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
572269 2miy 19698 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2miy


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              219
    _TA_constraint_stats_list.Viol_count                    448
    _TA_constraint_stats_list.Viol_total                    6463.50
    _TA_constraint_stats_list.Viol_max                      6.49
    _TA_constraint_stats_list.Viol_rms                      0.43
    _TA_constraint_stats_list.Viol_average_all_restraints   0.09
    _TA_constraint_stats_list.Viol_average_violations_only  0.80
    _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  2 C O3' 1  3 U P   1  3 U O5' 1  3 U C5'  -92.10  -32.10  -84.84  -85.87  -87.31 0.38  8 0 "[    .    1    .   ]" 
         2 . 1  3 U O3' 1  4 U P   1  4 U O5' 1  4 U C5'  -92.10  -32.10  -67.88  -75.55  -62.82    .  . 0 "[    .    1    .   ]" 
         3 . 1  4 U O3' 1  5 G P   1  5 G O5' 1  5 G C5'  -92.10  -32.10  -68.54  -74.27  -60.41    .  . 0 "[    .    1    .   ]" 
         4 . 1  5 G O3' 1  6 G P   1  6 G O5' 1  6 G C5'  -92.10  -32.10  -51.99  -59.83  -42.44    .  . 0 "[    .    1    .   ]" 
         5 . 1  6 G O3' 1  7 U P   1  7 U O5' 1  7 U C5'  -92.10  -32.10  -31.84  -31.87  -31.90 0.54  3 0 "[    .    1    .   ]" 
         6 . 1  7 U O3' 1  8 G P   1  8 G O5' 1  8 G C5'  -92.10  -32.10  -73.91  -92.39  -37.35 0.29 16 0 "[    .    1    .   ]" 
         7 . 1 21 C O3' 1 22 A P   1 22 A O5' 1 22 A C5'  -92.10  -32.10  -70.01  -79.89  -82.09    .  . 0 "[    .    1    .   ]" 
         8 . 1 22 A O3' 1 23 C P   1 23 C O5' 1 23 C C5'  -92.10  -32.10  -43.07  -46.65  -49.88 0.08  5 0 "[    .    1    .   ]" 
         9 . 1 23 C O3' 1 24 C P   1 24 C O5' 1 24 C C5'  -92.10  -32.10  -88.80  -92.24  -80.47 0.14  2 0 "[    .    1    .   ]" 
        10 . 1 24 C O3' 1 25 A P   1 25 A O5' 1 25 A C5'  -92.10  -32.10  -74.63  -92.11  -51.91 0.01 16 0 "[    .    1    .   ]" 
        11 . 1 25 A O3' 1 26 A P   1 26 A O5' 1 26 A C5'  -92.10  -32.10  -70.62  -57.15  -61.75    .  . 0 "[    .    1    .   ]" 
        12 . 1 26 A O3' 1 27 G P   1 27 G O5' 1 27 G C5'  -92.10  -32.10  -85.77  -81.64  -82.61 0.20 11 0 "[    .    1    .   ]" 
        13 . 1 38 G O3' 1 39 C P   1 39 C O5' 1 39 C C5'  -92.10  -32.10  -81.82  -92.16  -64.60 0.06  6 0 "[    .    1    .   ]" 
        14 . 1 39 C O3' 1 40 G P   1 40 G O5' 1 40 G C5'  -92.10  -32.10  -57.92  -53.31  -53.63 0.31 14 0 "[    .    1    .   ]" 
        15 . 1 40 G O3' 1 41 G P   1 41 G O5' 1 41 G C5'  -92.10  -32.10  -84.23  -95.93  -62.63 3.83 14 0 "[    .    1    .   ]" 
        16 . 1 46 C O3' 1 47 C P   1 47 C O5' 1 47 C C5'  -92.10  -32.10  -71.13  -67.49  -70.56 0.24 18 0 "[    .    1    .   ]" 
        17 . 1 47 C O3' 1 48 G P   1 48 G O5' 1 48 G C5'  -92.10  -32.10  -50.75  -75.52  -31.96 0.14 15 0 "[    .    1    .   ]" 
        18 . 1 48 G O3' 1 49 C P   1 49 C O5' 1 49 C C5'  -92.10  -32.10  -77.92  -91.81  -36.95    .  . 0 "[    .    1    .   ]" 
        19 . 1  2 C P   1  2 C O5' 1  2 C C5' 1  2 C C4'  150.10 -149.90  167.33  148.97  178.73 1.13  7 0 "[    .    1    .   ]" 
        20 . 1  3 U P   1  3 U O5' 1  3 U C5' 1  3 U C4'  150.10 -149.90 -160.47 -157.45 -159.27 0.11 17 0 "[    .    1    .   ]" 
        21 . 1  4 U P   1  4 U O5' 1  4 U C5' 1  4 U C4'  150.10 -149.90  178.10  178.17  176.82    .  . 0 "[    .    1    .   ]" 
        22 . 1  5 G P   1  5 G O5' 1  5 G C5' 1  5 G C4'  150.10 -149.90  155.79  152.92  150.00 0.12  1 0 "[    .    1    .   ]" 
        23 . 1  6 G P   1  6 G O5' 1  6 G C5' 1  6 G C4'  150.10 -149.90  150.24  149.62  153.84 0.48  5 0 "[    .    1    .   ]" 
        24 . 1  7 U P   1  7 U O5' 1  7 U C5' 1  7 U C4'  150.10 -149.90  160.40  158.64  161.46    .  . 0 "[    .    1    .   ]" 
        25 . 1  8 G P   1  8 G O5' 1  8 G C5' 1  8 G C4'  150.10 -149.90  167.84  157.30 -170.37    .  . 0 "[    .    1    .   ]" 
        26 . 1 21 C P   1 21 C O5' 1 21 C C5' 1 21 C C4'  150.10 -149.90 -159.59 -166.35 -152.26    .  . 0 "[    .    1    .   ]" 
        27 . 1 22 A P   1 22 A O5' 1 22 A C5' 1 22 A C4'  150.10 -149.90  177.51  157.83 -170.91    .  . 0 "[    .    1    .   ]" 
        28 . 1 23 C P   1 23 C O5' 1 23 C C5' 1 23 C C4'  162.70 -137.30  164.51  162.53  172.28 0.17 11 0 "[    .    1    .   ]" 
        29 . 1 24 C P   1 24 C O5' 1 24 C C5' 1 24 C C4'  150.10 -149.90  176.39  168.47 -178.08    .  . 0 "[    .    1    .   ]" 
        30 . 1 25 A P   1 25 A O5' 1 25 A C5' 1 25 A C4'  150.10 -149.90  179.90  176.26 -177.07    .  . 0 "[    .    1    .   ]" 
        31 . 1 26 A P   1 26 A O5' 1 26 A C5' 1 26 A C4'  150.10 -149.90  162.64  152.82  178.00    .  . 0 "[    .    1    .   ]" 
        32 . 1 27 G P   1 27 G O5' 1 27 G C5' 1 27 G C4'  150.10 -149.90  172.62  172.10  170.85    .  . 0 "[    .    1    .   ]" 
        33 . 1 38 G P   1 38 G O5' 1 38 G C5' 1 38 G C4'  150.10 -149.90  166.54  175.26  171.50 1.01  5 0 "[    .    1    .   ]" 
        34 . 1 39 C P   1 39 C O5' 1 39 C C5' 1 39 C C4'  150.10 -149.90  169.96  167.58  167.25    .  . 0 "[    .    1    .   ]" 
        35 . 1 40 G P   1 40 G O5' 1 40 G C5' 1 40 G C4'  150.10 -149.90  154.78  149.82  171.22 0.28 14 0 "[    .    1    .   ]" 
        36 . 1 41 G P   1 41 G O5' 1 41 G C5' 1 41 G C4'  150.10 -149.90  171.65  173.68  171.39 1.42 14 0 "[    .    1    .   ]" 
        37 . 1 46 C P   1 46 C O5' 1 46 C C5' 1 46 C C4'  150.10 -149.90  156.08  162.15  158.59 1.07 13 0 "[    .    1    .   ]" 
        38 . 1 47 C P   1 47 C O5' 1 47 C C5' 1 47 C C4'  150.10 -149.90  170.83  150.07 -166.51 0.03  6 0 "[    .    1    .   ]" 
        39 . 1 48 G P   1 48 G O5' 1 48 G C5' 1 48 G C4'  150.10 -149.90  175.36  174.79  166.67    .  . 0 "[    .    1    .   ]" 
        40 . 1 49 C P   1 49 C O5' 1 49 C C5' 1 49 C C4'  150.10 -149.90  167.78  153.20  174.35    .  . 0 "[    .    1    .   ]" 
        41 . 1  2 C O5' 1  2 C C5' 1  2 C C4' 1  2 C C3'   17.44   77.44   73.76   50.85   78.86 1.42 17 0 "[    .    1    .   ]" 
        42 . 1  3 U O5' 1  3 U C5' 1  3 U C4' 1  3 U C3'   17.44   77.44   61.48   52.22   69.03    .  . 0 "[    .    1    .   ]" 
        43 . 1  4 U O5' 1  4 U C5' 1  4 U C4' 1  4 U C3'   17.44   77.44   33.07   34.46   33.62    .  . 0 "[    .    1    .   ]" 
        44 . 1  5 G O5' 1  5 G C5' 1  5 G C4' 1  5 G C3'   17.44   77.44   77.20   71.93   78.15 0.71 10 0 "[    .    1    .   ]" 
        45 . 1  6 G O5' 1  6 G C5' 1  6 G C4' 1  6 G C3'   17.44   77.44   49.60   51.72   50.47    .  . 0 "[    .    1    .   ]" 
        46 . 1  7 U O5' 1  7 U C5' 1  7 U C4' 1  7 U C3'   17.44   77.44   31.72   33.58   32.63    .  . 0 "[    .    1    .   ]" 
        47 . 1  8 G O5' 1  8 G C5' 1  8 G C4' 1  8 G C3'   17.44   77.44   58.04   52.85   48.25    .  . 0 "[    .    1    .   ]" 
        48 . 1 21 C O5' 1 21 C C5' 1 21 C C4' 1 21 C C3'   17.44   77.44   49.58   52.73   49.27    .  . 0 "[    .    1    .   ]" 
        49 . 1 22 A O5' 1 22 A C5' 1 22 A C4' 1 22 A C3'   17.44   77.44   47.60   38.53   54.04    .  . 0 "[    .    1    .   ]" 
        50 . 1 23 C O5' 1 23 C C5' 1 23 C C4' 1 23 C C3'   17.44   77.44   24.17   18.25   35.16    .  . 0 "[    .    1    .   ]" 
        51 . 1 24 C O5' 1 24 C C5' 1 24 C C4' 1 24 C C3'   17.44   77.44   76.70   77.20   77.08 0.24 17 0 "[    .    1    .   ]" 
        52 . 1 25 A O5' 1 25 A C5' 1 25 A C4' 1 25 A C3'   17.44   77.44   51.66   64.09   58.28    .  . 0 "[    .    1    .   ]" 
        53 . 1 26 A O5' 1 26 A C5' 1 26 A C4' 1 26 A C3'   17.44   77.44   71.76   60.03   77.62 0.18 12 0 "[    .    1    .   ]" 
        54 . 1 27 G O5' 1 27 G C5' 1 27 G C4' 1 27 G C3'   17.44   77.44   72.31   62.37   77.70 0.26 14 0 "[    .    1    .   ]" 
        55 . 1 38 G O5' 1 38 G C5' 1 38 G C4' 1 38 G C3'   17.44   77.44   74.60   67.82   78.02 0.58 15 0 "[    .    1    .   ]" 
        56 . 1 39 C O5' 1 39 C C5' 1 39 C C4' 1 39 C C3'   17.44   77.44   76.76   77.69   77.64 0.88 17 0 "[    .    1    .   ]" 
        57 . 1 40 G O5' 1 40 G C5' 1 40 G C4' 1 40 G C3'   17.44   77.44   60.93   60.29   59.64    .  . 0 "[    .    1    .   ]" 
        58 . 1 41 G O5' 1 41 G C5' 1 41 G C4' 1 41 G C3'   17.44   77.44   62.80   13.41   77.68 4.03 14 0 "[    .    1    .   ]" 
        59 . 1 46 C O5' 1 46 C C5' 1 46 C C4' 1 46 C C3'   17.44   77.44   64.39   76.99   65.66 1.27 16 0 "[    .    1    .   ]" 
        60 . 1 47 C O5' 1 47 C C5' 1 47 C C4' 1 47 C C3'   17.44   77.44   74.66   76.27   74.53 1.83 12 0 "[    .    1    .   ]" 
        61 . 1 48 G O5' 1 48 G C5' 1 48 G C4' 1 48 G C3'   17.44   77.44   25.37   16.67   51.34 0.77 13 0 "[    .    1    .   ]" 
        62 . 1 49 C O5' 1 49 C C5' 1 49 C C4' 1 49 C C3'   17.44   77.44   68.05   75.38   72.73 0.59  7 0 "[    .    1    .   ]" 
        63 . 1  2 C C3' 1  2 C O3' 1  3 U P   1  3 U O5' -103.60  -43.60  -79.50  -94.99  -74.89    .  . 0 "[    .    1    .   ]" 
        64 . 1  3 U C3' 1  3 U O3' 1  4 U P   1  4 U O5' -103.60  -43.60  -82.98  -82.55  -83.55    .  . 0 "[    .    1    .   ]" 
        65 . 1  4 U C3' 1  4 U O3' 1  5 G P   1  5 G O5' -103.60  -43.60  -65.34  -68.29  -69.23    .  . 0 "[    .    1    .   ]" 
        66 . 1  5 G C3' 1  5 G O3' 1  6 G P   1  6 G O5' -103.60  -43.60  -90.00  -97.45  -85.38    .  . 0 "[    .    1    .   ]" 
        67 . 1  6 G C3' 1  6 G O3' 1  7 U P   1  7 U O5' -103.60  -43.60  -89.08  -90.07  -88.02    .  . 0 "[    .    1    .   ]" 
        68 . 1  7 U C3' 1  7 U O3' 1  8 G P   1  8 G O5' -103.60  -43.60  -74.77  -90.91  -64.12    .  . 0 "[    .    1    .   ]" 
        69 . 1 21 C C3' 1 21 C O3' 1 22 A P   1 22 A O5' -103.60  -43.60  -53.76  -74.15  -43.38 0.22 14 0 "[    .    1    .   ]" 
        70 . 1 22 A C3' 1 22 A O3' 1 23 C P   1 23 C O5' -103.60  -43.60  -98.00 -103.09  -90.38    .  . 0 "[    .    1    .   ]" 
        71 . 1 23 C C3' 1 23 C O3' 1 24 C P   1 24 C O5' -103.60  -43.60  -43.92  -44.48  -45.68 0.34  8 0 "[    .    1    .   ]" 
        72 . 1 24 C C3' 1 24 C O3' 1 25 A P   1 25 A O5' -103.60  -43.60  -85.17  -81.57  -82.86    .  . 0 "[    .    1    .   ]" 
        73 . 1 25 A C3' 1 25 A O3' 1 26 A P   1 26 A O5' -103.60  -43.60  -64.11  -71.08  -57.56    .  . 0 "[    .    1    .   ]" 
        74 . 1 26 A C3' 1 26 A O3' 1 27 G P   1 27 G O5' -103.60  -43.60  -70.78  -74.40  -74.98    .  . 0 "[    .    1    .   ]" 
        75 . 1 38 G C3' 1 38 G O3' 1 39 C P   1 39 C O5' -103.60  -43.60  -68.86  -74.57  -75.49    .  . 0 "[    .    1    .   ]" 
        76 . 1 39 C C3' 1 39 C O3' 1 40 G P   1 40 G O5' -103.60  -43.60  -76.01  -96.89  -60.87    .  . 0 "[    .    1    .   ]" 
        77 . 1 40 G C3' 1 40 G O3' 1 41 G P   1 41 G O5' -103.60  -43.60  -83.73  -93.70  -95.73    .  . 0 "[    .    1    .   ]" 
        78 . 1 46 C C3' 1 46 C O3' 1 47 C P   1 47 C O5' -103.60  -43.60  -53.10  -66.54  -41.76 1.84 16 0 "[    .    1    .   ]" 
        79 . 1 47 C C3' 1 47 C O3' 1 48 G P   1 48 G O5' -103.60  -43.60  -74.10  -76.33  -85.39    .  . 0 "[    .    1    .   ]" 
        80 . 1 48 G C3' 1 48 G O3' 1 49 C P   1 49 C O5' -103.60  -43.60  -64.92  -81.53  -58.84    .  . 0 "[    .    1    .   ]" 
        81 . 1  2 C C1' 1  2 C C2' 1  2 C C3' 1  2 C C4'    7.27   67.27   18.90   20.56   18.91    .  . 0 "[    .    1    .   ]" 
        82 . 1  3 U C1' 1  3 U C2' 1  3 U C3' 1  3 U C4'    7.27   67.27    7.83    6.84   10.57 0.43  8 0 "[    .    1    .   ]" 
        83 . 1  4 U C1' 1  4 U C2' 1  4 U C3' 1  4 U C4'    7.27   67.27   39.69   38.86   38.51    .  . 0 "[    .    1    .   ]" 
        84 . 1  5 G C1' 1  5 G C2' 1  5 G C3' 1  5 G C4'    7.27   67.27   43.15   42.65   42.59    .  . 0 "[    .    1    .   ]" 
        85 . 1  6 G C1' 1  6 G C2' 1  6 G C3' 1  6 G C4'    7.27   67.27   41.28   40.68   40.40    .  . 0 "[    .    1    .   ]" 
        86 . 1  7 U C1' 1  7 U C2' 1  7 U C3' 1  7 U C4'    7.27   67.27   37.74   33.11   41.45    .  . 0 "[    .    1    .   ]" 
        87 . 1  8 G C1' 1  8 G C2' 1  8 G C3' 1  8 G C4'    7.27   67.27   28.07    7.30   39.94    .  . 0 "[    .    1    .   ]" 
        88 . 1 21 C C1' 1 21 C C2' 1 21 C C3' 1 21 C C4'    7.27   67.27   32.94   29.78   36.01    .  . 0 "[    .    1    .   ]" 
        89 . 1 22 A C1' 1 22 A C2' 1 22 A C3' 1 22 A C4'    7.27   67.27   12.77   10.70    8.28    .  . 0 "[    .    1    .   ]" 
        90 . 1 23 C C1' 1 23 C C2' 1 23 C C3' 1 23 C C4'    7.27   67.27   33.93   34.53   34.19    .  . 0 "[    .    1    .   ]" 
        91 . 1 24 C C1' 1 24 C C2' 1 24 C C3' 1 24 C C4'    7.27   67.27   12.06    7.19   19.73 0.08 17 0 "[    .    1    .   ]" 
        92 . 1 25 A C1' 1 25 A C2' 1 25 A C3' 1 25 A C4'    7.27   67.27   30.82   27.06   35.98    .  . 0 "[    .    1    .   ]" 
        93 . 1 26 A C1' 1 26 A C2' 1 26 A C3' 1 26 A C4'    7.27   67.27    9.70    6.59   30.47 0.68  2 0 "[    .    1    .   ]" 
        94 . 1 27 G C1' 1 27 G C2' 1 27 G C3' 1 27 G C4'    7.27   67.27   18.19    6.95   32.35 0.32 17 0 "[    .    1    .   ]" 
        95 . 1 38 G C1' 1 38 G C2' 1 38 G C3' 1 38 G C4'    7.27   67.27   33.18   29.94   41.19    .  . 0 "[    .    1    .   ]" 
        96 . 1 39 C C1' 1 39 C C2' 1 39 C C3' 1 39 C C4'    7.27   67.27   34.59   35.69   34.47    .  . 0 "[    .    1    .   ]" 
        97 . 1 40 G C1' 1 40 G C2' 1 40 G C3' 1 40 G C4'    7.27   67.27   13.68    8.08    7.22 0.83  9 0 "[    .    1    .   ]" 
        98 . 1 41 G C1' 1 41 G C2' 1 41 G C3' 1 41 G C4'    7.27   67.27   28.29    5.15   35.52 2.12 14 0 "[    .    1    .   ]" 
        99 . 1 46 C C1' 1 46 C C2' 1 46 C C3' 1 46 C C4'    7.27   67.27   28.67   36.97   36.24 6.49 16 3 "[    .    1 -  .+ *]" 
       100 . 1 47 C C1' 1 47 C C2' 1 47 C C3' 1 47 C C4'    7.27   67.27   33.02   31.41   31.26    .  . 0 "[    .    1    .   ]" 
       101 . 1 48 G C1' 1 48 G C2' 1 48 G C3' 1 48 G C4'    7.27   67.27   32.18   26.99   40.17    .  . 0 "[    .    1    .   ]" 
       102 . 1 49 C C1' 1 49 C C2' 1 49 C C3' 1 49 C C4'    7.27   67.27   37.58   36.19   35.01    .  . 0 "[    .    1    .   ]" 
       103 . 1  2 C C5' 1  2 C C4' 1  2 C C3' 1  2 C O3'   52.00  112.00   92.28   88.25  102.42    .  . 0 "[    .    1    .   ]" 
       104 . 1  3 U C5' 1  3 U C4' 1  3 U C3' 1  3 U O3'   52.00  112.00  110.38  110.81  110.48 0.32 17 0 "[    .    1    .   ]" 
       105 . 1  4 U C5' 1  4 U C4' 1  4 U C3' 1  4 U O3'   52.00  112.00   83.18   81.67   84.73    .  . 0 "[    .    1    .   ]" 
       106 . 1  5 G C5' 1  5 G C4' 1  5 G C3' 1  5 G O3'   52.00  112.00   80.17   78.67   81.67    .  . 0 "[    .    1    .   ]" 
       107 . 1  6 G C5' 1  6 G C4' 1  6 G C3' 1  6 G O3'   52.00  112.00   82.27   81.32   80.88    .  . 0 "[    .    1    .   ]" 
       108 . 1  7 U C5' 1  7 U C4' 1  7 U C3' 1  7 U O3'   52.00  112.00   95.42   97.67   96.10    .  . 0 "[    .    1    .   ]" 
       109 . 1  8 G C5' 1  8 G C4' 1  8 G C3' 1  8 G O3'   52.00  112.00   95.75   99.89   98.68    .  . 0 "[    .    1    .   ]" 
       110 . 1  9 C C5' 1  9 C C4' 1  9 C C3' 1  9 C O3'  115.00  175.00  139.51  146.08  145.35 0.67 18 0 "[    .    1    .   ]" 
       111 . 1 10 U C5' 1 10 U C4' 1 10 U C3' 1 10 U O3'   52.00  112.00   90.51   83.28   98.85    .  . 0 "[    .    1    .   ]" 
       112 . 1 11 U C5' 1 11 U C4' 1 11 U C3' 1 11 U O3'   52.00  112.00   90.55   82.17  104.91    .  . 0 "[    .    1    .   ]" 
       113 . 1 12 A C5' 1 12 A C4' 1 12 A C3' 1 12 A O3'  115.00  175.00  136.62  113.98  160.27 1.02  7 0 "[    .    1    .   ]" 
       114 . 1 13 G C5' 1 13 G C4' 1 13 G C3' 1 13 G O3'   95.00  155.00  118.58  105.93  148.72    .  . 0 "[    .    1    .   ]" 
       115 . 1 14 C C5' 1 14 C C4' 1 14 C C3' 1 14 C O3'   52.00  112.00   89.13   86.26   83.78    .  . 0 "[    .    1    .   ]" 
       116 . 1 15 U C5' 1 15 U C4' 1 15 U C3' 1 15 U O3'   52.00  112.00   98.62   88.07  112.38 0.38 10 0 "[    .    1    .   ]" 
       117 . 1 16 U C5' 1 16 U C4' 1 16 U C3' 1 16 U O3'   52.00  112.00   91.60   92.25   91.75    .  . 0 "[    .    1    .   ]" 
       118 . 1 17 C C5' 1 17 C C4' 1 17 C C3' 1 17 C O3'   52.00  112.00  101.49  102.14   99.41 0.32  5 0 "[    .    1    .   ]" 
       119 . 1 18 U C5' 1 18 U C4' 1 18 U C3' 1 18 U O3'   52.00  112.00  108.28  105.47  100.57 0.68 17 0 "[    .    1    .   ]" 
       120 . 1 19 U C5' 1 19 U C4' 1 19 U C3' 1 19 U O3'   52.00  112.00  110.08  112.70  112.42 1.34  6 0 "[    .    1    .   ]" 
       121 . 1 20 U C5' 1 20 U C4' 1 20 U C3' 1 20 U O3'   52.00  112.00   98.05   99.35   98.10    .  . 0 "[    .    1    .   ]" 
       122 . 1 21 C C5' 1 21 C C4' 1 21 C C3' 1 21 C O3'   52.00  112.00   93.60   90.58   97.62    .  . 0 "[    .    1    .   ]" 
       123 . 1 22 A C5' 1 22 A C4' 1 22 A C3' 1 22 A O3'   52.00  112.00   99.05   95.79  102.22    .  . 0 "[    .    1    .   ]" 
       124 . 1 23 C C5' 1 23 C C4' 1 23 C C3' 1 23 C O3'   52.00  112.00   90.56   90.57   90.00    .  . 0 "[    .    1    .   ]" 
       125 . 1 24 C C5' 1 24 C C4' 1 24 C C3' 1 24 C O3'   52.00  112.00   95.13   91.65   90.81    .  . 0 "[    .    1    .   ]" 
       126 . 1 25 A C5' 1 25 A C4' 1 25 A C3' 1 25 A O3'   52.00  112.00   90.48   87.60   93.11    .  . 0 "[    .    1    .   ]" 
       127 . 1 26 A C5' 1 26 A C4' 1 26 A C3' 1 26 A O3'   52.00  112.00   97.22   86.21   99.70    .  . 0 "[    .    1    .   ]" 
       128 . 1 27 G C5' 1 27 G C4' 1 27 G C3' 1 27 G O3'   52.00  112.00   93.74  100.35   99.81    .  . 0 "[    .    1    .   ]" 
       129 . 1 28 C C5' 1 28 C C4' 1 28 C C3' 1 28 C O3'   52.00  112.00   98.47   89.37  105.07    .  . 0 "[    .    1    .   ]" 
       130 . 1 29 A C5' 1 29 A C4' 1 29 A C3' 1 29 A O3'   95.00  155.00   94.43   93.29  100.82 1.71  5 0 "[    .    1    .   ]" 
       131 . 1 30 U C5' 1 30 U C4' 1 30 U C3' 1 30 U O3'  115.00  175.00  139.07  142.97  141.99 2.28 17 0 "[    .    1    .   ]" 
       132 . 1 31 A C5' 1 31 A C4' 1 31 A C3' 1 31 A O3'  115.00  175.00  114.54  114.22  114.10 2.87  8 0 "[    .    1    .   ]" 
       133 . 1 32 U C5' 1 32 U C4' 1 32 U C3' 1 32 U O3'  115.00  175.00  141.82  113.72  162.88 1.28  7 0 "[    .    1    .   ]" 
       134 . 1 33 U C5' 1 33 U C4' 1 33 U C3' 1 33 U O3'  115.00  175.00  126.13  114.92  143.50 0.08  8 0 "[    .    1    .   ]" 
       135 . 1 34 A C5' 1 34 A C4' 1 34 A C3' 1 34 A O3'  105.00  165.00  101.16  101.18  100.97 4.71 11 0 "[    .    1    .   ]" 
       136 . 1 35 C C5' 1 35 C C4' 1 35 C C3' 1 35 C O3'  115.00  175.00  141.47  160.25  140.17 0.04 16 0 "[    .    1    .   ]" 
       137 . 1 36 A C5' 1 36 A C4' 1 36 A C3' 1 36 A O3'   52.00  112.00   96.58  100.43   98.58    .  . 0 "[    .    1    .   ]" 
       138 . 1 37 C C5' 1 37 C C4' 1 37 C C3' 1 37 C O3'   52.00  112.00   91.23   83.68   96.74    .  . 0 "[    .    1    .   ]" 
       139 . 1 38 G C5' 1 38 G C4' 1 38 G C3' 1 38 G O3'   52.00  112.00   83.51   82.93   82.79    .  . 0 "[    .    1    .   ]" 
       140 . 1 39 C C5' 1 39 C C4' 1 39 C C3' 1 39 C O3'   52.00  112.00   87.54   82.94   91.17    .  . 0 "[    .    1    .   ]" 
       141 . 1 40 G C5' 1 40 G C4' 1 40 G C3' 1 40 G O3'   52.00  112.00   95.06   81.08   98.70    .  . 0 "[    .    1    .   ]" 
       142 . 1 41 G C5' 1 41 G C4' 1 41 G C3' 1 41 G O3'   52.00  112.00   92.60   86.18  100.05    .  . 0 "[    .    1    .   ]" 
       143 . 1 42 A C5' 1 42 A C4' 1 42 A C3' 1 42 A O3'   52.00  112.00  106.03   93.21  112.57 0.57 18 0 "[    .    1    .   ]" 
       144 . 1 43 U C5' 1 43 U C4' 1 43 U C3' 1 43 U O3'   95.00  155.00  117.79  127.95  105.68 1.63 14 0 "[    .    1    .   ]" 
       145 . 1 44 A C5' 1 44 A C4' 1 44 A C3' 1 44 A O3'   95.00  155.00  111.76   94.21  150.45 0.79  4 0 "[    .    1    .   ]" 
       146 . 1 45 A C5' 1 45 A C4' 1 45 A C3' 1 45 A O3'  115.00  175.00  145.06  114.29  165.47 0.71 12 0 "[    .    1    .   ]" 
       147 . 1 46 C C5' 1 46 C C4' 1 46 C C3' 1 46 C O3'   52.00  112.00   94.28   81.35  112.41 0.41 16 0 "[    .    1    .   ]" 
       148 . 1 47 C C5' 1 47 C C4' 1 47 C C3' 1 47 C O3'   52.00  112.00   87.79   81.79   93.34    .  . 0 "[    .    1    .   ]" 
       149 . 1 48 G C5' 1 48 G C4' 1 48 G C3' 1 48 G O3'   52.00  112.00   90.03   89.74   89.16    .  . 0 "[    .    1    .   ]" 
       150 . 1 49 C C5' 1 49 C C4' 1 49 C C3' 1 49 C O3'   52.00  112.00   81.88   79.85   84.84    .  . 0 "[    .    1    .   ]" 
       151 . 1 50 C C5' 1 50 C C4' 1 50 C C3' 1 50 C O3'  115.00  175.00  117.45  113.62  142.69 1.38 12 0 "[    .    1    .   ]" 
       152 . 1 51 A C5' 1 51 A C4' 1 51 A C3' 1 51 A O3'  115.00  175.00  143.24  144.79  144.28    .  . 0 "[    .    1    .   ]" 
       153 . 1 52 A C5' 1 52 A C4' 1 52 A C3' 1 52 A O3'   52.00  112.00  100.13   99.66   98.48    .  . 0 "[    .    1    .   ]" 
       154 . 1 53 A C5' 1 53 A C4' 1 53 A C3' 1 53 A O3'   52.00  112.00   96.67  109.28   96.07    .  . 0 "[    .    1    .   ]" 
       155 . 1 54 G C5' 1 54 G C4' 1 54 G C3' 1 54 G O3'   52.00  112.00   98.98   91.81  107.15    .  . 0 "[    .    1    .   ]" 
       156 . 1 55 G C5' 1 55 G C4' 1 55 G C3' 1 55 G O3'   52.00  112.00  106.70  104.48  103.36 0.22 16 0 "[    .    1    .   ]" 
       157 . 1 56 A C5' 1 56 A C4' 1 56 A C3' 1 56 A O3'   52.00  112.00   90.06   83.37   97.32    .  . 0 "[    .    1    .   ]" 
       158 . 1 57 G C5' 1 57 G C4' 1 57 G C3' 1 57 G O3'   52.00  112.00  106.16  105.54  101.99 0.36  5 0 "[    .    1    .   ]" 
       159 . 1 58 A C5' 1 58 A C4' 1 58 A C3' 1 58 A O3'   52.00  112.00   94.17   83.68  110.42    .  . 0 "[    .    1    .   ]" 
       160 . 1 59 A C5' 1 59 A C4' 1 59 A C3' 1 59 A O3'  105.00  165.00  128.88  104.90  154.80 0.10 13 0 "[    .    1    .   ]" 
       161 . 1  2 C O4' 1  2 C C1' 1  2 C N1  1  2 C C2   170.00 -130.00 -161.93  177.86 -146.31    .  . 0 "[    .    1    .   ]" 
       162 . 1  3 U O4' 1  3 U C1' 1  3 U N1  1  3 U C2   170.00 -130.00 -154.31 -156.16 -151.74    .  . 0 "[    .    1    .   ]" 
       163 . 1  4 U O4' 1  4 U C1' 1  4 U N1  1  4 U C2   170.00 -130.00 -150.39 -154.27 -147.64    .  . 0 "[    .    1    .   ]" 
       164 . 1  5 G O4' 1  5 G C1' 1  5 G N9  1  5 G C4   170.00 -130.00 -169.22 -173.03 -165.85    .  . 0 "[    .    1    .   ]" 
       165 . 1  6 G O4' 1  6 G C1' 1  6 G N9  1  6 G C4   170.00 -130.00 -168.31 -168.90 -169.09    .  . 0 "[    .    1    .   ]" 
       166 . 1  7 U O4' 1  7 U C1' 1  7 U N1  1  7 U C2   170.00 -130.00 -145.27 -147.93 -143.04    .  . 0 "[    .    1    .   ]" 
       167 . 1  8 G O4' 1  8 G C1' 1  8 G N9  1  8 G C4   170.00 -130.00 -142.97 -154.27 -129.67 0.33 13 0 "[    .    1    .   ]" 
       168 . 1  9 C O4' 1  9 C C1' 1  9 C N1  1  9 C C2  -147.00  -87.00 -116.97 -118.25 -119.74    .  . 0 "[    .    1    .   ]" 
       169 . 1 10 U O4' 1 10 U C1' 1 10 U N1  1 10 U C2   140.00 -100.00 -165.49 -164.52 -168.39    .  . 0 "[    .    1    .   ]" 
       170 . 1 11 U O4' 1 11 U C1' 1 11 U N1  1 11 U C2   170.00 -130.00 -148.24 -170.95 -129.68 0.32 14 0 "[    .    1    .   ]" 
       171 . 1 12 A O4' 1 12 A C1' 1 12 A N9  1 12 A C4  -151.00  -91.00 -122.75 -151.66  -90.64 0.66  9 0 "[    .    1    .   ]" 
       172 . 1 13 G O4' 1 13 G C1' 1 13 G N9  1 13 G C4  -160.00 -100.00 -159.93 -162.78 -154.16 2.78 13 0 "[    .    1    .   ]" 
       173 . 1 14 C O4' 1 14 C C1' 1 14 C N1  1 14 C C2   170.00 -130.00 -147.92 -146.16 -147.35 0.15  7 0 "[    .    1    .   ]" 
       174 . 1 15 U O4' 1 15 U C1' 1 15 U N1  1 15 U C2   170.00 -130.00 -166.21 -170.13 -172.72    .  . 0 "[    .    1    .   ]" 
       175 . 1 16 U O4' 1 16 U C1' 1 16 U N1  1 16 U C2   170.00 -130.00 -174.98  170.33 -168.14    .  . 0 "[    .    1    .   ]" 
       176 . 1 17 C O4' 1 17 C C1' 1 17 C N1  1 17 C C2   170.00 -130.00 -167.57 -169.82 -175.64    .  . 0 "[    .    1    .   ]" 
       177 . 1 18 U O4' 1 18 U C1' 1 18 U N1  1 18 U C2   170.00 -130.00 -151.07  178.42 -135.77    .  . 0 "[    .    1    .   ]" 
       178 . 1 19 U O4' 1 19 U C1' 1 19 U N1  1 19 U C2   170.00 -130.00 -137.55 -129.14 -129.23 1.85 14 0 "[    .    1    .   ]" 
       179 . 1 20 U O4' 1 20 U C1' 1 20 U N1  1 20 U C2   170.00 -130.00  177.15  172.13 -178.29    .  . 0 "[    .    1    .   ]" 
       180 . 1 21 C O4' 1 21 C C1' 1 21 C N1  1 21 C C2   140.00 -100.00 -160.22 -162.85 -157.21    .  . 0 "[    .    1    .   ]" 
       181 . 1 22 A O4' 1 22 A C1' 1 22 A N9  1 22 A C4   170.00 -130.00 -147.68 -148.88 -149.14    .  . 0 "[    .    1    .   ]" 
       182 . 1 23 C O4' 1 23 C C1' 1 23 C N1  1 23 C C2   170.00 -130.00 -142.39 -145.12 -145.93    .  . 0 "[    .    1    .   ]" 
       183 . 1 24 C O4' 1 24 C C1' 1 24 C N1  1 24 C C2   170.00 -130.00 -154.69 -156.94 -151.32    .  . 0 "[    .    1    .   ]" 
       184 . 1 25 A O4' 1 25 A C1' 1 25 A N9  1 25 A C4   170.00 -130.00 -148.25 -153.59 -144.28    .  . 0 "[    .    1    .   ]" 
       185 . 1 26 A O4' 1 26 A C1' 1 26 A N9  1 26 A C4   170.00 -130.00 -158.70 -162.18 -154.38    .  . 0 "[    .    1    .   ]" 
       186 . 1 27 G O4' 1 27 G C1' 1 27 G N9  1 27 G C4   170.00 -130.00 -156.21 -164.46 -150.68    .  . 0 "[    .    1    .   ]" 
       187 . 1 28 C O4' 1 28 C C1' 1 28 C N1  1 28 C C2   170.00 -130.00 -164.50 -165.54 -166.24    .  . 0 "[    .    1    .   ]" 
       188 . 1 29 A O4' 1 29 A C1' 1 29 A N9  1 29 A C4  -160.00 -100.00 -160.74 -163.95 -154.38 3.95 17 0 "[    .    1    .   ]" 
       189 . 1 30 U O4' 1 30 U C1' 1 30 U N1  1 30 U C2  -147.00  -87.00 -131.25 -145.96 -120.91    .  . 0 "[    .    1    .   ]" 
       190 . 1 31 A O4' 1 31 A C1' 1 31 A N9  1 31 A C4   173.00  -67.00 -154.11 -170.47 -129.21    .  . 0 "[    .    1    .   ]" 
       191 . 1 32 U O4' 1 32 U C1' 1 32 U N1  1 32 U C2  -155.00  -95.00 -126.67 -115.53 -115.92 1.76 17 0 "[    .    1    .   ]" 
       192 . 1 33 U O4' 1 33 U C1' 1 33 U N1  1 33 U C2  -155.00  -95.00 -125.17 -149.01 -110.63    .  . 0 "[    .    1    .   ]" 
       193 . 1 34 A O4' 1 34 A C1' 1 34 A N9  1 34 A C4  -152.00  -92.00 -128.47 -128.93 -153.72 6.48 13 1 "[    .    1  + .   ]" 
       194 . 1 35 C O4' 1 35 C C1' 1 35 C N1  1 35 C C2  -150.00  -90.00 -145.85 -151.21 -152.74 4.26  1 0 "[    .    1    .   ]" 
       195 . 1 36 A O4' 1 36 A C1' 1 36 A N9  1 36 A C4   170.00 -130.00 -151.97 -160.99 -136.82    .  . 0 "[    .    1    .   ]" 
       196 . 1 37 C O4' 1 37 C C1' 1 37 C N1  1 37 C C2   170.00 -130.00 -156.66 -158.13 -162.35    .  . 0 "[    .    1    .   ]" 
       197 . 1 38 G O4' 1 38 G C1' 1 38 G N9  1 38 G C4   140.00 -100.00 -146.63 -148.06 -149.76    .  . 0 "[    .    1    .   ]" 
       198 . 1 39 C O4' 1 39 C C1' 1 39 C N1  1 39 C C2   140.00 -100.00 -153.75 -164.06 -147.57    .  . 0 "[    .    1    .   ]" 
       199 . 1 40 G O4' 1 40 G C1' 1 40 G N9  1 40 G C4   140.00 -100.00 -164.00 -177.31 -152.59    .  . 0 "[    .    1    .   ]" 
       200 . 1 41 G O4' 1 41 G C1' 1 41 G N9  1 41 G C4   140.00 -100.00 -156.07 -163.20 -167.76 0.05 14 0 "[    .    1    .   ]" 
       201 . 1 42 A O4' 1 42 A C1' 1 42 A N9  1 42 A C4   140.00 -100.00 -116.54 -115.42 -118.54 0.28 13 0 "[    .    1    .   ]" 
       202 . 1 43 U O4' 1 43 U C1' 1 43 U N1  1 43 U C2   165.00  -75.00 -157.98  175.42  -76.08    .  . 0 "[    .    1    .   ]" 
       203 . 1 44 A O4' 1 44 A C1' 1 44 A N9  1 44 A C4   160.00  -80.00 -133.90 -167.50  -99.04    .  . 0 "[    .    1    .   ]" 
       204 . 1 45 A O4' 1 45 A C1' 1 45 A N9  1 45 A C4   140.00 -100.00 -126.62 -116.59 -120.63 0.28 14 0 "[    .    1    .   ]" 
       205 . 1 46 C O4' 1 46 C C1' 1 46 C N1  1 46 C C2   140.00 -100.00 -166.98 -155.96 -156.53    .  . 0 "[    .    1    .   ]" 
       206 . 1 47 C O4' 1 47 C C1' 1 47 C N1  1 47 C C2   140.00 -100.00 -160.25 -172.71 -140.72    .  . 0 "[    .    1    .   ]" 
       207 . 1 48 G O4' 1 48 G C1' 1 48 G N9  1 48 G C4   140.00 -100.00 -136.43 -131.58 -132.97    .  . 0 "[    .    1    .   ]" 
       208 . 1 49 C O4' 1 49 C C1' 1 49 C N1  1 49 C C2   140.00 -100.00 -151.38 -156.88 -143.91    .  . 0 "[    .    1    .   ]" 
       209 . 1 50 C O4' 1 50 C C1' 1 50 C N1  1 50 C C2   165.00  -75.00 -173.63  174.24  168.79 2.72 17 0 "[    .    1    .   ]" 
       210 . 1 51 A O4' 1 51 A C1' 1 51 A N9  1 51 A C4  -177.00  -57.00 -118.32 -125.61 -112.80    .  . 0 "[    .    1    .   ]" 
       211 . 1 52 A O4' 1 52 A C1' 1 52 A N9  1 52 A C4   140.00 -100.00 -156.10 -161.59 -151.57    .  . 0 "[    .    1    .   ]" 
       212 . 1 53 A O4' 1 53 A C1' 1 53 A N9  1 53 A C4   140.00 -100.00 -158.73 -170.71 -147.91    .  . 0 "[    .    1    .   ]" 
       213 . 1 54 G O4' 1 54 G C1' 1 54 G N9  1 54 G C4   140.00 -100.00  178.54  168.72 -160.92    .  . 0 "[    .    1    .   ]" 
       214 . 1 55 G O4' 1 55 G C1' 1 55 G N9  1 55 G C4   140.00 -100.00  171.77  170.68  167.17    .  . 0 "[    .    1    .   ]" 
       215 . 1 56 A O4' 1 56 A C1' 1 56 A N9  1 56 A C4   140.00 -100.00 -172.85  169.42 -147.21    .  . 0 "[    .    1    .   ]" 
       216 . 1 57 G O4' 1 57 G C1' 1 57 G N9  1 57 G C4   140.00 -100.00 -169.52  164.12 -132.47    .  . 0 "[    .    1    .   ]" 
       217 . 1 58 A O4' 1 58 A C1' 1 58 A N9  1 58 A C4   140.00 -100.00 -171.12  157.10 -115.70    .  . 0 "[    .    1    .   ]" 
       218 . 1 59 A O4' 1 59 A C1' 1 59 A N9  1 59 A C4   170.00  -70.00 -123.37  -86.68 -101.63    .  . 0 "[    .    1    .   ]" 
       219 . 1 32 U C4' 1 32 U C3' 1 32 U O3' 1 33 U P   -110.00  -50.00  -83.46  -68.04  -76.58 0.14 18 0 "[    .    1    .   ]" 
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