51.76 -58.66 -65.40  -56.08    .  . 0 "[    .    1    .    2]" 
       104 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C  1 72 VAL N  -56.70 -18.26 -49.01 -47.55  -49.08    .  . 0 "[    .    1    .    2]" 
       105 . 1 72 VAL C 1 73 GLU N  1 73 GLU CA 1 73 GLU C  -73.73 -47.61 -64.52 -62.30  -63.14    .  . 0 "[    .    1    .    2]" 
       106 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C  1 73 GLU N  -67.59 -27.99 -51.14 -55.98  -46.09    .  . 0 "[    .    1    .    2]" 
       107 . 1 73 GLU C 1 74 TYR N  1 74 TYR CA 1 74 TYR C  -78.65 -54.01 -54.78 -55.19  -56.39 0.18  6 0 "[    .    1    .    2]" 
       108 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C  1 74 TYR N  -54.68 -21.60 -37.11 -41.79  -31.73    .  . 0 "[    .    1    .    2]" 
       109 . 1 74 TYR C 1 75 ASP N  1 75 ASP CA 1 75 ASP C  -72.39 -46.23 -72.70 -72.75  -72.79 0.44 19 0 "[    .    1    .    2]" 
       110 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C  1 75 ASP N  -55.54 -33.02 -40.82 -41.20  -42.54    .  . 0 "[    .    1    .    2]" 
       111 . 1 75 ASP C 1 76 GLN N  1 76 GLN CA 1 76 GLN C  -65.66 -56.82 -65.24 -63.35  -65.07 0.11 11 0 "[    .    1    .    2]" 
       112 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C  1 76 GLN N  -59.27 -22.15 -32.90 -33.93  -34.24    .  . 0 "[    .    1    .    2]" 
       113 . 1 76 GLN C 1 77 LEU N  1 77 LEU CA 1 77 LEU C  -93.75 -45.51 -88.90 -93.83  -79.83 0.08 13 0 "[    .    1    .    2]" 
       114 . 1 76 GLN N 1 76 GLN CA 1 76 GLN C  1 77 LEU N  -65.74  -7.62 -31.00 -32.00  -32.27    .  . 0 "[    .    1    .    2]" 
    stop_

save_



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