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
635269 6g8o 27432 cing 4-filtered-FRED Wattos check violation dihedral angle


data_6g8o


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              142
    _TA_constraint_stats_list.Viol_count                    230
    _TA_constraint_stats_list.Viol_total                    15250.38
    _TA_constraint_stats_list.Viol_max                      31.43
    _TA_constraint_stats_list.Viol_rms                      2.31
    _TA_constraint_stats_list.Viol_average_all_restraints   0.48
    _TA_constraint_stats_list.Viol_average_violations_only  4.42
    _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  5 LEU N 1  5 LEU CA 1  5 LEU CB 1  5 LEU CG  150.00 -150.00 -167.41 -165.81 -166.43     .  .  0 "[    .    1    .]" 
         2 . 1  8 LEU N 1  8 LEU CA 1  8 LEU CB 1  8 LEU CG  150.00 -150.00 -166.90 -170.16 -164.49     .  .  0 "[    .    1    .]" 
         3 . 1  9 LEU N 1  9 LEU CA 1  9 LEU CB 1  9 LEU CG  -90.00  -30.00  -85.12  -87.26  -82.74     .  .  0 "[    .    1    .]" 
         4 . 1 14 LEU N 1 14 LEU CA 1 14 LEU CB 1 14 LEU CG  -90.00  -30.00  -79.51  -79.13  -79.44     .  .  0 "[    .    1    .]" 
         5 . 1 16 GLU N 1 16 GLU CA 1 16 GLU CB 1 16 GLU CG   30.00   90.00   58.61   55.32   62.87     .  .  0 "[    .    1    .]" 
         6 . 1 17 HIS N 1 17 HIS CA 1 17 HIS CB 1 17 HIS CG  -90.00  -30.00  -73.93  -72.76  -74.48     .  .  0 "[    .    1    .]" 
         7 . 1 23 LEU N 1 23 LEU CA 1 23 LEU CB 1 23 LEU CG  -90.00  -30.00  -62.44  -60.75  -61.13     .  .  0 "[    .    1    .]" 
         8 . 1 24 ASN N 1 24 ASN CA 1 24 ASN CB 1 24 ASN CG  -90.00  -30.00  -78.93  -82.45  -74.39     .  .  0 "[    .    1    .]" 
         9 . 1 26 TYR N 1 26 TYR CA 1 26 TYR CB 1 26 TYR CG  -90.00  -30.00  -61.67  -62.34  -62.48     .  .  0 "[    .    1    .]" 
        10 . 1 29 LEU N 1 29 LEU CA 1 29 LEU CB 1 29 LEU CG  -90.00  -30.00  -56.83  -56.51  -57.12     .  .  0 "[    .    1    .]" 
        11 . 1 32 PHE N 1 32 PHE CA 1 32 PHE CB 1 32 PHE CG  150.00 -150.00 -170.62 -168.15 -168.71     .  .  0 "[    .    1    .]" 
        12 . 1 34 GLU N 1 34 GLU CA 1 34 GLU CB 1 34 GLU CG  -90.00  -30.00  -53.91  -63.39  -43.79     .  .  0 "[    .    1    .]" 
        13 . 1 36 ARG N 1 36 ARG CA 1 36 ARG CB 1 36 ARG CG  -90.00  -30.00  -57.95  -64.51  -49.03     .  .  0 "[    .    1    .]" 
        14 . 1 40 LEU N 1 40 LEU CA 1 40 LEU CB 1 40 LEU CG  -90.00  -30.00  -92.34  -94.24  -95.35 10.63  4  9 "[*  +** * ** - *]" 
        15 . 1 41 ASN N 1 41 ASN CA 1 41 ASN CB 1 41 ASN CG  -90.00  -30.00  -69.21  -74.53  -75.55     .  .  0 "[    .    1    .]" 
        16 . 1 46 MET N 1 46 MET CA 1 46 MET CB 1 46 MET CG  -90.00  -30.00  -56.58  -61.78  -48.05     .  .  0 "[    .    1    .]" 
        17 . 1 50 HIS N 1 50 HIS CA 1 50 HIS CB 1 50 HIS CG  -90.00  -30.00  -63.89  -62.28  -62.72     .  .  0 "[    .    1    .]" 
        18 . 1 51 ARG N 1 51 ARG CA 1 51 ARG CB 1 51 ARG CG  -90.00  -30.00  -74.20  -74.22  -74.55     .  .  0 "[    .    1    .]" 
        19 . 1 53 LYS N 1 53 LYS CA 1 53 LYS CB 1 53 LYS CG  -90.00  -30.00  -54.06  -54.15  -54.33     .  .  0 "[    .    1    .]" 
        20 . 1 54 LEU N 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG  -90.00  -30.00  -67.40  -70.52  -65.37     .  .  0 "[    .    1    .]" 
        21 . 1 55 LEU N 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG  -90.00  -30.00  -81.27  -89.66  -75.11     .  .  0 "[    .    1    .]" 
        22 . 1 60 LEU N 1 60 LEU CA 1 60 LEU CB 1 60 LEU CG  -90.00  -30.00  -92.75  -93.06  -93.72  7.45 15  2 "[    .   -1    +]" 
        23 . 1 61 LEU N 1 61 LEU CA 1 61 LEU CB 1 61 LEU CG  -90.00  -30.00  -68.05  -64.89  -66.01     .  .  0 "[    .    1    .]" 
        24 . 1 68 CYS N 1 68 CYS CA 1 68 CYS CB 1 68 CYS SG  -90.00  -30.00  -64.18  -83.07  -52.28     .  .  0 "[    .    1    .]" 
        25 . 1  3 LYS N 1  3 LYS CA 1  3 LYS C  1  4 THR N   -55.05   21.17  -15.96  -22.35   -6.53     .  .  0 "[    .    1    .]" 
        26 . 1  2 PRO C 1  3 LYS N  1  3 LYS CA 1  3 LYS C  -128.61  -72.17  -97.82 -108.56 -114.36     .  .  0 "[    .    1    .]" 
        27 . 1  4 THR N 1  4 THR CA 1  4 THR C  1  5 LEU N   147.58  179.52  168.89  163.97  174.59     .  .  0 "[    .    1    .]" 
        28 . 1  3 LYS C 1  4 THR N  1  4 THR CA 1  4 THR C   175.16  -85.60 -125.57 -122.14 -123.41     .  .  0 "[    .    1    .]" 
        29 . 1  5 LEU N 1  5 LEU CA 1  5 LEU C  1  6 HIS N   -55.02  -18.10  -49.36  -51.76  -52.01     .  .  0 "[    .    1    .]" 
        30 . 1  4 THR C 1  5 LEU N  1  5 LEU CA 1  5 LEU C   -80.91  -50.11  -61.41  -65.49  -57.72     .  .  0 "[    .    1    .]" 
        31 . 1  6 HIS N 1  6 HIS CA 1  6 HIS C  1  7 GLU N   -57.08  -27.02  -44.82  -45.90  -46.49     .  .  0 "[    .    1    .]" 
        32 . 1  5 LEU C 1  6 HIS N  1  6 HIS CA 1  6 HIS C   -74.88  -44.66  -54.04  -58.06  -51.49     .  .  0 "[    .    1    .]" 
        33 . 1  7 GLU N 1  7 GLU CA 1  7 GLU C  1  8 LEU N   -58.70  -27.98  -35.17  -32.41  -33.00     .  .  0 "[    .    1    .]" 
        34 . 1  6 HIS C 1  7 GLU N  1  7 GLU CA 1  7 GLU C   -72.01  -55.45  -65.42  -71.60  -58.94     .  .  0 "[    .    1    .]" 
        35 . 1  8 LEU N 1  8 LEU CA 1  8 LEU C  1  9 LEU N   -54.88  -29.74  -42.83  -46.61  -38.10     .  .  0 "[    .    1    .]" 
        36 . 1  7 GLU C 1  8 LEU N  1  8 LEU CA 1  8 LEU C   -73.75  -52.19  -68.41  -70.30  -66.11     .  .  0 "[    .    1    .]" 
        37 . 1  9 LEU N 1  9 LEU CA 1  9 LEU C  1 10 GLU N   -47.97  -28.69  -40.12  -37.23  -38.25     .  .  0 "[    .    1    .]" 
        38 . 1  8 LEU C 1  9 LEU N  1  9 LEU CA 1  9 LEU C   -72.81  -47.49  -61.68  -61.93  -62.06     .  .  0 "[    .    1    .]" 
        39 . 1 10 GLU N 1 10 GLU CA 1 10 GLU C  1 11 ARG N   -47.78  -32.18  -32.15  -32.00  -33.33  4.17 10  0 "[    .    1    .]" 
        40 . 1  9 LEU C 1 10 GLU N  1 10 GLU CA 1 10 GLU C   -68.40  -60.06  -67.15  -70.09  -63.26  1.69  9  0 "[    .    1    .]" 
        41 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C  1 12 ILE N   -53.26  -11.02  -44.03  -41.44  -42.27     .  .  0 "[    .    1    .]" 
        42 . 1 10 GLU C 1 11 ARG N  1 11 ARG CA 1 11 ARG C   -71.07  -52.21  -64.45  -65.23  -65.86     .  .  0 "[    .    1    .]" 
        43 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C  1 13 GLY N   -13.51   26.31  -12.79  -15.58   -6.78  2.07 15  0 "[    .    1    .]" 
        44 . 1 11 ARG C 1 12 ILE N  1 12 ILE CA 1 12 ILE C  -118.05  -69.19  -90.98  -98.06  -81.51     .  .  0 "[    .    1    .]" 
        45 . 1 13 GLY N 1 13 GLY CA 1 13 GLY C  1 14 LEU N   -11.00   42.96   28.77   28.75   28.28     .  .  0 "[    .    1    .]" 
        46 . 1 12 ILE C 1 13 GLY N  1 13 GLY CA 1 13 GLY C    44.82  121.52   91.92   90.16   89.33     .  .  0 "[    .    1    .]" 
        47 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C  1 16 GLU N   -53.82  -18.18  -18.75  -22.32  -14.18  4.00  1  0 "[    .    1    .]" 
        48 . 1 14 LEU C 1 15 GLU N  1 15 GLU CA 1 15 GLU C   -66.39  -49.25  -59.79  -61.41  -63.51     .  .  0 "[    .    1    .]" 
        49 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C  1 17 HIS N   -45.49    9.89  -21.45  -21.05  -21.38     .  .  0 "[    .    1    .]" 
        50 . 1 15 GLU C 1 16 GLU N  1 16 GLU CA 1 16 GLU C   -80.95  -53.17  -61.66  -61.61  -62.39     .  .  0 "[    .    1    .]" 
        51 . 1 17 HIS N 1 17 HIS CA 1 17 HIS C  1 18 THR N   -32.74   43.92    9.52    3.82   14.41     .  .  0 "[    .    1    .]" 
        52 . 1 16 GLU C 1 17 HIS N  1 17 HIS CA 1 17 HIS C  -140.06  -64.38 -116.47 -121.22 -109.17     .  .  0 "[    .    1    .]" 
        53 . 1 18 THR N 1 18 THR CA 1 18 THR C  1 19 SER N   -62.33  -26.75  -46.99  -45.91  -46.12     .  .  0 "[    .    1    .]" 
        54 . 1 17 HIS C 1 18 THR N  1 18 THR CA 1 18 THR C   -71.04  -41.24  -55.42  -57.66  -52.78     .  .  0 "[    .    1    .]" 
        55 . 1 19 SER N 1 19 SER CA 1 19 SER C  1 20 THR N   -48.90  -25.10  -37.54  -42.26  -32.67     .  .  0 "[    .    1    .]" 
        56 . 1 18 THR C 1 19 SER N  1 19 SER CA 1 19 SER C   -76.27  -52.13  -62.46  -64.72  -57.66     .  .  0 "[    .    1    .]" 
        57 . 1 20 THR N 1 20 THR CA 1 20 THR C  1 21 LEU N   -58.06  -27.34  -51.35  -54.52  -48.08     .  .  0 "[    .    1    .]" 
        58 . 1 19 SER C 1 20 THR N  1 20 THR CA 1 20 THR C   -84.46  -50.44  -57.18  -56.00  -56.38     .  .  0 "[    .    1    .]" 
        59 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C  1 22 LEU N   -57.92  -35.30  -52.24  -50.36  -50.91     .  .  0 "[    .    1    .]" 
        60 . 1 20 THR C 1 21 LEU N  1 21 LEU CA 1 21 LEU C   -70.03  -51.21  -61.78  -64.12  -58.33     .  .  0 "[    .    1    .]" 
        61 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C  1 23 LEU N   -68.18  -21.38  -46.35  -45.48  -47.39     .  .  0 "[    .    1    .]" 
        62 . 1 21 LEU C 1 22 LEU N  1 22 LEU CA 1 22 LEU C   -72.89  -51.27  -53.24  -55.38  -51.06  0.21 13  0 "[    .    1    .]" 
        63 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C  1 24 ASN N   -46.86  -14.32  -28.07  -22.44  -25.39     .  .  0 "[    .    1    .]" 
        64 . 1 22 LEU C 1 23 LEU N  1 23 LEU CA 1 23 LEU C   -79.29  -51.33  -69.93  -74.80  -63.23     .  .  0 "[    .    1    .]" 
        65 . 1 24 ASN N 1 24 ASN CA 1 24 ASN C  1 25 GLY N   -39.34   40.18   11.72    4.92   18.80     .  .  0 "[    .    1    .]" 
        66 . 1 23 LEU C 1 24 ASN N  1 24 ASN CA 1 24 ASN C  -125.91  -62.73  -94.92 -100.95  -89.78     .  .  0 "[    .    1    .]" 
        67 . 1 25 GLY N 1 25 GLY CA 1 25 GLY C  1 26 TYR N    -6.94   42.52   -7.25  -12.56    1.54  5.62 15  2 "[    .    1 -  +]" 
        68 . 1 24 ASN C 1 25 GLY N  1 25 GLY CA 1 25 GLY C    60.46  101.90  102.92  100.44   98.68  4.46 14  0 "[    .    1    .]" 
        69 . 1 27 GLN N 1 27 GLN CA 1 27 GLN C  1 28 THR N   -71.69   14.03  -13.35  -12.09  -15.99     .  .  0 "[    .    1    .]" 
        70 . 1 26 TYR C 1 27 GLN N  1 27 GLN CA 1 27 GLN C  -129.12  -37.66 -104.30 -104.61 -105.47     .  .  0 "[    .    1    .]" 
        71 . 1 28 THR N 1 28 THR CA 1 28 THR C  1 29 LEU N   141.87  179.11  165.45  157.94  170.75     .  .  0 "[    .    1    .]" 
        72 . 1 27 GLN C 1 28 THR N  1 28 THR CA 1 28 THR C  -173.54  -83.86 -128.53 -133.87 -122.62     .  .  0 "[    .    1    .]" 
        73 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C  1 30 GLU N   -46.87  -31.63  -27.47  -27.10  -27.30  6.56 13  3 "[ -  .  * 1  + .]" 
        74 . 1 28 THR C 1 29 LEU N  1 29 LEU CA 1 29 LEU C   -70.37  -52.51  -67.26  -69.18  -64.83     .  .  0 "[    .    1    .]" 
        75 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C  1 31 ASP N   -50.96  -35.62  -28.60  -33.50  -24.40 11.22  8 11 "[***-*  +**  ***]" 
        76 . 1 29 LEU C 1 30 GLU N  1 30 GLU CA 1 30 GLU C   -74.96  -48.46  -68.17  -67.22  -68.23     .  .  0 "[    .    1    .]" 
        77 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C  1 32 PHE N   -51.32  -28.50  -43.17  -45.00  -45.89     .  .  0 "[    .    1    .]" 
        78 . 1 30 GLU C 1 31 ASP N  1 31 ASP CA 1 31 ASP C   -81.11  -48.73  -83.96  -90.41  -78.63  9.30 10  5 "[    .  * +-*  *]" 
        79 . 1 32 PHE N 1 32 PHE CA 1 32 PHE C  1 33 LYS N   -56.71  -25.55  -28.00  -28.99  -29.47  0.24 13  0 "[    .    1    .]" 
        80 . 1 31 ASP C 1 32 PHE N  1 32 PHE CA 1 32 PHE C   -70.15  -58.77  -64.59  -64.91  -65.46     .  .  0 "[    .    1    .]" 
        81 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C  1 34 GLU N   -55.75   -5.67   -8.08  -12.44   -4.27  1.40  8  0 "[    .    1    .]" 
        82 . 1 32 PHE C 1 33 LYS N  1 33 LYS CA 1 33 LYS C   -92.33  -44.21  -67.97  -72.73  -65.43     .  .  0 "[    .    1    .]" 
        83 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C  1 35 LEU N   -32.17   28.15    1.86   -1.26   -4.30     .  .  0 "[    .    1    .]" 
        84 . 1 33 LYS C 1 34 GLU N  1 34 GLU CA 1 34 GLU C  -116.50  -82.24 -103.19  -96.89 -100.02     .  .  0 "[    .    1    .]" 
        85 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C  1 36 ARG N   123.12  152.44  124.64  115.53  132.26  7.59 12  2 "[    .    1 + -.]" 
        86 . 1 34 GLU C 1 35 LEU N  1 35 LEU CA 1 35 LEU C   -85.86  -53.46  -72.88  -75.48  -67.53     .  .  0 "[    .    1    .]" 
        87 . 1 36 ARG N 1 36 ARG CA 1 36 ARG C  1 37 GLU N   145.73 -175.43  166.98  162.12  174.68     .  .  0 "[    .    1    .]" 
        88 . 1 35 LEU C 1 36 ARG N  1 36 ARG CA 1 36 ARG C  -149.37  -73.27 -125.95 -122.69 -124.59     .  .  0 "[    .    1    .]" 
        89 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C  1 38 THR N   -53.66  -31.86  -41.38  -37.49  -39.09     .  .  0 "[    .    1    .]" 
        90 . 1 36 ARG C 1 37 GLU N  1 37 GLU CA 1 37 GLU C   -67.89  -44.53  -62.42  -67.98  -53.97  0.09  8  0 "[    .    1    .]" 
        91 . 1 38 THR N 1 38 THR CA 1 38 THR C  1 39 HIS N   -58.55   -7.71  -27.88  -32.60  -23.62     .  .  0 "[    .    1    .]" 
        92 . 1 37 GLU C 1 38 THR N  1 38 THR CA 1 38 THR C   -73.88  -54.26  -59.03  -62.14  -56.44     .  .  0 "[    .    1    .]" 
        93 . 1 39 HIS N 1 39 HIS CA 1 39 HIS C  1 40 LEU N   -61.42  -25.94  -36.16  -36.80  -39.77     .  .  0 "[    .    1    .]" 
        94 . 1 38 THR C 1 39 HIS N  1 39 HIS CA 1 39 HIS C   -71.57  -57.29  -76.78  -77.89  -79.03  7.50  1  8 "[+**-. *  *   **]" 
        95 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C  1 41 ASN N   -53.94  -26.96  -33.12  -38.21  -26.64  0.32 15  0 "[    .    1    .]" 
        96 . 1 39 HIS C 1 40 LEU N  1 40 LEU CA 1 40 LEU C   -70.89  -53.43  -63.64  -71.07  -57.98  0.18 15  0 "[    .    1    .]" 
        97 . 1 41 ASN N 1 41 ASN CA 1 41 ASN C  1 42 GLU N   -53.12  -22.18  -37.60  -36.79  -38.48     .  .  0 "[    .    1    .]" 
        98 . 1 40 LEU C 1 41 ASN N  1 41 ASN CA 1 41 ASN C   -75.48  -55.34  -58.50  -55.59  -56.49  0.11 11  0 "[    .    1    .]" 
        99 . 1 42 GLU N 1 42 GLU CA 1 42 GLU C  1 43 LEU N   -49.60   -3.26  -36.83  -39.89  -41.06     .  .  0 "[    .    1    .]" 
       100 . 1 41 ASN C 1 42 GLU N  1 42 GLU CA 1 42 GLU C   -76.06  -53.82  -75.33  -79.59  -70.87  3.53 11  0 "[    .    1    .]" 
       101 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C  1 44 ASN N    -7.22   15.30   -3.96   -4.54   -5.58  1.56  7  0 "[    .    1    .]" 
       102 . 1 42 GLU C 1 43 LEU N  1 43 LEU CA 1 43 LEU C  -107.61  -78.41  -78.16  -82.47  -73.68  4.73  1  0 "[    .    1    .]" 
       103 . 1 44 ASN N 1 44 ASN CA 1 44 ASN C  1 45 ILE N    15.64   58.48   24.93   14.56   32.29  1.08 10  0 "[    .    1    .]" 
       104 . 1 43 LEU C 1 44 ASN N  1 44 ASN CA 1 44 ASN C    29.83   97.71   68.03   68.77   67.77     .  .  0 "[    .    1    .]" 
       105 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C  1 46 MET N   -62.39   56.27   79.58   72.59   87.70 31.43  6 15  [**-**+*********]  
       106 . 1 44 ASN C 1 45 ILE N  1 45 ILE CA 1 45 ILE C  -146.82  -55.36  -91.02  -91.75  -93.32     .  .  0 "[    .    1    .]" 
       107 . 1 47 ASP N 1 47 ASP CA 1 47 ASP C  1 48 PRO N    78.07 -176.77  106.27  104.95  102.92     .  .  0 "[    .    1    .]" 
       108 . 1 46 MET C 1 47 ASP N  1 47 ASP CA 1 47 ASP C  -142.91  -17.39  -61.22  -58.15  -58.87     .  .  0 "[    .    1    .]" 
       109 . 1 48 PRO N 1 48 PRO CA 1 48 PRO C  1 49 GLN N   -50.55  -20.01  -51.25  -52.08  -54.97  5.90  1  2 "[+   .    1   -.]" 
       110 . 1 47 ASP C 1 48 PRO N  1 48 PRO CA 1 48 PRO C   -68.31  -38.33  -57.26  -61.97  -50.03     .  .  0 "[    .    1    .]" 
       111 . 1 49 GLN N 1 49 GLN CA 1 49 GLN C  1 50 HIS N   -55.00  -19.82  -36.17  -39.25  -32.14     .  .  0 "[    .    1    .]" 
       112 . 1 48 PRO C 1 49 GLN N  1 49 GLN CA 1 49 GLN C   -70.24  -60.84  -69.15  -70.14  -71.25  2.33  1  0 "[    .    1    .]" 
       113 . 1 50 HIS N 1 50 HIS CA 1 50 HIS C  1 51 ARG N   -55.31  -34.31  -39.82  -40.01  -40.72     .  .  0 "[    .    1    .]" 
       114 . 1 49 GLN C 1 50 HIS N  1 50 HIS CA 1 50 HIS C   -70.71  -53.57  -66.65  -68.92  -64.34     .  .  0 "[    .    1    .]" 
       115 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C  1 52 ALA N   -55.29  -30.57  -55.04  -55.62  -56.36  2.42 12  0 "[    .    1    .]" 
       116 . 1 50 HIS C 1 51 ARG N  1 51 ARG CA 1 51 ARG C   -72.04  -49.90  -56.09  -57.87  -53.29     .  .  0 "[    .    1    .]" 
       117 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C  1 53 LYS N   -57.71  -23.43  -42.64  -44.49  -40.75     .  .  0 "[    .    1    .]" 
       118 . 1 51 ARG C 1 52 ALA N  1 52 ALA CA 1 52 ALA C   -75.06  -47.84  -52.07  -50.45  -51.13     .  .  0 "[    .    1    .]" 
       119 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C  1 54 LEU N   -55.34  -37.42  -51.89  -51.83  -52.72     .  .  0 "[    .    1    .]" 
       120 . 1 52 ALA C 1 53 LYS N  1 53 LYS CA 1 53 LYS C   -70.62  -52.86  -66.67  -68.71  -64.76     .  .  0 "[    .    1    .]" 
       121 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C  1 55 LEU N   -58.42  -28.96  -45.08  -45.51  -45.69     .  .  0 "[    .    1    .]" 
       122 . 1 53 LYS C 1 54 LEU N  1 54 LEU CA 1 54 LEU C   -74.34  -49.04  -54.73  -56.00  -53.11     .  .  0 "[    .    1    .]" 
       123 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C  1 56 THR N   -53.20  -20.08  -43.64  -36.71  -40.67     .  .  0 "[    .    1    .]" 
       124 . 1 54 LEU C 1 55 LEU N  1 55 LEU CA 1 55 LEU C   -71.45  -53.57  -64.60  -68.69  -61.11     .  .  0 "[    .    1    .]" 
       125 . 1 56 THR N 1 56 THR CA 1 56 THR C  1 57 ALA N   -50.96  -34.12  -40.47  -40.55  -40.82     .  .  0 "[    .    1    .]" 
       126 . 1 55 LEU C 1 56 THR N  1 56 THR CA 1 56 THR C   -71.44  -58.42  -62.79  -67.88  -59.90     .  .  0 "[    .    1    .]" 
       127 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C  1 58 ALA N   -52.24  -34.34  -46.00  -48.72  -43.51     .  .  0 "[    .    1    .]" 
       128 . 1 56 THR C 1 57 ALA N  1 57 ALA CA 1 57 ALA C   -71.39  -54.95  -60.65  -62.43  -58.88     .  .  0 "[    .    1    .]" 
       129 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C  1 59 GLU N   -54.90  -33.40  -41.41  -45.59  -38.28     .  .  0 "[    .    1    .]" 
       130 . 1 57 ALA C 1 58 ALA N  1 58 ALA CA 1 58 ALA C   -68.40  -52.38  -61.33  -60.17  -61.73     .  .  0 "[    .    1    .]" 
       131 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C  1 60 LEU N   -54.01  -28.79  -53.03  -49.81  -52.66  1.35 11  0 "[    .    1    .]" 
       132 . 1 58 ALA C 1 59 GLU N  1 59 GLU CA 1 59 GLU C   -76.10  -47.82  -57.89  -60.51  -56.31     .  .  0 "[    .    1    .]" 
       133 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C  1 61 LEU N   -55.98  -24.66  -37.60  -35.36  -38.76  2.71  4  0 "[    .    1    .]" 
       134 . 1 59 GLU C 1 60 LEU N  1 60 LEU CA 1 60 LEU C   -73.14  -50.14  -69.81  -74.09  -65.31  0.95  4  0 "[    .    1    .]" 
       135 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C  1 62 LEU N   -53.29  -17.71  -24.88  -29.51  -20.75     .  .  0 "[    .    1    .]" 
       136 . 1 60 LEU C 1 61 LEU N  1 61 LEU CA 1 61 LEU C   -84.24  -51.82  -64.78  -74.03  -56.77     .  .  0 "[    .    1    .]" 
       137 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C  1 63 ASP N   -52.69   -9.43  -34.18  -43.67  -26.90     .  .  0 "[    .    1    .]" 
       138 . 1 61 LEU C 1 62 LEU N  1 62 LEU CA 1 62 LEU C   -73.88  -54.08  -70.53  -76.14  -56.04  2.26 13  0 "[    .    1    .]" 
       139 . 1 63 ASP N 1 63 ASP CA 1 63 ASP C  1 64 TYR N   -61.17   19.45  -38.58  -37.64  -37.67     .  .  0 "[    .    1    .]" 
       140 . 1 62 LEU C 1 63 ASP N  1 63 ASP CA 1 63 ASP C  -103.78  -44.30 -104.02 -108.41 -110.02  9.63  3  3 "[* + .    1-   .]" 
       141 . 1 64 TYR N 1 64 TYR CA 1 64 TYR C  1 65 ASP N   -64.93   47.01   45.26   47.91   44.79  5.89  4  2 "[ - +.    1    .]" 
       142 . 1 63 ASP C 1 64 TYR N  1 64 TYR CA 1 64 TYR C  -130.26  -58.02 -100.87  -99.69 -100.01     .  .  0 "[    .    1    .]" 
    stop_

save_



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