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
606066 2nbz 25998 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2nbz


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              229
    _TA_constraint_stats_list.Viol_count                    23
    _TA_constraint_stats_list.Viol_total                    2331.01
    _TA_constraint_stats_list.Viol_max                      37.49
    _TA_constraint_stats_list.Viol_rms                      1.36
    _TA_constraint_stats_list.Viol_average_all_restraints   0.10
    _TA_constraint_stats_list.Viol_average_violations_only  10.13
    _TA_constraint_stats_list.Cutoff_violation_report       5.00
    _TA_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * ID of the restraint list.                                                                 
*  3 * Number of restraints in list.                                                             
*  4 * Number of violated restraints (each model violation is used).                             
*  5 * Sum of violations in degrees.                                                             
*  6 * Maximum violation of a restraint without averaging in any way.                            
*  7 * Rms of violations over all restraints.                                                    
*  8 *  Average violation over all restraints.                                                   
*  9 *  Average violation over violated restraints.                                              
            This violation is averaged over only those models in which the restraint is violated.
            Threshold for reporting violations (degrees) in the last columns of the next table.     
*  10 * This tag.                                                                                

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

;


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

         1 . 1  1 G C4' 1  1 G C3' 1  1 G O3' 1  2 G P    150.00 -110.00 -155.78 -156.03 -156.29     . .  0 "[    .    1]" 
         2 . 1  1 G C3' 1  1 G O3' 1  2 G P   1  2 G O5' -120.00  -20.00  -66.64  -66.27  -66.90     . .  0 "[    .    1]" 
         3 . 1  1 G C5' 1  1 G C4' 1  1 G C3' 1  1 G O3'   60.00  100.00   83.31   83.12   83.04     . .  0 "[    .    1]" 
         4 . 1  1 G O4' 1  1 G C1' 1  1 G N9  1  1 G C4   120.00  -60.00 -163.57 -164.00 -163.10     . .  0 "[    .    1]" 
         5 . 1  1 G O5' 1  1 G C5' 1  1 G C4' 1  1 G C3'   30.00   90.00   53.66   53.27   54.02     . .  0 "[    .    1]" 
         6 . 1  1 G O3' 1  2 G P   1  2 G O5' 1  2 G C5' -100.00  -20.00  -64.57  -65.64  -65.66     . .  0 "[    .    1]" 
         7 . 1  2 G P   1  2 G O5' 1  2 G C5' 1  2 G C4'  130.00 -130.00  176.02  178.28  178.20     . .  0 "[    .    1]" 
         8 . 1  2 G C4' 1  2 G C3' 1  2 G O3' 1  3 G P    150.00 -110.00 -157.04 -157.00 -157.21     . .  0 "[    .    1]" 
         9 . 1  2 G C3' 1  2 G O3' 1  3 G P   1  3 G O5' -120.00  -20.00  -68.17  -67.95  -67.95     . .  0 "[    .    1]" 
        10 . 1  2 G C5' 1  2 G C4' 1  2 G C3' 1  2 G O3'   60.00  100.00   81.61   81.90   81.74     . .  0 "[    .    1]" 
        11 . 1  2 G O4' 1  2 G C1' 1  2 G N9  1  2 G C4   120.00  -60.00 -163.81 -164.05 -163.58     . .  0 "[    .    1]" 
        12 . 1  2 G O5' 1  2 G C5' 1  2 G C4' 1  2 G C3'   30.00   90.00   53.23   53.10   52.90     . .  0 "[    .    1]" 
        13 . 1  2 G O3' 1  3 G P   1  3 G O5' 1  3 G C5' -100.00  -20.00  -64.68  -64.93  -64.39     . .  0 "[    .    1]" 
        14 . 1  3 G P   1  3 G O5' 1  3 G C5' 1  3 G C4'  130.00 -130.00  178.70  178.65  178.62     . .  0 "[    .    1]" 
        15 . 1  3 G C4' 1  3 G C3' 1  3 G O3' 1  4 C P    150.00 -110.00 -156.88 -157.21 -156.57     . .  0 "[    .    1]" 
        16 . 1  3 G C3' 1  3 G O3' 1  4 C P   1  4 C O5' -120.00  -20.00  -71.65  -71.55  -71.73     . .  0 "[    .    1]" 
        17 . 1  3 G C5' 1  3 G C4' 1  3 G C3' 1  3 G O3'   60.00  100.00   81.21   81.24   81.21     . .  0 "[    .    1]" 
        18 . 1  3 G O4' 1  3 G C1' 1  3 G N9  1  3 G C4   120.00  -60.00 -162.40 -162.55 -162.71     . .  0 "[    .    1]" 
        19 . 1  3 G O5' 1  3 G C5' 1  3 G C4' 1  3 G C3'   30.00   90.00   52.64   52.66   52.64     . .  0 "[    .    1]" 
        20 . 1  3 G O3' 1  4 C P   1  4 C O5' 1  4 C C5' -100.00  -20.00  -63.19  -63.15  -63.21     . .  0 "[    .    1]" 
        21 . 1  4 C P   1  4 C O5' 1  4 C C5' 1  4 C C4'  130.00 -130.00  173.30  172.97  173.84     . .  0 "[    .    1]" 
        22 . 1  4 C C4' 1  4 C C3' 1  4 C O3' 1  5 U P    150.00 -110.00 -156.77 -157.38 -156.19     . .  0 "[    .    1]" 
        23 . 1  4 C C3' 1  4 C O3' 1  5 U P   1  5 U O5' -120.00  -20.00  -70.91  -70.79  -71.48     . .  0 "[    .    1]" 
        24 . 1  4 C C5' 1  4 C C4' 1  4 C C3' 1  4 C O3'   60.00  100.00   81.46   81.38   81.38     . .  0 "[    .    1]" 
        25 . 1  4 C O4' 1  4 C C1' 1  4 C N1  1  4 C C4   120.00  -60.00 -172.08 -177.70  177.86     . .  0 "[    .    1]" 
        26 . 1  4 C O5' 1  4 C C5' 1  4 C C4' 1  4 C C3'   30.00   90.00   53.51   53.29   53.18     . .  0 "[    .    1]" 
        27 . 1  4 C O3' 1  5 U P   1  5 U O5' 1  5 U C5' -100.00  -20.00  -65.60  -66.46  -64.52     . .  0 "[    .    1]" 
        28 . 1  5 U P   1  5 U O5' 1  5 U C5' 1  5 U C4'  130.00 -130.00  176.91  177.73  175.09     . .  0 "[    .    1]" 
        29 . 1  5 U C4' 1  5 U C3' 1  5 U O3' 1  6 C P    150.00 -110.00 -155.99 -156.33 -155.39     . .  0 "[    .    1]" 
        30 . 1  5 U C3' 1  5 U O3' 1  6 C P   1  6 C O5' -120.00  -20.00  -72.37  -72.73  -73.03     . .  0 "[    .    1]" 
        31 . 1  5 U C5' 1  5 U C4' 1  5 U C3' 1  5 U O3'   60.00  100.00   81.26   81.32   81.20     . .  0 "[    .    1]" 
        32 . 1  5 U O4' 1  5 U C1' 1  5 U N1  1  5 U C4   120.00  -60.00  175.47  155.61 -173.40     . .  0 "[    .    1]" 
        33 . 1  5 U O5' 1  5 U C5' 1  5 U C4' 1  5 U C3'   30.00   90.00   52.47   51.81   53.02     . .  0 "[    .    1]" 
        34 . 1  5 U O3' 1  6 C P   1  6 C O5' 1  6 C C5' -100.00  -20.00  -66.08  -68.90  -65.39     . .  0 "[    .    1]" 
        35 . 1  6 C P   1  6 C O5' 1  6 C C5' 1  6 C C4'  130.00 -130.00  174.19  173.75  173.69     . .  0 "[    .    1]" 
        36 . 1  6 C C4' 1  6 C C3' 1  6 C O3' 1  7 G P    150.00 -110.00 -156.00 -156.82 -155.24     . .  0 "[    .    1]" 
        37 . 1  6 C C3' 1  6 C O3' 1  7 G P   1  7 G O5' -120.00  -20.00  -72.37  -73.40  -71.27     . .  0 "[    .    1]" 
        38 . 1  6 C C5' 1  6 C C4' 1  6 C C3' 1  6 C O3'   60.00  100.00   81.28   81.08   81.55     . .  0 "[    .    1]" 
        39 . 1  6 C O4' 1  6 C C1' 1  6 C N1  1  6 C C4   120.00  -60.00  178.41  173.79  172.76     . .  0 "[    .    1]" 
        40 . 1  6 C O5' 1  6 C C5' 1  6 C C4' 1  6 C C3'   30.00   90.00   52.54   51.90   53.12     . .  0 "[    .    1]" 
        41 . 1  6 C O3' 1  7 G P   1  7 G O5' 1  7 G C5' -100.00  -20.00  -65.59  -65.61  -65.76     . .  0 "[    .    1]" 
        42 . 1  7 G P   1  7 G O5' 1  7 G C5' 1  7 G C4'  130.00 -130.00  174.46  173.05  178.34     . .  0 "[    .    1]" 
        43 . 1  7 G C4' 1  7 G C3' 1  7 G O3' 1  8 G P    150.00 -110.00 -158.56 -159.40 -157.96     . .  0 "[    .    1]" 
        44 . 1  7 G C3' 1  7 G O3' 1  8 G P   1  8 G O5' -120.00  -20.00  -77.34  -78.06  -74.99     . .  0 "[    .    1]" 
        45 . 1  7 G C5' 1  7 G C4' 1  7 G C3' 1  7 G O3'   60.00  100.00   81.13   81.21   81.20     . .  0 "[    .    1]" 
        46 . 1  7 G O4' 1  7 G C1' 1  7 G N9  1  7 G C4   120.00  -60.00 -163.04 -163.48 -162.23     . .  0 "[    .    1]" 
        47 . 1  7 G O5' 1  7 G C5' 1  7 G C4' 1  7 G C3'   30.00   90.00   52.56   51.93   52.94     . .  0 "[    .    1]" 
        48 . 1  7 G O3' 1  8 G P   1  8 G O5' 1  8 G C5' -100.00  -20.00  -63.25  -63.06  -63.20     . .  0 "[    .    1]" 
        49 . 1  8 G P   1  8 G O5' 1  8 G C5' 1  8 G C4'  130.00 -130.00  170.54  169.66  172.52     . .  0 "[    .    1]" 
        50 . 1  8 G C5' 1  8 G C4' 1  8 G C3' 1  8 G O3'   60.00  100.00   81.96   82.17   82.05     . .  0 "[    .    1]" 
        51 . 1  8 G O4' 1  8 G C1' 1  8 G N9  1  8 G C4   120.00  -60.00 -163.19 -164.41 -160.78     . .  0 "[    .    1]" 
        52 . 1  8 G O5' 1  8 G C5' 1  8 G C4' 1  8 G C3'   30.00   90.00   54.27   54.53   54.37     . .  0 "[    .    1]" 
        53 . 1  9 U O3' 1 10 G P   1 10 G O5' 1 10 G C5' -100.00  -20.00  -60.66  -62.58  -62.97     . .  0 "[    .    1]" 
        54 . 1 10 G P   1 10 G O5' 1 10 G C5' 1 10 G C4'  130.00 -130.00 -175.68 -174.80 -174.88     . .  0 "[    .    1]" 
        55 . 1 10 G C4' 1 10 G C3' 1 10 G O3' 1 11 C P    150.00 -110.00 -155.01 -154.41 -154.57     . .  0 "[    .    1]" 
        56 . 1 10 G C3' 1 10 G O3' 1 11 C P   1 11 C O5' -120.00  -20.00  -65.25  -65.35  -65.64     . .  0 "[    .    1]" 
        57 . 1 10 G C5' 1 10 G C4' 1 10 G C3' 1 10 G O3'   60.00  100.00   85.07   84.68   84.33     . .  0 "[    .    1]" 
        58 . 1 10 G O4' 1 10 G C1' 1 10 G N9  1 10 G C4   120.00  -60.00 -164.57 -167.16 -162.32     . .  0 "[    .    1]" 
        59 . 1 10 G O5' 1 10 G C5' 1 10 G C4' 1 10 G C3'   30.00   90.00   57.30   55.01   54.80     . .  0 "[    .    1]" 
        60 . 1 10 G O3' 1 11 C P   1 11 C O5' 1 11 C C5' -100.00  -20.00  -63.00  -64.23  -64.35     . .  0 "[    .    1]" 
        61 . 1 11 C P   1 11 C O5' 1 11 C C5' 1 11 C C4'  130.00 -130.00  173.17  172.21  174.49     . .  0 "[    .    1]" 
        62 . 1 11 C C4' 1 11 C C3' 1 11 C O3' 1 12 A P    150.00 -110.00 -154.43 -155.48 -153.43     . .  0 "[    .    1]" 
        63 . 1 11 C C3' 1 11 C O3' 1 12 A P   1 12 A O5' -120.00  -20.00  -65.69  -65.47  -65.63     . .  0 "[    .    1]" 
        64 . 1 11 C C5' 1 11 C C4' 1 11 C C3' 1 11 C O3'   60.00  100.00   82.41   82.74   82.55     . .  0 "[    .    1]" 
        65 . 1 11 C O4' 1 11 C C1' 1 11 C N1  1 11 C C4   120.00  -60.00 -178.25  165.98 -163.90     . .  0 "[    .    1]" 
        66 . 1 11 C O5' 1 11 C C5' 1 11 C C4' 1 11 C C3'   30.00   90.00   54.38   54.08   53.95     . .  0 "[    .    1]" 
        67 . 1 11 C O3' 1 12 A P   1 12 A O5' 1 12 A C5' -100.00  -20.00  -65.63  -65.94  -65.98     . .  0 "[    .    1]" 
        68 . 1 12 A P   1 12 A O5' 1 12 A C5' 1 12 A C4'  130.00 -130.00  179.51  178.80 -179.98     . .  0 "[    .    1]" 
        69 . 1 12 A C4' 1 12 A C3' 1 12 A O3' 1 13 C P    150.00 -110.00 -155.89 -156.38 -155.18     . .  0 "[    .    1]" 
        70 . 1 12 A C3' 1 12 A O3' 1 13 C P   1 13 C O5' -120.00  -20.00  -70.23  -69.97  -70.06     . .  0 "[    .    1]" 
        71 . 1 12 A C5' 1 12 A C4' 1 12 A C3' 1 12 A O3'   60.00  100.00   81.69   81.84   81.71     . .  0 "[    .    1]" 
        72 . 1 12 A O4' 1 12 A C1' 1 12 A N9  1 12 A C4   120.00  -60.00 -161.33 -162.10 -159.10     . .  0 "[    .    1]" 
        73 . 1 12 A O5' 1 12 A C5' 1 12 A C4' 1 12 A C3'   30.00   90.00   52.73   52.30   53.14     . .  0 "[    .    1]" 
        74 . 1 12 A O3' 1 13 C P   1 13 C O5' 1 13 C C5' -100.00  -20.00  -64.19  -63.99  -64.23     . .  0 "[    .    1]" 
        75 . 1 13 C P   1 13 C O5' 1 13 C C5' 1 13 C C4'  130.00 -130.00  173.14  172.67  173.47     . .  0 "[    .    1]" 
        76 . 1 13 C C4' 1 13 C C3' 1 13 C O3' 1 14 A P    150.00 -110.00 -155.88 -156.26 -154.88     . .  0 "[    .    1]" 
        77 . 1 13 C C3' 1 13 C O3' 1 14 A P   1 14 A O5' -120.00  -20.00  -68.53  -68.37  -68.70     . .  0 "[    .    1]" 
        78 . 1 13 C C5' 1 13 C C4' 1 13 C C3' 1 13 C O3'   60.00  100.00   81.69   81.62   81.60     . .  0 "[    .    1]" 
        79 . 1 13 C O4' 1 13 C C1' 1 13 C N1  1 13 C C4   120.00  -60.00 -174.59 -171.79 -173.90     . .  0 "[    .    1]" 
        80 . 1 13 C O5' 1 13 C C5' 1 13 C C4' 1 13 C C3'   30.00   90.00   53.41   53.42   53.31     . .  0 "[    .    1]" 
        81 . 1 13 C O3' 1 14 A P   1 14 A O5' 1 14 A C5' -100.00  -20.00  -66.46  -66.39  -66.44     . .  0 "[    .    1]" 
        82 . 1 14 A P   1 14 A O5' 1 14 A C5' 1 14 A C4'  130.00 -130.00  178.99  178.86  178.80     . .  0 "[    .    1]" 
        83 . 1 14 A C4' 1 14 A C3' 1 14 A O3' 1 15 U P    150.00 -110.00 -153.99 -155.01 -153.42     . .  0 "[    .    1]" 
        84 . 1 14 A C3' 1 14 A O3' 1 15 U P   1 15 U O5' -120.00  -20.00  -68.15  -68.39  -68.49     . .  0 "[    .    1]" 
        85 . 1 14 A C5' 1 14 A C4' 1 14 A C3' 1 14 A O3'   60.00  100.00   81.03   80.88   81.27     . .  0 "[    .    1]" 
        86 . 1 14 A O4' 1 14 A C1' 1 14 A N9  1 14 A C4   120.00  -60.00 -157.87 -157.98 -158.17     . .  0 "[    .    1]" 
        87 . 1 14 A O5' 1 14 A C5' 1 14 A C4' 1 14 A C3'   30.00   90.00   51.41   51.06   51.77     . .  0 "[    .    1]" 
        88 . 1 14 A O3' 1 15 U P   1 15 U O5' 1 15 U C5' -100.00  -20.00  -70.61  -69.74  -70.13     . .  0 "[    .    1]" 
        89 . 1 15 U P   1 15 U O5' 1 15 U C5' 1 15 U C4'  130.00 -130.00 -179.64  179.90  179.64     . .  0 "[    .    1]" 
        90 . 1 15 U C4' 1 15 U C3' 1 15 U O3' 1 16 G P    150.00 -110.00 -154.46 -155.06 -153.54     . .  0 "[    .    1]" 
        91 . 1 15 U C3' 1 15 U O3' 1 16 G P   1 16 G O5' -120.00  -20.00  -74.13  -74.80  -75.98     . .  0 "[    .    1]" 
        92 . 1 15 U C5' 1 15 U C4' 1 15 U C3' 1 15 U O3'   60.00  100.00   80.15   80.10   80.06     . .  0 "[    .    1]" 
        93 . 1 15 U O4' 1 15 U C1' 1 15 U N1  1 15 U C4   120.00  -60.00  136.52  114.98  150.90  5.02 3  1 "[  + .    1]" 
        94 . 1 15 U O5' 1 15 U C5' 1 15 U C4' 1 15 U C3'   30.00   90.00   50.26   49.59   51.70     . .  0 "[    .    1]" 
        95 . 1 15 U O3' 1 16 G P   1 16 G O5' 1 16 G C5' -100.00  -20.00  -64.71  -65.32  -64.06     . .  0 "[    .    1]" 
        96 . 1 16 G P   1 16 G O5' 1 16 G C5' 1 16 G C4'  130.00 -130.00  170.52  170.35  169.87     . .  0 "[    .    1]" 
        97 . 1 16 G C4' 1 16 G C3' 1 16 G O3' 1 17 C P    150.00 -110.00 -155.40 -154.80 -154.83     . .  0 "[    .    1]" 
        98 . 1 16 G C3' 1 16 G O3' 1 17 C P   1 17 C O5' -120.00  -20.00  -74.89  -77.23  -72.73     . .  0 "[    .    1]" 
        99 . 1 16 G C5' 1 16 G C4' 1 16 G C3' 1 16 G O3'   60.00  100.00   80.45   80.06   80.75     . .  0 "[    .    1]" 
       100 . 1 16 G O4' 1 16 G C1' 1 16 G N9  1 16 G C4   120.00  -60.00 -157.25 -157.03 -157.56     . .  0 "[    .    1]" 
       101 . 1 16 G O5' 1 16 G C5' 1 16 G C4' 1 16 G C3'   30.00   90.00   53.43   53.10   53.84     . .  0 "[    .    1]" 
       102 . 1 16 G O3' 1 17 C P   1 17 C O5' 1 17 C C5' -100.00  -20.00  -62.57  -62.53  -62.59     . .  0 "[    .    1]" 
       103 . 1 17 C P   1 17 C O5' 1 17 C C5' 1 17 C C4'  130.00 -130.00  162.22  160.61  165.64     . .  0 "[    .    1]" 
       104 . 1 17 C C5' 1 17 C C4' 1 17 C C3' 1 17 C O3'   60.00  100.00   81.93   81.48   82.64     . .  0 "[    .    1]" 
       105 . 1 17 C O4' 1 17 C C1' 1 17 C N1  1 17 C C4   120.00  -60.00 -145.71 -140.13 -151.80     . .  0 "[    .    1]" 
       106 . 1 17 C O5' 1 17 C C5' 1 17 C C4' 1 17 C C3'   30.00   90.00   56.31   55.95   56.70     . .  0 "[    .    1]" 
       107 . 1 20 U O3' 1 21 A P   1 21 A O5' 1 21 A C5' -100.00  -20.00  -78.97  -76.96  -77.18     . .  0 "[    .    1]" 
       108 . 1 21 A P   1 21 A O5' 1 21 A C5' 1 21 A C4'  130.00 -130.00  164.77  163.27  162.08     . .  0 "[    .    1]" 
       109 . 1 21 A C4' 1 21 A C3' 1 21 A O3' 1 22 C P    150.00 -110.00 -149.64 -149.13 -149.37     . .  0 "[    .    1]" 
       110 . 1 21 A C3' 1 21 A O3' 1 22 C P   1 22 C O5' -120.00  -20.00  -45.11  -44.87  -45.41     . .  0 "[    .    1]" 
       111 . 1 21 A C5' 1 21 A C4' 1 21 A C3' 1 21 A O3'   60.00  100.00   94.39   95.46   95.07     . .  0 "[    .    1]" 
       112 . 1 21 A O4' 1 21 A C1' 1 21 A N1  1 21 A C4   120.00  -60.00  107.16  108.38  107.56 14.07 4 10  [***+**-***]  
       113 . 1 21 A O5' 1 21 A C5' 1 21 A C4' 1 21 A C3'   30.00   90.00   89.21   79.25   91.50  1.50 7  0 "[    .    1]" 
       114 . 1 21 A O3' 1 22 C P   1 22 C O5' 1 22 C C5' -100.00  -20.00  -63.29  -64.49  -61.39     . .  0 "[    .    1]" 
       115 . 1 22 C P   1 22 C O5' 1 22 C C5' 1 22 C C4'  130.00 -130.00  169.48  168.28  170.82     . .  0 "[    .    1]" 
       116 . 1 22 C C4' 1 22 C C3' 1 22 C O3' 1 23 A P    150.00 -110.00 -160.15 -162.24 -158.73     . .  0 "[    .    1]" 
       117 . 1 22 C C3' 1 22 C O3' 1 23 A P   1 23 A O5' -120.00  -20.00  -77.33  -78.19  -76.24     . .  0 "[    .    1]" 
       118 . 1 22 C C5' 1 22 C C4' 1 22 C C3' 1 22 C O3'   60.00  100.00   78.83   78.35   79.06     . .  0 "[    .    1]" 
       119 . 1 22 C O4' 1 22 C C1' 1 22 C N1  1 22 C C4   120.00  -60.00 -177.66 -177.75  178.99     . .  0 "[    .    1]" 
       120 . 1 22 C O5' 1 22 C C5' 1 22 C C4' 1 22 C C3'   30.00   90.00   53.51   53.71   53.44     . .  0 "[    .    1]" 
       121 . 1 22 C O3' 1 23 A P   1 23 A O5' 1 23 A C5' -100.00  -20.00  -65.34  -65.32  -65.57     . .  0 "[    .    1]" 
       122 . 1 23 A P   1 23 A O5' 1 23 A C5' 1 23 A C4'  130.00 -130.00  172.05  171.45  172.90     . .  0 "[    .    1]" 
       123 . 1 23 A C4' 1 23 A C3' 1 23 A O3' 1 24 U P    150.00 -110.00 -157.91 -157.58 -157.70     . .  0 "[    .    1]" 
       124 . 1 23 A C3' 1 23 A O3' 1 24 U P   1 24 U O5' -120.00  -20.00  -72.37  -73.12  -71.52     . .  0 "[    .    1]" 
       125 . 1 23 A C5' 1 23 A C4' 1 23 A C3' 1 23 A O3'   60.00  100.00   80.11   79.76   80.33     . .  0 "[    .    1]" 
       126 . 1 23 A O4' 1 23 A C1' 1 23 A N9  1 23 A C4   120.00  -60.00 -163.18 -163.31 -163.70     . .  0 "[    .    1]" 
       127 . 1 23 A O5' 1 23 A C5' 1 23 A C4' 1 23 A C3'   30.00   90.00   52.22   51.77   52.79     . .  0 "[    .    1]" 
       128 . 1 23 A O3' 1 24 U P   1 24 U O5' 1 24 U C5' -100.00  -20.00  -64.71  -64.98  -64.17     . .  0 "[    .    1]" 
       129 . 1 24 U P   1 24 U O5' 1 24 U C5' 1 24 U C4'  130.00 -130.00  173.06  172.26  173.91     . .  0 "[    .    1]" 
       130 . 1 24 U C4' 1 24 U C3' 1 24 U O3' 1 25 G P    150.00 -110.00 -156.96 -157.68 -156.05     . .  0 "[    .    1]" 
       131 . 1 24 U C3' 1 24 U O3' 1 25 G P   1 25 G O5' -120.00  -20.00  -71.94  -72.80  -71.47     . .  0 "[    .    1]" 
       132 . 1 24 U C5' 1 24 U C4' 1 24 U C3' 1 24 U O3'   60.00  100.00   80.82   80.64   81.09     . .  0 "[    .    1]" 
       133 . 1 24 U O4' 1 24 U C1' 1 24 U N1  1 24 U C4   120.00  -60.00  174.08  155.44 -162.60     . .  0 "[    .    1]" 
       134 . 1 24 U O5' 1 24 U C5' 1 24 U C4' 1 24 U C3'   30.00   90.00   52.78   52.03   53.17     . .  0 "[    .    1]" 
       135 . 1 24 U O3' 1 25 G P   1 25 G O5' 1 25 G C5' -100.00  -20.00  -64.99  -65.08  -65.55     . .  0 "[    .    1]" 
       136 . 1 25 G P   1 25 G O5' 1 25 G C5' 1 25 G C4'  130.00 -130.00  173.57  172.82  174.12     . .  0 "[    .    1]" 
       137 . 1 25 G C4' 1 25 G C3' 1 25 G O3' 1 26 U P    150.00 -110.00 -156.72 -157.47 -156.00     . .  0 "[    .    1]" 
       138 . 1 25 G C3' 1 25 G O3' 1 26 U P   1 26 U O5' -120.00  -20.00  -71.01  -71.10  -71.30     . .  0 "[    .    1]" 
       139 . 1 25 G C5' 1 25 G C4' 1 25 G C3' 1 25 G O3'   60.00  100.00   81.13   81.20   81.09     . .  0 "[    .    1]" 
       140 . 1 25 G O4' 1 25 G C1' 1 25 G N9  1 25 G C4   120.00  -60.00 -162.63 -162.85 -162.42     . .  0 "[    .    1]" 
       141 . 1 25 G O5' 1 25 G C5' 1 25 G C4' 1 25 G C3'   30.00   90.00   52.60   52.49   52.20     . .  0 "[    .    1]" 
       142 . 1 25 G O3' 1 26 U P   1 26 U O5' 1 26 U C5' -100.00  -20.00  -63.12  -63.72  -62.53     . .  0 "[    .    1]" 
       143 . 1 26 U P   1 26 U O5' 1 26 U C5' 1 26 U C4'  130.00 -130.00  172.98  173.05  172.87     . .  0 "[    .    1]" 
       144 . 1 26 U C4' 1 26 U C3' 1 26 U O3' 1 27 G P    150.00 -110.00 -157.63 -157.67 -157.95     . .  0 "[    .    1]" 
       145 . 1 26 U C3' 1 26 U O3' 1 27 G P   1 27 G O5' -120.00  -20.00  -69.15  -69.52  -69.70     . .  0 "[    .    1]" 
       146 . 1 26 U C5' 1 26 U C4' 1 26 U C3' 1 26 U O3'   60.00  100.00   81.56   81.38   81.75     . .  0 "[    .    1]" 
       147 . 1 26 U O4' 1 26 U C1' 1 26 U N1  1 26 U C4   120.00  -60.00 -130.66 -168.23 -102.60     . .  0 "[    .    1]" 
       148 . 1 26 U O5' 1 26 U C5' 1 26 U C4' 1 26 U C3'   30.00   90.00   53.92   53.42   54.46     . .  0 "[    .    1]" 
       149 . 1 26 U O3' 1 27 G P   1 27 G O5' 1 27 G C5' -100.00  -20.00  -64.65  -65.57  -63.44     . .  0 "[    .    1]" 
       150 . 1 27 G P   1 27 G O5' 1 27 G C5' 1 27 G C4'  130.00 -130.00  176.57  174.29  178.68     . .  0 "[    .    1]" 
       151 . 1 27 G C4' 1 27 G C3' 1 27 G O3' 1 28 U P    150.00 -110.00 -156.12 -155.17 -155.24     . .  0 "[    .    1]" 
       152 . 1 27 G C3' 1 27 G O3' 1 28 U P   1 28 U O5' -120.00  -20.00  -67.58  -68.37  -66.13     . .  0 "[    .    1]" 
       153 . 1 27 G C5' 1 27 G C4' 1 27 G C3' 1 27 G O3'   60.00  100.00   81.22   80.86   81.61     . .  0 "[    .    1]" 
       154 . 1 27 G O4' 1 27 G C1' 1 27 G N9  1 27 G C4   120.00  -60.00 -159.67 -161.36 -161.77     . .  0 "[    .    1]" 
       155 . 1 27 G O5' 1 27 G C5' 1 27 G C4' 1 27 G C3'   30.00   90.00   52.59   52.60   52.57     . .  0 "[    .    1]" 
       156 . 1 27 G O3' 1 28 U P   1 28 U O5' 1 28 U C5' -100.00  -20.00  -64.44  -65.01  -66.44     . .  0 "[    .    1]" 
       157 . 1 28 U P   1 28 U O5' 1 28 U C5' 1 28 U C4'  130.00 -130.00  173.64  172.01  178.58     . .  0 "[    .    1]" 
       158 . 1 28 U C4' 1 28 U C3' 1 28 U O3' 1 29 U P    150.00 -110.00 -157.35 -156.64 -157.15     . .  0 "[    .    1]" 
       159 . 1 28 U C3' 1 28 U O3' 1 29 U P   1 29 U O5' -120.00  -20.00  -90.47  -93.50  -88.92     . .  0 "[    .    1]" 
       160 . 1 28 U C5' 1 28 U C4' 1 28 U C3' 1 28 U O3'   60.00  100.00   80.80   80.56   81.05     . .  0 "[    .    1]" 
       161 . 1 28 U O4' 1 28 U C1' 1 28 U N1  1 28 U C4   120.00  -60.00  114.47   82.51  134.85 37.49 7  4 "[ *  . + *-]" 
       162 . 1 28 U O5' 1 28 U C5' 1 28 U C4' 1 28 U C3'   30.00   90.00   52.43   51.96   51.82     . .  0 "[    .    1]" 
       163 . 1 28 U O3' 1 29 U P   1 29 U O5' 1 29 U C5' -100.00  -20.00  -45.83  -48.81  -44.45     . .  0 "[    .    1]" 
       164 . 1 29 U P   1 29 U O5' 1 29 U C5' 1 29 U C4'  130.00 -130.00  146.31  143.64  148.43     . .  0 "[    .    1]" 
       165 . 1 29 U C4' 1 29 U C3' 1 29 U O3' 1 30 U P    150.00 -110.00 -162.52 -162.02 -162.66     . .  0 "[    .    1]" 
       166 . 1 29 U C3' 1 29 U O3' 1 30 U P   1 30 U O5' -120.00  -20.00  -72.31  -73.32  -71.23     . .  0 "[    .    1]" 
       167 . 1 29 U C5' 1 29 U C4' 1 29 U C3' 1 29 U O3'   60.00  100.00   81.95   81.42   82.16     . .  0 "[    .    1]" 
       168 . 1 29 U O4' 1 29 U C1' 1 29 U N1  1 29 U C4   120.00  -60.00 -140.78 -123.72 -135.17     . .  0 "[    .    1]" 
       169 . 1 29 U O5' 1 29 U C5' 1 29 U C4' 1 29 U C3'   30.00   90.00   56.54   55.97   57.18     . .  0 "[    .    1]" 
       170 . 1 29 U O3' 1 30 U P   1 30 U O5' 1 30 U C5' -100.00  -20.00  -56.05  -57.56  -53.50     . .  0 "[    .    1]" 
       171 . 1 30 U P   1 30 U O5' 1 30 U C5' 1 30 U C4'  130.00 -130.00  151.30  151.79  151.70     . .  0 "[    .    1]" 
       172 . 1 30 U C5' 1 30 U C4' 1 30 U C3' 1 30 U O3'   60.00  100.00   84.02   83.49   83.02     . .  0 "[    .    1]" 
       173 . 1 30 U O4' 1 30 U C1' 1 30 U N1  1 30 U C4   120.00  -60.00 -110.02 -102.87 -106.31     . .  0 "[    .    1]" 
       174 . 1 30 U O5' 1 30 U C5' 1 30 U C4' 1 30 U C3'   30.00   90.00   66.43   65.75   65.62     . .  0 "[    .    1]" 
       175 . 1 32 G O4' 1 32 G C1' 1 32 G N9  1 32 G C4    10.00   90.00   43.18   43.98   40.50     . .  0 "[    .    1]" 
       176 . 1 32 G O3' 1 33 U P   1 33 U O5' 1 33 U C5' -100.00  -20.00  -62.10  -57.94  -62.36     . .  0 "[    .    1]" 
       177 . 1 33 U P   1 33 U O5' 1 33 U C5' 1 33 U C4'  130.00 -130.00  162.73  158.15  168.96     . .  0 "[    .    1]" 
       178 . 1 33 U C4' 1 33 U C3' 1 33 U O3' 1 34 C P    150.00 -110.00 -154.81 -155.15 -154.01     . .  0 "[    .    1]" 
       179 . 1 33 U C3' 1 33 U O3' 1 34 C P   1 34 C O5' -120.00  -20.00  -87.19  -87.62  -88.60     . .  0 "[    .    1]" 
       180 . 1 33 U C5' 1 33 U C4' 1 33 U C3' 1 33 U O3'   60.00  100.00   80.60   80.21   79.96     . .  0 "[    .    1]" 
       181 . 1 33 U O4' 1 33 U C1' 1 33 U N1  1 33 U C4   120.00  -60.00  150.76  145.16  156.49     . .  0 "[    .    1]" 
       182 . 1 33 U O5' 1 33 U C5' 1 33 U C4' 1 33 U C3'   30.00   90.00   54.39   53.22   55.34     . .  0 "[    .    1]" 
       183 . 1 33 U O3' 1 34 C P   1 34 C O5' 1 34 C C5' -100.00  -20.00  -58.38  -58.80  -59.38     . .  0 "[    .    1]" 
       184 . 1 34 C P   1 34 C O5' 1 34 C C5' 1 34 C C4'  130.00 -130.00  160.11  159.48  160.98     . .  0 "[    .    1]" 
       185 . 1 34 C C4' 1 34 C C3' 1 34 C O3' 1 35 G P    150.00 -110.00 -157.72 -158.29 -157.31     . .  0 "[    .    1]" 
       186 . 1 34 C C3' 1 34 C O3' 1 35 G P   1 35 G O5' -120.00  -20.00  -72.06  -72.60  -71.27     . .  0 "[    .    1]" 
       187 . 1 34 C C5' 1 34 C C4' 1 34 C C3' 1 34 C O3'   60.00  100.00   81.28   81.09   81.51     . .  0 "[    .    1]" 
       188 . 1 34 C O4' 1 34 C C1' 1 34 C N1  1 34 C C4   120.00  -60.00  164.30  164.07  160.28     . .  0 "[    .    1]" 
       189 . 1 34 C O5' 1 34 C C5' 1 34 C C4' 1 34 C C3'   30.00   90.00   55.34   55.71   55.59     . .  0 "[    .    1]" 
       190 . 1 34 C O3' 1 35 G P   1 35 G O5' 1 35 G C5' -100.00  -20.00  -65.23  -66.32  -64.12     . .  0 "[    .    1]" 
       191 . 1 35 G P   1 35 G O5' 1 35 G C5' 1 35 G C4'  130.00 -130.00  176.24  174.39  178.55     . .  0 "[    .    1]" 
       192 . 1 35 G C4' 1 35 G C3' 1 35 G O3' 1 36 A P    150.00 -110.00 -156.14 -155.95 -156.26     . .  0 "[    .    1]" 
       193 . 1 35 G C3' 1 35 G O3' 1 36 A P   1 36 A O5' -120.00  -20.00  -70.66  -71.73  -69.59     . .  0 "[    .    1]" 
       194 . 1 35 G C5' 1 35 G C4' 1 35 G C3' 1 35 G O3'   60.00  100.00   80.97   80.54   81.29     . .  0 "[    .    1]" 
       195 . 1 35 G O4' 1 35 G C1' 1 35 G N9  1 35 G C4   120.00  -60.00 -162.21 -161.59 -161.86     . .  0 "[    .    1]" 
       196 . 1 35 G O5' 1 35 G C5' 1 35 G C4' 1 35 G C3'   30.00   90.00   52.37   52.04   51.99     . .  0 "[    .    1]" 
       197 . 1 35 G O3' 1 36 A P   1 36 A O5' 1 36 A C5' -100.00  -20.00  -64.52  -63.99  -64.03     . .  0 "[    .    1]" 
       198 . 1 36 A P   1 36 A O5' 1 36 A C5' 1 36 A C4'  130.00 -130.00  175.25  173.99  178.18     . .  0 "[    .    1]" 
       199 . 1 36 A C4' 1 36 A C3' 1 36 A O3' 1 37 G P    150.00 -110.00 -157.31 -157.63 -156.91     . .  0 "[    .    1]" 
       200 . 1 36 A C3' 1 36 A O3' 1 37 G P   1 37 G O5' -120.00  -20.00  -71.74  -72.36  -71.29     . .  0 "[    .    1]" 
       201 . 1 36 A C5' 1 36 A C4' 1 36 A C3' 1 36 A O3'   60.00  100.00   80.98   80.61   81.33     . .  0 "[    .    1]" 
       202 . 1 36 A O4' 1 36 A C1' 1 36 A N9  1 36 A C4   120.00  -60.00 -159.59 -159.57 -159.63     . .  0 "[    .    1]" 
       203 . 1 36 A O5' 1 36 A C5' 1 36 A C4' 1 36 A C3'   30.00   90.00   53.20   53.30   53.25     . .  0 "[    .    1]" 
       204 . 1 36 A O3' 1 37 G P   1 37 G O5' 1 37 G C5' -100.00  -20.00  -63.78  -64.73  -63.37     . .  0 "[    .    1]" 
       205 . 1 37 G P   1 37 G O5' 1 37 G C5' 1 37 G C4'  130.00 -130.00  172.48  172.29  172.10     . .  0 "[    .    1]" 
       206 . 1 37 G C4' 1 37 G C3' 1 37 G O3' 1 38 C P    150.00 -110.00 -157.42 -157.80 -157.00     . .  0 "[    .    1]" 
       207 . 1 37 G C3' 1 37 G O3' 1 38 C P   1 38 C O5' -120.00  -20.00  -71.89  -72.40  -71.41     . .  0 "[    .    1]" 
       208 . 1 37 G C5' 1 37 G C4' 1 37 G C3' 1 37 G O3'   60.00  100.00   81.24   81.29   81.25     . .  0 "[    .    1]" 
       209 . 1 37 G O4' 1 37 G C1' 1 37 G N9  1 37 G C4   120.00  -60.00 -161.91 -162.14 -162.24     . .  0 "[    .    1]" 
       210 . 1 37 G O5' 1 37 G C5' 1 37 G C4' 1 37 G C3'   30.00   90.00   53.48   53.27   53.80     . .  0 "[    .    1]" 
       211 . 1 37 G O3' 1 38 C P   1 38 C O5' 1 38 C C5' -100.00  -20.00  -63.28  -63.75  -62.80     . .  0 "[    .    1]" 
       212 . 1 38 C P   1 38 C O5' 1 38 C C5' 1 38 C C4'  130.00 -130.00  172.19  171.52  172.76     . .  0 "[    .    1]" 
       213 . 1 38 C C4' 1 38 C C3' 1 38 C O3' 1 39 C P    150.00 -110.00 -157.74 -157.57 -157.82     . .  0 "[    .    1]" 
       214 . 1 38 C C3' 1 38 C O3' 1 39 C P   1 39 C O5' -120.00  -20.00  -71.61  -72.12  -70.48     . .  0 "[    .    1]" 
       215 . 1 38 C C5' 1 38 C C4' 1 38 C C3' 1 38 C O3'   60.00  100.00   81.52   81.71   81.64     . .  0 "[    .    1]" 
       216 . 1 38 C O4' 1 38 C C1' 1 38 C N1  1 38 C C4   120.00  -60.00 -165.27 -177.82 -155.75     . .  0 "[    .    1]" 
       217 . 1 38 C O5' 1 38 C C5' 1 38 C C4' 1 38 C C3'   30.00   90.00   54.05   53.86   54.37     . .  0 "[    .    1]" 
       218 . 1 38 C O3' 1 39 C P   1 39 C O5' 1 39 C C5' -100.00  -20.00  -62.88  -63.19  -62.48     . .  0 "[    .    1]" 
       219 . 1 39 C P   1 39 C O5' 1 39 C C5' 1 39 C C4'  130.00 -130.00  173.64  173.57  173.53     . .  0 "[    .    1]" 
       220 . 1 39 C C4' 1 39 C C3' 1 39 C O3' 1 40 C P    150.00 -110.00 -156.88 -156.89 -157.12     . .  0 "[    .    1]" 
       221 . 1 39 C C3' 1 39 C O3' 1 40 C P   1 40 C O5' -120.00  -20.00  -69.64  -70.57  -69.39     . .  0 "[    .    1]" 
       222 . 1 39 C C5' 1 39 C C4' 1 39 C C3' 1 39 C O3'   60.00  100.00   81.56   81.49   81.34     . .  0 "[    .    1]" 
       223 . 1 39 C O4' 1 39 C C1' 1 39 C N1  1 39 C C4   120.00  -60.00 -166.45 -177.47 -150.88     . .  0 "[    .    1]" 
       224 . 1 39 C O5' 1 39 C C5' 1 39 C C4' 1 39 C C3'   30.00   90.00   53.91   53.65   54.13     . .  0 "[    .    1]" 
       225 . 1 39 C O3' 1 40 C P   1 40 C O5' 1 40 C C5' -100.00  -20.00  -64.74  -65.14  -64.28     . .  0 "[    .    1]" 
       226 . 1 40 C P   1 40 C O5' 1 40 C C5' 1 40 C C4'  130.00 -130.00  178.81  178.07  179.51     . .  0 "[    .    1]" 
       227 . 1 40 C C5' 1 40 C C4' 1 40 C C3' 1 40 C O3'   60.00  100.00   82.46   81.92   83.24     . .  0 "[    .    1]" 
       228 . 1 40 C O4' 1 40 C C1' 1 40 C N1  1 40 C C4   120.00  -60.00 -154.43 -164.96 -147.97     . .  0 "[    .    1]" 
       229 . 1 40 C O5' 1 40 C C5' 1 40 C C4' 1 40 C C3'   30.00   90.00   52.72   53.00   52.85     . .  0 "[    .    1]" 
    stop_

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