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
398012 1t4l cing 4-filtered-FRED Wattos check violation dihedral angle


data_1t4l


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              227
    _TA_constraint_stats_list.Viol_count                    215
    _TA_constraint_stats_list.Viol_total                    1394.76
    _TA_constraint_stats_list.Viol_max                      1.96
    _TA_constraint_stats_list.Viol_rms                      0.13
    _TA_constraint_stats_list.Viol_average_all_restraints   0.03
    _TA_constraint_stats_list.Viol_average_violations_only  0.43
    _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 O4' 1  1 G C1' 1  1 G N9  1  1 G C4   170.00 -130.00 -169.17 -170.78 -173.00    .  . 0 "[    .    1    .]" 
         2 . 1  2 G O4' 1  2 G C1' 1  2 G N9  1  2 G C4   170.00 -130.00 -161.29 -161.59 -164.49    .  . 0 "[    .    1    .]" 
         3 . 1  3 G O4' 1  3 G C1' 1  3 G N9  1  3 G C4   170.00 -130.00 -155.87 -164.91 -151.03    .  . 0 "[    .    1    .]" 
         4 . 1  4 A O4' 1  4 A C1' 1  4 A N9  1  4 A C4   170.00 -130.00 -149.01 -153.33 -142.84    .  . 0 "[    .    1    .]" 
         5 . 1  5 U O4' 1  5 U C1' 1  5 U N1  1  5 U C2   170.00 -130.00 -148.83 -154.81 -141.20    .  . 0 "[    .    1    .]" 
         6 . 1  6 A O4' 1  6 A C1' 1  6 A N1  1  6 A C2   170.00 -130.00 -147.34 -147.54 -149.15    .  . 0 "[    .    1    .]" 
         7 . 1  7 C O4' 1  7 C C1' 1  7 C N1  1  7 C C2   170.00 -130.00 -145.19 -149.84 -153.06    .  . 0 "[    .    1    .]" 
         8 . 1  8 C O4' 1  8 C C1' 1  8 C N1  1  8 C C2   170.00 -130.00 -145.91 -158.02 -140.61    .  . 0 "[    .    1    .]" 
         9 . 1  9 A O4' 1  9 A C1' 1  9 A N9  1  9 A C4   170.00 -130.00 -154.59 -164.78 -141.96    .  . 0 "[    .    1    .]" 
        10 . 1 10 U O4' 1 10 U C1' 1 10 U N1  1 10 U C2   170.00 -130.00 -147.22 -148.77 -151.08    .  . 0 "[    .    1    .]" 
        11 . 1 11 G O4' 1 11 G C1' 1 11 G N9  1 11 G C4   170.00 -130.00 -159.85 -152.74 -156.21    .  . 0 "[    .    1    .]" 
        12 . 1 12 U O4' 1 12 U C1' 1 12 U N1  1 12 U C2   170.00 -130.00 -154.62 -150.58 -152.26    .  . 0 "[    .    1    .]" 
        13 . 1 13 U O4' 1 13 U C1' 1 13 U N1  1 13 U C2   170.00 -130.00 -152.33 -154.94 -158.10    .  . 0 "[    .    1    .]" 
        14 . 1 14 C O4' 1 14 C C1' 1 14 C N1  1 14 C C2   170.00 -130.00 -156.88 -155.34 -156.22    .  . 0 "[    .    1    .]" 
        15 . 1 15 A O4' 1 15 A C1' 1 15 A N9  1 15 A C4   140.00 -100.00 -165.61 -176.09 -157.50    .  . 0 "[    .    1    .]" 
        16 . 1 16 G O4' 1 16 G C1' 1 16 G N9  1 16 G C4    30.00   90.00   62.30   76.13   67.83    .  . 0 "[    .    1    .]" 
        17 . 1 17 A O4' 1 17 A C1' 1 17 A N9  1 17 A C4   140.00 -100.00 -114.66 -110.20 -113.56 0.23  8 0 "[    .    1    .]" 
        18 . 1 18 A O4' 1 18 A C1' 1 18 A N9  1 18 A C4   140.00 -100.00 -135.66 -153.76 -125.79    .  . 0 "[    .    1    .]" 
        19 . 1 19 G O4' 1 19 G C1' 1 19 G N9  1 19 G C4   170.00 -130.00 -160.71 -158.14 -161.12    .  . 0 "[    .    1    .]" 
        20 . 1 20 A O4' 1 20 A C1' 1 20 A N9  1 20 A C4   170.00 -130.00 -159.92 -158.70 -160.30    .  . 0 "[    .    1    .]" 
        21 . 1 21 A O4' 1 21 A C1' 1 21 A N9  1 21 A C4   170.00 -130.00 -161.72 -169.06 -153.46    .  . 0 "[    .    1    .]" 
        22 . 1 22 C O4' 1 22 C C1' 1 22 C N1  1 22 C C2   170.00 -130.00 -158.68 -164.92 -153.53    .  . 0 "[    .    1    .]" 
        23 . 1 23 G O4' 1 23 G C1' 1 23 G N9  1 23 G C4   170.00 -130.00 -167.62 -164.33 -166.57    .  . 0 "[    .    1    .]" 
        24 . 1 24 U O4' 1 24 U C1' 1 24 U N1  1 24 U C2   170.00 -130.00 -148.41 -151.90 -144.34    .  . 0 "[    .    1    .]" 
        25 . 1 25 G O4' 1 25 G C1' 1 25 G N9  1 25 G C4   170.00 -130.00 -148.46 -147.99 -150.52    .  . 0 "[    .    1    .]" 
        26 . 1 26 G O4' 1 26 G C1' 1 26 G N9  1 26 G C4   170.00 -130.00 -157.24 -161.59 -151.17    .  . 0 "[    .    1    .]" 
        27 . 1 27 U O4' 1 27 U C1' 1 27 U N1  1 27 U C2   170.00 -130.00 -145.43 -150.57 -141.37    .  . 0 "[    .    1    .]" 
        28 . 1 28 A O4' 1 28 A C1' 1 28 A N9  1 28 A C4   170.00 -130.00 -147.90 -153.11 -141.14    .  . 0 "[    .    1    .]" 
        29 . 1 29 U O4' 1 29 U C1' 1 29 U N1  1 29 U C2   170.00 -130.00 -150.72 -154.17 -147.79    .  . 0 "[    .    1    .]" 
        30 . 1 30 C O4' 1 30 C C1' 1 30 C N1  1 30 C C2   170.00 -130.00 -157.15 -160.83 -162.73    .  . 0 "[    .    1    .]" 
        31 . 1 31 U O4' 1 31 U C1' 1 31 U N1  1 31 U C2   170.00 -130.00 -147.37 -148.66 -150.23    .  . 0 "[    .    1    .]" 
        32 . 1 32 C O4' 1 32 C C1' 1 32 C N1  1 32 C C2   170.00 -130.00 -149.64 -155.52 -158.69    .  . 0 "[    .    1    .]" 
        33 . 1  1 G O3' 1  2 G P   1  2 G O5' 1  2 G C5'  -92.10  -32.10  -72.34  -63.20  -69.89    .  . 0 "[    .    1    .]" 
        34 . 1  2 G O3' 1  3 G P   1  3 G O5' 1  3 G C5'  -92.10  -32.10  -89.24  -92.77  -77.11 0.67  7 0 "[    .    1    .]" 
        35 . 1  3 G O3' 1  4 A P   1  4 A O5' 1  4 A C5'  -92.10  -32.10  -88.77  -92.68  -77.67 0.58  3 0 "[    .    1    .]" 
        36 . 1  4 A O3' 1  5 U P   1  5 U O5' 1  5 U C5'  -92.10  -32.10  -87.08  -92.98  -58.48 0.88  5 0 "[    .    1    .]" 
        37 . 1  5 U O3' 1  6 A P   1  6 A O5' 1  6 A C5'  -92.10  -32.10  -90.11  -88.75  -90.75 0.73  9 0 "[    .    1    .]" 
        38 . 1  6 A O3' 1  7 C P   1  7 C O5' 1  7 C C5'  -92.10  -32.10  -86.71  -85.27  -88.02 0.49  6 0 "[    .    1    .]" 
        39 . 1  7 C O3' 1  8 C P   1  8 C O5' 1  8 C C5'  -92.10  -32.10  -89.31  -92.55  -78.14 0.45  5 0 "[    .    1    .]" 
        40 . 1  8 C O3' 1  9 A P   1  9 A O5' 1  9 A C5'  -92.10  -32.10  -91.84  -84.84  -90.20 0.83  1 0 "[    .    1    .]" 
        41 . 1  9 A O3' 1 10 U P   1 10 U O5' 1 10 U C5'  -92.10  -32.10  -90.40  -92.76  -81.68 0.66 13 0 "[    .    1    .]" 
        42 . 1 10 U O3' 1 11 G P   1 11 G O5' 1 11 G C5'  -92.10  -32.10  -82.24  -91.69  -74.56    .  . 0 "[    .    1    .]" 
        43 . 1 11 G O3' 1 12 U P   1 12 U O5' 1 12 U C5'  -92.10  -32.10  -78.02  -71.39  -75.16    .  . 0 "[    .    1    .]" 
        44 . 1 12 U O3' 1 13 U P   1 13 U O5' 1 13 U C5'  -92.10  -32.10  -87.58  -92.58  -66.13 0.48  9 0 "[    .    1    .]" 
        45 . 1 13 U O3' 1 14 C P   1 14 C O5' 1 14 C C5'  -92.10  -32.10  -76.91  -82.17  -85.40    .  . 0 "[    .    1    .]" 
        46 . 1 19 G O3' 1 20 A P   1 20 A O5' 1 20 A C5'  -92.10  -32.10  -71.63  -69.43  -71.14    .  . 0 "[    .    1    .]" 
        47 . 1 20 A O3' 1 21 A P   1 21 A O5' 1 21 A C5'  -92.10  -32.10  -80.28  -89.00  -90.27    .  . 0 "[    .    1    .]" 
        48 . 1 21 A O3' 1 22 C P   1 22 C O5' 1 22 C C5'  -92.10  -32.10  -88.27  -87.45  -88.79 0.81 11 0 "[    .    1    .]" 
        49 . 1 22 C O3' 1 23 G P   1 23 G O5' 1 23 G C5'  -92.10  -32.10  -85.40  -82.59  -85.35 0.23 10 0 "[    .    1    .]" 
        50 . 1 23 G O3' 1 24 U P   1 24 U O5' 1 24 U C5'  -92.10  -32.10  -89.62  -60.73  -82.67 1.12  1 0 "[    .    1    .]" 
        51 . 1 24 U O3' 1 25 G P   1 25 G O5' 1 25 G C5'  -92.10  -32.10  -78.41  -90.80  -92.11 0.66  6 0 "[    .    1    .]" 
        52 . 1 25 G O3' 1 26 G P   1 26 G O5' 1 26 G C5'  -92.10  -32.10  -90.13  -92.88  -78.50 0.78 10 0 "[    .    1    .]" 
        53 . 1 26 G O3' 1 27 U P   1 27 U O5' 1 27 U C5'  -92.10  -32.10  -88.54  -92.40  -74.58 0.30 12 0 "[    .    1    .]" 
        54 . 1 27 U O3' 1 28 A P   1 28 A O5' 1 28 A C5'  -92.10  -32.10  -90.13  -92.54  -92.60 0.71  7 0 "[    .    1    .]" 
        55 . 1 28 A O3' 1 29 U P   1 29 U O5' 1 29 U C5'  -92.10  -32.10  -75.40  -91.41  -45.09    .  . 0 "[    .    1    .]" 
        56 . 1 29 U O3' 1 30 C P   1 30 C O5' 1 30 C C5'  -92.10  -32.10  -83.35  -77.00  -78.19 0.43  6 0 "[    .    1    .]" 
        57 . 1 30 C O3' 1 31 U P   1 31 U O5' 1 31 U C5'  -92.10  -32.10  -86.88  -87.64  -90.28 0.78  4 0 "[    .    1    .]" 
        58 . 1 31 U O3' 1 32 C P   1 32 C O5' 1 32 C C5'  -92.10  -32.10  -78.16  -86.76  -90.89 0.14  1 0 "[    .    1    .]" 
        59 . 1  2 G P   1  2 G O5' 1  2 G C5' 1  2 G C4'  150.00 -150.00 -167.57 -169.84 -173.64    .  . 0 "[    .    1    .]" 
        60 . 1  3 G P   1  3 G O5' 1  3 G C5' 1  3 G C4'  150.00 -150.00 -169.34  177.19 -158.36    .  . 0 "[    .    1    .]" 
        61 . 1  4 A P   1  4 A O5' 1  4 A C5' 1  4 A C4'  150.00 -150.00 -169.36 -177.27 -160.28    .  . 0 "[    .    1    .]" 
        62 . 1  5 U P   1  5 U O5' 1  5 U C5' 1  5 U C4'  150.00 -150.00 -174.31 -173.35 -174.67    .  . 0 "[    .    1    .]" 
        63 . 1  6 A P   1  6 A O5' 1  6 A C5' 1  6 A C4'  150.00 -150.00  179.17 -178.16 -179.53    .  . 0 "[    .    1    .]" 
        64 . 1  7 C P   1  7 C O5' 1  7 C C5' 1  7 C C4'  150.00 -150.00 -167.03 -169.23 -171.56    .  . 0 "[    .    1    .]" 
        65 . 1  8 C P   1  8 C O5' 1  8 C C5' 1  8 C C4'  150.00 -150.00 -172.46  173.86 -163.71    .  . 0 "[    .    1    .]" 
        66 . 1  9 A P   1  9 A O5' 1  9 A C5' 1  9 A C4'  150.00 -150.00  175.25  175.51  174.97    .  . 0 "[    .    1    .]" 
        67 . 1 10 U P   1 10 U O5' 1 10 U C5' 1 10 U C4'  150.00 -150.00 -178.30 -177.06 -178.58    .  . 0 "[    .    1    .]" 
        68 . 1 11 G P   1 11 G O5' 1 11 G C5' 1 11 G C4'  150.00 -150.00  172.23  179.37  178.25    .  . 0 "[    .    1    .]" 
        69 . 1 12 U P   1 12 U O5' 1 12 U C5' 1 12 U C4'  150.00 -150.00  173.85  168.07 -178.34    .  . 0 "[    .    1    .]" 
        70 . 1 13 U P   1 13 U O5' 1 13 U C5' 1 13 U C4'  150.00 -150.00 -178.81 -179.68  176.76    .  . 0 "[    .    1    .]" 
        71 . 1 14 C P   1 14 C O5' 1 14 C C5' 1 14 C C4'  150.00 -150.00  171.03  161.66 -178.02    .  . 0 "[    .    1    .]" 
        72 . 1 15 A P   1 15 A O5' 1 15 A C5' 1 15 A C4'  150.00 -150.00 -156.60 -157.81 -160.95 0.91  4 0 "[    .    1    .]" 
        73 . 1 20 A P   1 20 A O5' 1 20 A C5' 1 20 A C4'  150.00 -150.00  169.54  175.45  171.96    .  . 0 "[    .    1    .]" 
        74 . 1 21 A P   1 21 A O5' 1 21 A C5' 1 21 A C4'  150.00 -150.00  172.44  151.27 -172.72    .  . 0 "[    .    1    .]" 
        75 . 1 22 C P   1 22 C O5' 1 22 C C5' 1 22 C C4'  150.00 -150.00  174.77  163.54 -170.27    .  . 0 "[    .    1    .]" 
        76 . 1 23 G P   1 23 G O5' 1 23 G C5' 1 23 G C4'  150.00 -150.00 -179.93  164.17 -168.69    .  . 0 "[    .    1    .]" 
        77 . 1 24 U P   1 24 U O5' 1 24 U C5' 1 24 U C4'  150.00 -150.00 -162.90  175.90 -156.39    .  . 0 "[    .    1    .]" 
        78 . 1 25 G P   1 25 G O5' 1 25 G C5' 1 25 G C4'  150.00 -150.00  179.26 -177.79  174.01    .  . 0 "[    .    1    .]" 
        79 . 1 26 G P   1 26 G O5' 1 26 G C5' 1 26 G C4'  150.00 -150.00  172.11  160.61 -168.19    .  . 0 "[    .    1    .]" 
        80 . 1 27 U P   1 27 U O5' 1 27 U C5' 1 27 U C4'  150.00 -150.00 -162.65 -160.11 -160.46    .  . 0 "[    .    1    .]" 
        81 . 1 28 A P   1 28 A O5' 1 28 A C5' 1 28 A C4'  150.00 -150.00 -166.63 -176.16 -159.25    .  . 0 "[    .    1    .]" 
        82 . 1 29 U P   1 29 U O5' 1 29 U C5' 1 29 U C4'  150.00 -150.00 -174.20 -168.00 -170.01    .  . 0 "[    .    1    .]" 
        83 . 1 30 C P   1 30 C O5' 1 30 C C5' 1 30 C C4'  150.00 -150.00  177.48  175.18  174.00    .  . 0 "[    .    1    .]" 
        84 . 1 31 U P   1 31 U O5' 1 31 U C5' 1 31 U C4'  150.00 -150.00 -169.46 -170.78 -172.99    .  . 0 "[    .    1    .]" 
        85 . 1 32 C P   1 32 C O5' 1 32 C C5' 1 32 C C4'  150.00 -150.00  175.97  163.38 -173.08    .  . 0 "[    .    1    .]" 
        86 . 1  1 G C4' 1  1 G C3' 1  1 G O3' 1  2 G P    170.00 -130.00 -170.33 -179.76 -145.55    .  . 0 "[    .    1    .]" 
        87 . 1  2 G C4' 1  2 G C3' 1  2 G O3' 1  3 G P    170.00 -130.00 -167.71 -165.40 -168.32    .  . 0 "[    .    1    .]" 
        88 . 1  3 G C4' 1  3 G C3' 1  3 G O3' 1  4 A P    170.00 -130.00 -175.68 -177.44 -179.11    .  . 0 "[    .    1    .]" 
        89 . 1  4 A C4' 1  4 A C3' 1  4 A O3' 1  5 U P    170.00 -130.00 -177.40  174.34 -167.28    .  . 0 "[    .    1    .]" 
        90 . 1  5 U C4' 1  5 U C3' 1  5 U O3' 1  6 A P    170.00 -130.00 -166.73 -161.55 -162.29    .  . 0 "[    .    1    .]" 
        91 . 1  6 A C4' 1  6 A C3' 1  6 A O3' 1  7 C P    170.00 -130.00 -172.65  177.81 -166.71    .  . 0 "[    .    1    .]" 
        92 . 1  7 C C4' 1  7 C C3' 1  7 C O3' 1  8 C P    170.00 -130.00 -163.13 -175.16 -146.19    .  . 0 "[    .    1    .]" 
        93 . 1  8 C C4' 1  8 C C3' 1  8 C O3' 1  9 A P    170.00 -130.00 -159.32 -155.38 -156.46    .  . 0 "[    .    1    .]" 
        94 . 1  9 A C4' 1  9 A C3' 1  9 A O3' 1 10 U P    170.00 -130.00 -169.38 -163.49 -169.61    .  . 0 "[    .    1    .]" 
        95 . 1 10 U C4' 1 10 U C3' 1 10 U O3' 1 11 G P    170.00 -130.00 -176.92  177.27 -170.93    .  . 0 "[    .    1    .]" 
        96 . 1 11 G C4' 1 11 G C3' 1 11 G O3' 1 12 U P    170.00 -130.00  177.61  177.46  176.67    .  . 0 "[    .    1    .]" 
        97 . 1 12 U C4' 1 12 U C3' 1 12 U O3' 1 13 U P    170.00 -130.00  179.01  175.69 -172.48    .  . 0 "[    .    1    .]" 
        98 . 1 13 U C4' 1 13 U C3' 1 13 U O3' 1 14 C P    170.00 -130.00 -171.96 -175.47  179.98    .  . 0 "[    .    1    .]" 
        99 . 1 14 C C4' 1 14 C C3' 1 14 C O3' 1 15 A P    170.00 -130.00 -149.68 -162.55 -139.36    .  . 0 "[    .    1    .]" 
       100 . 1 19 G C4' 1 19 G C3' 1 19 G O3' 1 20 A P    170.00 -130.00 -174.38  172.70 -156.48    .  . 0 "[    .    1    .]" 
       101 . 1 20 A C4' 1 20 A C3' 1 20 A O3' 1 21 A P    170.00 -130.00 -173.87  179.19  178.34    .  . 0 "[    .    1    .]" 
       102 . 1 21 A C4' 1 21 A C3' 1 21 A O3' 1 22 C P    170.00 -130.00 -176.04  179.57  176.77    .  . 0 "[    .    1    .]" 
       103 . 1 22 C C4' 1 22 C C3' 1 22 C O3' 1 23 G P    170.00 -130.00 -177.70 -179.40  179.39    .  . 0 "[    .    1    .]" 
       104 . 1 23 G C4' 1 23 G C3' 1 23 G O3' 1 24 U P    170.00 -130.00 -177.47 -148.58 -170.17    .  . 0 "[    .    1    .]" 
       105 . 1 24 U C4' 1 24 U C3' 1 24 U O3' 1 25 G P    170.00 -130.00 -154.25 -179.98 -137.44    .  . 0 "[    .    1    .]" 
       106 . 1 25 G C4' 1 25 G C3' 1 25 G O3' 1 26 G P    170.00 -130.00 -155.57 -162.18 -166.57    .  . 0 "[    .    1    .]" 
       107 . 1 26 G C4' 1 26 G C3' 1 26 G O3' 1 27 U P    170.00 -130.00 -178.19  174.94 -171.10    .  . 0 "[    .    1    .]" 
       108 . 1 27 U C4' 1 27 U C3' 1 27 U O3' 1 28 A P    170.00 -130.00 -176.98 -176.92 -179.34    .  . 0 "[    .    1    .]" 
       109 . 1 28 A C4' 1 28 A C3' 1 28 A O3' 1 29 U P    170.00 -130.00 -177.92 -179.43 -179.74    .  . 0 "[    .    1    .]" 
       110 . 1 29 U C4' 1 29 U C3' 1 29 U O3' 1 30 C P    170.00 -130.00 -174.49 -175.09 -175.12    .  . 0 "[    .    1    .]" 
       111 . 1 30 C C4' 1 30 C C3' 1 30 C O3' 1 31 U P    170.00 -130.00 -175.65 -173.11 -174.65    .  . 0 "[    .    1    .]" 
       112 . 1 31 U C4' 1 31 U C3' 1 31 U O3' 1 32 C P    170.00 -130.00 -171.36 -179.71 -160.54    .  . 0 "[    .    1    .]" 
       113 . 1  1 G O5' 1  1 G C5' 1  1 G C4' 1  1 G C3'   17.40   77.40   49.99   62.62   53.11    .  . 0 "[    .    1    .]" 
       114 . 1  2 G O5' 1  2 G C5' 1  2 G C4' 1  2 G C3'   17.40   77.40   44.71   17.41   66.12    .  . 0 "[    .    1    .]" 
       115 . 1  3 G O5' 1  3 G C5' 1  3 G C4' 1  3 G C3'   17.40   77.40   62.96   58.34   52.48    .  . 0 "[    .    1    .]" 
       116 . 1  4 A O5' 1  4 A C5' 1  4 A C4' 1  4 A C3'   17.40   77.40   59.46   67.77   62.66    .  . 0 "[    .    1    .]" 
       117 . 1  5 U O5' 1  5 U C5' 1  5 U C4' 1  5 U C3'   17.40   77.40   63.41   58.51   55.49 0.16  3 0 "[    .    1    .]" 
       118 . 1  6 A O5' 1  6 A C5' 1  6 A C4' 1  6 A C3'   17.40   77.40   72.49   63.09   78.25 0.85  6 0 "[    .    1    .]" 
       119 . 1  7 C O5' 1  7 C C5' 1  7 C C4' 1  7 C C3'   17.40   77.40   57.16   37.93   67.82    .  . 0 "[    .    1    .]" 
       120 . 1  8 C O5' 1  8 C C5' 1  8 C C4' 1  8 C C3'   17.40   77.40   55.86   51.47   49.16    .  . 0 "[    .    1    .]" 
       121 . 1  9 A O5' 1  9 A C5' 1  9 A C4' 1  9 A C3'   17.40   77.40   68.10   39.48   78.23 0.83  9 0 "[    .    1    .]" 
       122 . 1 10 U O5' 1 10 U C5' 1 10 U C4' 1 10 U C3'   17.40   77.40   69.82   59.16   77.65 0.25  6 0 "[    .    1    .]" 
       123 . 1 11 G O5' 1 11 G C5' 1 11 G C4' 1 11 G C3'   17.40   77.40   77.83   77.65   77.57 1.00  7 0 "[    .    1    .]" 
       124 . 1 12 U O5' 1 12 U C5' 1 12 U C4' 1 12 U C3'   17.40   77.40   74.97   68.43   77.98 0.58  9 0 "[    .    1    .]" 
       125 . 1 13 U O5' 1 13 U C5' 1 13 U C4' 1 13 U C3'   17.40   77.40   76.30   77.82   77.73 1.19  7 0 "[    .    1    .]" 
       126 . 1 14 C O5' 1 14 C C5' 1 14 C C4' 1 14 C C3'   17.40   77.40   73.69   77.16   76.72 0.64  2 0 "[    .    1    .]" 
       127 . 1 19 G O5' 1 19 G C5' 1 19 G C4' 1 19 G C3'   17.40   77.40   71.72   62.17   77.96 0.56  1 0 "[    .    1    .]" 
       128 . 1 20 A O5' 1 20 A C5' 1 20 A C4' 1 20 A C3'   17.40   77.40   70.71   60.89   77.87 0.47  1 0 "[    .    1    .]" 
       129 . 1 21 A O5' 1 21 A C5' 1 21 A C4' 1 21 A C3'   17.40   77.40   77.30   75.20   78.26 0.86  1 0 "[    .    1    .]" 
       130 . 1 22 C O5' 1 22 C C5' 1 22 C C4' 1 22 C C3'   17.40   77.40   76.29   67.38   78.32 0.92  1 0 "[    .    1    .]" 
       131 . 1 23 G O5' 1 23 G C5' 1 23 G C4' 1 23 G C3'   17.40   77.40   77.77   77.87   77.72 1.91  5 0 "[    .    1    .]" 
       132 . 1 24 U O5' 1 24 U C5' 1 24 U C4' 1 24 U C3'   17.40   77.40   58.38   35.27   66.00    .  . 0 "[    .    1    .]" 
       133 . 1 25 G O5' 1 25 G C5' 1 25 G C4' 1 25 G C3'   17.40   77.40   47.00   26.10   78.11 0.71  6 0 "[    .    1    .]" 
       134 . 1 26 G O5' 1 26 G C5' 1 26 G C4' 1 26 G C3'   17.40   77.40   70.01   66.72   33.13 0.87  9 0 "[    .    1    .]" 
       135 . 1 27 U O5' 1 27 U C5' 1 27 U C4' 1 27 U C3'   17.40   77.40   55.13   56.67   54.81    .  . 0 "[    .    1    .]" 
       136 . 1 28 A O5' 1 28 A C5' 1 28 A C4' 1 28 A C3'   17.40   77.40   63.35   66.35   65.56 1.13  6 0 "[    .    1    .]" 
       137 . 1 29 U O5' 1 29 U C5' 1 29 U C4' 1 29 U C3'   17.40   77.40   48.80   49.22   46.33    .  . 0 "[    .    1    .]" 
       138 . 1 30 C O5' 1 30 C C5' 1 30 C C4' 1 30 C C3'   17.40   77.40   68.91   54.79   77.70 0.30  8 0 "[    .    1    .]" 
       139 . 1 31 U O5' 1 31 U C5' 1 31 U C4' 1 31 U C3'   17.40   77.40   54.21   42.92   76.28    .  . 0 "[    .    1    .]" 
       140 . 1 32 C O5' 1 32 C C5' 1 32 C C4' 1 32 C C3'   17.40   77.40   62.87   77.49   77.04 0.47 15 0 "[    .    1    .]" 
       141 . 1  1 G C3' 1  1 G O3' 1  2 G P   1  2 G O5' -103.60  -43.60  -72.05  -97.20  -48.27    .  . 0 "[    .    1    .]" 
       142 . 1  2 G C3' 1  2 G O3' 1  3 G P   1  3 G O5' -103.60  -43.60  -52.35  -60.30  -43.59 0.01  3 0 "[    .    1    .]" 
       143 . 1  3 G C3' 1  3 G O3' 1  4 A P   1  4 A O5' -103.60  -43.60  -73.66  -81.28  -65.80    .  . 0 "[    .    1    .]" 
       144 . 1  4 A C3' 1  4 A O3' 1  5 U P   1  5 U O5' -103.60  -43.60  -73.69  -77.30  -79.05    .  . 0 "[    .    1    .]" 
       145 . 1  5 U C3' 1  5 U O3' 1  6 A P   1  6 A O5' -103.60  -43.60  -56.68  -71.78  -48.08    .  . 0 "[    .    1    .]" 
       146 . 1  6 A C3' 1  6 A O3' 1  7 C P   1  7 C O5' -103.60  -43.60  -74.38  -77.13  -80.61    .  . 0 "[    .    1    .]" 
       147 . 1  7 C C3' 1  7 C O3' 1  8 C P   1  8 C O5' -103.60  -43.60  -64.13  -74.20  -51.83    .  . 0 "[    .    1    .]" 
       148 . 1  8 C C3' 1  8 C O3' 1  9 A P   1  9 A O5' -103.60  -43.60  -64.95  -62.10  -64.38    .  . 0 "[    .    1    .]" 
       149 . 1  9 A C3' 1  9 A O3' 1 10 U P   1 10 U O5' -103.60  -43.60  -63.12  -65.09  -67.83    .  . 0 "[    .    1    .]" 
       150 . 1 10 U C3' 1 10 U O3' 1 11 G P   1 11 G O5' -103.60  -43.60  -73.64  -91.72  -63.97    .  . 0 "[    .    1    .]" 
       151 . 1 11 G C3' 1 11 G O3' 1 12 U P   1 12 U O5' -103.60  -43.60  -75.39  -82.49  -70.47    .  . 0 "[    .    1    .]" 
       152 . 1 12 U C3' 1 12 U O3' 1 13 U P   1 13 U O5' -103.60  -43.60  -52.93  -65.87  -45.16    .  . 0 "[    .    1    .]" 
       153 . 1 13 U C3' 1 13 U O3' 1 14 C P   1 14 C O5' -103.60  -43.60  -71.51  -82.55  -57.32    .  . 0 "[    .    1    .]" 
       154 . 1 14 C C3' 1 14 C O3' 1 15 A P   1 15 A O5' -103.60  -43.60  -58.60  -50.74  -58.58    .  . 0 "[    .    1    .]" 
       155 . 1 19 G C3' 1 19 G O3' 1 20 A P   1 20 A O5' -103.60  -43.60  -90.59  -90.20  -91.54    .  . 0 "[    .    1    .]" 
       156 . 1 20 A C3' 1 20 A O3' 1 21 A P   1 21 A O5' -103.60  -43.60  -58.26  -57.67  -63.23    .  . 0 "[    .    1    .]" 
       157 . 1 21 A C3' 1 21 A O3' 1 22 C P   1 22 C O5' -103.60  -43.60  -75.48  -85.99  -60.48    .  . 0 "[    .    1    .]" 
       158 . 1 22 C C3' 1 22 C O3' 1 23 G P   1 23 G O5' -103.60  -43.60  -55.41  -65.58  -49.55    .  . 0 "[    .    1    .]" 
       159 . 1 23 G C3' 1 23 G O3' 1 24 U P   1 24 U O5' -103.60  -43.60  -54.57  -61.51  -43.30 0.30 12 0 "[    .    1    .]" 
       160 . 1 24 U C3' 1 24 U O3' 1 25 G P   1 25 G O5' -103.60  -43.60  -73.01  -83.70  -58.07    .  . 0 "[    .    1    .]" 
       161 . 1 25 G C3' 1 25 G O3' 1 26 G P   1 26 G O5' -103.60  -43.60  -68.51  -69.68  -73.48    .  . 0 "[    .    1    .]" 
       162 . 1 26 G C3' 1 26 G O3' 1 27 U P   1 27 U O5' -103.60  -43.60  -69.29  -76.95  -56.00    .  . 0 "[    .    1    .]" 
       163 . 1 27 U C3' 1 27 U O3' 1 28 A P   1 28 A O5' -103.60  -43.60  -48.87  -58.00  -43.60 0.00  4 0 "[    .    1    .]" 
       164 . 1 28 A C3' 1 28 A O3' 1 29 U P   1 29 U O5' -103.60  -43.60  -81.02  -74.52  -76.10    .  . 0 "[    .    1    .]" 
       165 . 1 29 U C3' 1 29 U O3' 1 30 C P   1 30 C O5' -103.60  -43.60  -49.24  -48.61  -49.06 0.32 15 0 "[    .    1    .]" 
       166 . 1 30 C C3' 1 30 C O3' 1 31 U P   1 31 U O5' -103.60  -43.60  -45.58  -53.25  -42.90 0.70  7 0 "[    .    1    .]" 
       167 . 1 31 U C3' 1 31 U O3' 1 32 C P   1 32 C O5' -103.60  -43.60  -76.47  -71.36  -72.87    .  . 0 "[    .    1    .]" 
       168 . 1  1 G C1' 1  1 G C2' 1  1 G C3' 1  1 G C4'    7.30   67.30   24.86    6.56   37.26 0.74  9 0 "[    .    1    .]" 
       169 . 1  2 G C1' 1  2 G C2' 1  2 G C3' 1  2 G C4'    7.30   67.30   37.19   36.51   35.22    .  . 0 "[    .    1    .]" 
       170 . 1  3 G C1' 1  3 G C2' 1  3 G C3' 1  3 G C4'    7.30   67.30   20.32    5.34   30.70 1.96  4 0 "[    .    1    .]" 
       171 . 1  4 A C1' 1  4 A C2' 1  4 A C3' 1  4 A C4'    7.30   67.30   30.12   26.09   38.08    .  . 0 "[    .    1    .]" 
       172 . 1  5 U C1' 1  5 U C2' 1  5 U C3' 1  5 U C4'    7.30   67.30   37.01   38.82   38.28    .  . 0 "[    .    1    .]" 
       173 . 1  6 A C1' 1  6 A C2' 1  6 A C3' 1  6 A C4'    7.30   67.30   27.24   19.02   30.88    .  . 0 "[    .    1    .]" 
       174 . 1  7 C C1' 1  7 C C2' 1  7 C C3' 1  7 C C4'    7.30   67.30   35.08   36.85   36.48    .  . 0 "[    .    1    .]" 
       175 . 1  8 C C1' 1  8 C C2' 1  8 C C3' 1  8 C C4'    7.30   67.30   32.38   39.23   38.79 0.91  3 0 "[    .    1    .]" 
       176 . 1  9 A C1' 1  9 A C2' 1  9 A C3' 1  9 A C4'    7.30   67.30   29.98   32.90   32.01    .  . 0 "[    .    1    .]" 
       177 . 1 10 U C1' 1 10 U C2' 1 10 U C3' 1 10 U C4'    7.30   67.30   27.04    9.82   35.84    .  . 0 "[    .    1    .]" 
       178 . 1 11 G C1' 1 11 G C2' 1 11 G C3' 1 11 G C4'    7.30   67.30   26.39   20.27   28.90    .  . 0 "[    .    1    .]" 
       179 . 1 12 U C1' 1 12 U C2' 1 12 U C3' 1 12 U C4'    7.30   67.30   33.94   30.94   36.54    .  . 0 "[    .    1    .]" 
       180 . 1 13 U C1' 1 13 U C2' 1 13 U C3' 1 13 U C4'    7.30   67.30   21.35   13.69   33.52    .  . 0 "[    .    1    .]" 
       181 . 1 14 C C1' 1 14 C C2' 1 14 C C3' 1 14 C C4'    7.30   67.30   27.56   24.02   32.73    .  . 0 "[    .    1    .]" 
       182 . 1 19 G C1' 1 19 G C2' 1 19 G C3' 1 19 G C4'    7.30   67.30   30.50   27.25   25.94    .  . 0 "[    .    1    .]" 
       183 . 1 20 A C1' 1 20 A C2' 1 20 A C3' 1 20 A C4'    7.30   67.30   32.89   33.26   28.30    .  . 0 "[    .    1    .]" 
       184 . 1 21 A C1' 1 21 A C2' 1 21 A C3' 1 21 A C4'    7.30   67.30   25.59   20.79   32.26    .  . 0 "[    .    1    .]" 
       185 . 1 22 C C1' 1 22 C C2' 1 22 C C3' 1 22 C C4'    7.30   67.30   37.87   33.99   40.24    .  . 0 "[    .    1    .]" 
       186 . 1 23 G C1' 1 23 G C2' 1 23 G C3' 1 23 G C4'    7.30   67.30   31.53   33.01   31.22    .  . 0 "[    .    1    .]" 
       187 . 1 24 U C1' 1 24 U C2' 1 24 U C3' 1 24 U C4'    7.30   67.30   28.57    7.04   40.10 0.26 13 0 "[    .    1    .]" 
       188 . 1 25 G C1' 1 25 G C2' 1 25 G C3' 1 25 G C4'    7.30   67.30   34.14   36.58    8.61    .  . 0 "[    .    1    .]" 
       189 . 1 26 G C1' 1 26 G C2' 1 26 G C3' 1 26 G C4'    7.30   67.30   26.95   20.09   34.49    .  . 0 "[    .    1    .]" 
       190 . 1 27 U C1' 1 27 U C2' 1 27 U C3' 1 27 U C4'    7.30   67.30   36.50   36.33   36.12    .  . 0 "[    .    1    .]" 
       191 . 1 28 A C1' 1 28 A C2' 1 28 A C3' 1 28 A C4'    7.30   67.30   18.73    6.78   29.44 0.52  4 0 "[    .    1    .]" 
       192 . 1 29 U C1' 1 29 U C2' 1 29 U C3' 1 29 U C4'    7.30   67.30   36.84   29.21   39.09    .  . 0 "[    .    1    .]" 
       193 . 1 30 C C1' 1 30 C C2' 1 30 C C3' 1 30 C C4'    7.30   67.30   33.20   27.25   35.09    .  . 0 "[    .    1    .]" 
       194 . 1 31 U C1' 1 31 U C2' 1 31 U C3' 1 31 U C4'    7.30   67.30   21.99   23.76   22.28    .  . 0 "[    .    1    .]" 
       195 . 1 32 C C1' 1 32 C C2' 1 32 C C3' 1 32 C C4'    7.30   67.30   29.30   29.45   27.91    .  . 0 "[    .    1    .]" 
       196 . 1  1 G C5' 1  1 G C4' 1  1 G C3' 1  1 G O3'   55.00  115.00   99.04   95.40  104.71    .  . 0 "[    .    1    .]" 
       197 . 1  2 G C5' 1  2 G C4' 1  2 G C3' 1  2 G O3'   55.00  115.00   89.17   92.73   91.55    .  . 0 "[    .    1    .]" 
       198 . 1  3 G C5' 1  3 G C4' 1  3 G C3' 1  3 G O3'   55.00  115.00   96.49   91.60   90.10    .  . 0 "[    .    1    .]" 
       199 . 1  4 A C5' 1  4 A C4' 1  4 A C3' 1  4 A O3'   55.00  115.00   91.34   89.90   89.39    .  . 0 "[    .    1    .]" 
       200 . 1  5 U C5' 1  5 U C4' 1  5 U C3' 1  5 U O3'   55.00  115.00   91.60   88.30   93.88    .  . 0 "[    .    1    .]" 
       201 . 1  6 A C5' 1  6 A C4' 1  6 A C3' 1  6 A O3'   55.00  115.00   91.03   88.96   88.47    .  . 0 "[    .    1    .]" 
       202 . 1  7 C C5' 1  7 C C4' 1  7 C C3' 1  7 C O3'   55.00  115.00   95.14   91.34   99.31    .  . 0 "[    .    1    .]" 
       203 . 1  8 C C5' 1  8 C C4' 1  8 C C3' 1  8 C O3'   55.00  115.00   90.51   87.91   86.77    .  . 0 "[    .    1    .]" 
       204 . 1  9 A C5' 1  9 A C4' 1  9 A C3' 1  9 A O3'   55.00  115.00   89.86   89.15   88.52    .  . 0 "[    .    1    .]" 
       205 . 1 10 U C5' 1 10 U C4' 1 10 U C3' 1 10 U O3'   55.00  175.00   95.36   89.64  100.35    .  . 0 "[    .    1    .]" 
       206 . 1 11 G C5' 1 11 G C4' 1 11 G C3' 1 11 G O3'   55.00  115.00   91.15   92.09   91.71    .  . 0 "[    .    1    .]" 
       207 . 1 12 U C5' 1 12 U C4' 1 12 U C3' 1 12 U O3'   55.00  115.00   95.96   93.90   93.09    .  . 0 "[    .    1    .]" 
       208 . 1 13 U C5' 1 13 U C4' 1 13 U C3' 1 13 U O3'   55.00  115.00   94.21   94.66   93.67    .  . 0 "[    .    1    .]" 
       209 . 1 14 C C5' 1 14 C C4' 1 14 C C3' 1 14 C O3'   55.00  115.00   91.66   94.72   92.84    .  . 0 "[    .    1    .]" 
       210 . 1 15 A C5' 1 15 A C4' 1 15 A C3' 1 15 A O3'   55.00  175.00   95.04   90.38   99.16    .  . 0 "[    .    1    .]" 
       211 . 1 16 G C5' 1 16 G C4' 1 16 G C3' 1 16 G O3'  115.00  175.00  124.97  116.17  144.17    .  . 0 "[    .    1    .]" 
       212 . 1 17 A C5' 1 17 A C4' 1 17 A C3' 1 17 A O3'  115.00  175.00  134.60  141.27  124.98 0.71  1 0 "[    .    1    .]" 
       213 . 1 18 A C5' 1 18 A C4' 1 18 A C3' 1 18 A O3'   55.00  175.00   98.01  103.93  101.37    .  . 0 "[    .    1    .]" 
       214 . 1 19 G C5' 1 19 G C4' 1 19 G C3' 1 19 G O3'   55.00  175.00   92.41   89.39   99.59    .  . 0 "[    .    1    .]" 
       215 . 1 20 A C5' 1 20 A C4' 1 20 A C3' 1 20 A O3'   55.00  115.00   99.82   92.86  108.61    .  . 0 "[    .    1    .]" 
       216 . 1 21 A C5' 1 21 A C4' 1 21 A C3' 1 21 A O3'   55.00  115.00   95.46   91.68  101.10    .  . 0 "[    .    1    .]" 
       217 . 1 22 C C5' 1 22 C C4' 1 22 C C3' 1 22 C O3'   55.00  115.00   94.81   94.23   93.86    .  . 0 "[    .    1    .]" 
       218 . 1 23 G C5' 1 23 G C4' 1 23 G C3' 1 23 G O3'   55.00  175.00   89.11   86.52   91.37    .  . 0 "[    .    1    .]" 
       219 . 1 24 U C5' 1 24 U C4' 1 24 U C3' 1 24 U O3'   55.00  115.00   94.71   89.73  102.55    .  . 0 "[    .    1    .]" 
       220 . 1 25 G C5' 1 25 G C4' 1 25 G C3' 1 25 G O3'   55.00  115.00   89.44   84.51  104.94    .  . 0 "[    .    1    .]" 
       221 . 1 26 G C5' 1 26 G C4' 1 26 G C3' 1 26 G O3'   55.00  115.00   90.77   90.95   90.65    .  . 0 "[    .    1    .]" 
       222 . 1 27 U C5' 1 27 U C4' 1 27 U C3' 1 27 U O3'   55.00  115.00   92.21   91.61   91.47    .  . 0 "[    .    1    .]" 
       223 . 1 28 A C5' 1 28 A C4' 1 28 A C3' 1 28 A O3'   55.00  115.00   98.15   94.96   93.46    .  . 0 "[    .    1    .]" 
       224 . 1 29 U C5' 1 29 U C4' 1 29 U C3' 1 29 U O3'   55.00  115.00   90.27   88.32   93.15    .  . 0 "[    .    1    .]" 
       225 . 1 30 C C5' 1 30 C C4' 1 30 C C3' 1 30 C O3'   55.00  115.00   85.77   84.93   84.33    .  . 0 "[    .    1    .]" 
       226 . 1 31 U C5' 1 31 U C4' 1 31 U C3' 1 31 U O3'   55.00  115.00   91.43   85.87   98.33    .  . 0 "[    .    1    .]" 
       227 . 1 32 C C5' 1 32 C C4' 1 32 C C3' 1 32 C O3'   55.00  115.00   84.28   84.72   84.34    .  . 0 "[    .    1    .]" 
    stop_

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