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
524526 2l4z 17265 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2l4z


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              35
    _TA_constraint_stats_list.Viol_count                    46
    _TA_constraint_stats_list.Viol_total                    880.10
    _TA_constraint_stats_list.Viol_max                      3.00
    _TA_constraint_stats_list.Viol_rms                      0.30
    _TA_constraint_stats_list.Viol_average_all_restraints   0.06
    _TA_constraint_stats_list.Viol_average_violations_only  0.96
    _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  59 LEU C 1  60 SER N 1  60 SER CA 1  60 SER C -100.00 -20.00  -92.08  -93.02  -94.19 0.99  1 0 "[    .    1    .    2]" 
        2 . 1  72 ALA C 1  73 ASP N 1  73 ASP CA 1  73 ASP C -100.00 -20.00  -82.47  -96.16  -66.54    .  . 0 "[    .    1    .    2]" 
        3 . 1  74 ARG C 1  75 PHE N 1  75 PHE CA 1  75 PHE C -100.00 -20.00  -99.48 -102.97  -92.01 2.97 20 0 "[    .    1    .    2]" 
        4 . 1  74 ARG C 1  75 PHE N 1  75 PHE CA 1  75 PHE C -180.00 -20.00  -99.48 -102.97  -92.01    .  . 0 "[    .    1    .    2]" 
        5 . 1  75 PHE C 1  76 LEU N 1  76 LEU CA 1  76 LEU C -100.00 -20.00  -97.98  -95.81  -97.29 1.38  3 0 "[    .    1    .    2]" 
        6 . 1  75 PHE C 1  76 LEU N 1  76 LEU CA 1  76 LEU C -180.00 -20.00  -97.98  -95.81  -97.29    .  . 0 "[    .    1    .    2]" 
        7 . 1  76 LEU C 1  77 LEU N 1  77 LEU CA 1  77 LEU C -160.00 -80.00 -119.18 -137.30 -107.95    .  . 0 "[    .    1    .    2]" 
        8 . 1  76 LEU C 1  77 LEU N 1  77 LEU CA 1  77 LEU C -180.00 -20.00 -119.18 -137.30 -107.95    .  . 0 "[    .    1    .    2]" 
        9 . 1  77 LEU C 1  78 TYR N 1  78 TYR CA 1  78 TYR C -160.00 -80.00 -104.68 -103.79 -106.79    .  . 0 "[    .    1    .    2]" 
       10 . 1  83 TYR C 1  84 TRP N 1  84 TRP CA 1  84 TRP C -160.00 -80.00 -126.26 -132.21 -134.27    .  . 0 "[    .    1    .    2]" 
       11 . 1  84 TRP C 1  85 HIS N 1  85 HIS CA 1  85 HIS C -160.00 -80.00 -135.92 -140.32 -145.66    .  . 0 "[    .    1    .    2]" 
       12 . 1  84 TRP C 1  85 HIS N 1  85 HIS CA 1  85 HIS C -180.00 -20.00 -135.92 -140.32 -145.66    .  . 0 "[    .    1    .    2]" 
       13 . 1  87 ARG C 1  88 CYS N 1  88 CYS CA 1  88 CYS C -100.00 -20.00  -96.34 -102.18  -79.17 2.18 17 0 "[    .    1    .    2]" 
       14 . 1  89 LEU C 1  90 LYS N 1  90 LYS CA 1  90 LYS C -160.00 -80.00 -138.40 -143.86 -144.47    .  . 0 "[    .    1    .    2]" 
       15 . 1  89 LEU C 1  90 LYS N 1  90 LYS CA 1  90 LYS C -180.00 -20.00 -138.40 -143.86 -144.47    .  . 0 "[    .    1    .    2]" 
       16 . 1  91 CYS C 1  92 SER N 1  92 SER CA 1  92 SER C -100.00 -20.00  -77.58  -80.51  -69.23    .  . 0 "[    .    1    .    2]" 
       17 . 1  92 SER C 1  93 SER N 1  93 SER CA 1  93 SER C -160.00 -80.00 -104.34 -103.95 -105.84    .  . 0 "[    .    1    .    2]" 
       18 . 1  96 ALA C 1  97 GLN N 1  97 GLN CA 1  97 GLN C -100.00 -20.00  -67.43  -80.97  -52.41    .  . 0 "[    .    1    .    2]" 
       19 . 1  96 ALA C 1  97 GLN N 1  97 GLN CA 1  97 GLN C -180.00 -20.00  -67.43  -80.97  -52.41    .  . 0 "[    .    1    .    2]" 
       20 . 1  99 GLY C 1 100 ASP N 1 100 ASP CA 1 100 ASP C -100.00 -20.00  -96.70 -101.98  -80.41 1.98  2 0 "[    .    1    .    2]" 
       21 . 1 102 GLY C 1 103 THR N 1 103 THR CA 1 103 THR C -100.00 -20.00  -88.48 -103.00  -69.62 3.00 19 0 "[    .    1    .    2]" 
       22 . 1 103 THR C 1 104 SER N 1 104 SER CA 1 104 SER C -100.00 -20.00  -70.54  -69.73  -72.42    .  . 0 "[    .    1    .    2]" 
       23 . 1 115 ARG C 1 116 ASN N 1 116 ASN CA 1 116 ASN C -100.00 -20.00  -77.08  -74.45  -76.38    .  . 0 "[    .    1    .    2]" 
       24 . 1 117 ASP C 1 118 TYR N 1 118 TYR CA 1 118 TYR C -100.00 -20.00  -59.47  -58.16  -58.47    .  . 0 "[    .    1    .    2]" 
       25 . 1 119 ILE C 1 120 ARG N 1 120 ARG CA 1 120 ARG C -100.00 -20.00  -70.96  -74.94  -75.37    .  . 0 "[    .    1    .    2]" 
       26 . 1  61 TRP C 1  62 LYS N 1  62 LYS CA 1  62 LYS C -180.00 -20.00 -123.26 -110.29 -114.89    .  . 0 "[    .    1    .    2]" 
       27 . 1  88 CYS C 1  89 LEU N 1  89 LEU CA 1  89 LEU C -180.00 -20.00  -77.19  -78.58  -79.85    .  . 0 "[    .    1    .    2]" 
       28 . 1  95 GLN C 1  96 ALA N 1  96 ALA CA 1  96 ALA C -180.00 -20.00  -77.76  -67.86  -73.68    .  . 0 "[    .    1    .    2]" 
       29 . 1 100 ASP C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -180.00 -20.00 -125.84 -148.36 -101.86    .  . 0 "[    .    1    .    2]" 
       30 . 1 104 SER C 1 105 SER N 1 105 SER CA 1 105 SER C -180.00 -20.00  -81.63 -113.36  -70.32    .  . 0 "[    .    1    .    2]" 
       31 . 1 105 SER C 1 106 TYR N 1 106 TYR CA 1 106 TYR C -180.00 -20.00 -122.77 -129.85 -131.21    .  . 0 "[    .    1    .    2]" 
       32 . 1 106 TYR C 1 107 THR N 1 107 THR CA 1 107 THR C -180.00 -20.00 -143.43 -158.05 -118.28    .  . 0 "[    .    1    .    2]" 
       33 . 1 107 THR C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -180.00 -20.00 -160.85 -159.55 -160.69    .  . 0 "[    .    1    .    2]" 
       34 . 1 112 ILE C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -180.00 -20.00 -128.30 -142.39 -116.56    .  . 0 "[    .    1    .    2]" 
       35 . 1 113 LEU C 1 114 CYS N 1 114 CYS CA 1 114 CYS C -180.00 -20.00  -74.58  -85.36  -65.01    .  . 0 "[    .    1    .    2]" 
    stop_

save_


save_dihedral_constraint_statistics_2
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              68
    _TA_constraint_stats_list.Viol_count                    150
    _TA_constraint_stats_list.Viol_total                    2546.19
    _TA_constraint_stats_list.Viol_max                      4.21
    _TA_constraint_stats_list.Viol_rms                      0.36
    _TA_constraint_stats_list.Viol_average_all_restraints   0.09
    _TA_constraint_stats_list.Viol_average_violations_only  0.85
    _TA_constraint_stats_list.Cutoff_violation_report       5.00
    _TA_constraint_stats_list.Details                       .

    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  61 TRP C 1  62 LYS N  1  62 LYS CA 1  62 LYS C -149.00  -51.00 -123.26 -110.29 -114.89    .  . 0 "[    .    1    .    2]" 
        2 . 1  62 LYS C 1  63 ARG N  1  63 ARG CA 1  63 ARG C -140.00  -64.00  -86.03 -125.49  -63.62 0.38 10 0 "[    .    1    .    2]" 
        3 . 1  63 ARG C 1  64 CYS N  1  64 CYS CA 1  64 CYS C -170.00  -22.00  -86.14 -107.72  -59.10    .  . 0 "[    .    1    .    2]" 
        4 . 1  69 GLY C 1  70 LYS N  1  70 LYS CA 1  70 LYS C -177.00  -15.00 -122.68 -100.42 -112.92    .  . 0 "[    .    1    .    2]" 
        5 . 1  70 LYS C 1  71 ILE N  1  71 ILE CA 1  71 ILE C -131.00  -37.00  -71.59  -76.35  -76.84    .  . 0 "[    .    1    .    2]" 
        6 . 1  75 PHE C 1  76 LEU N  1  76 LEU CA 1  76 LEU C  166.00  -94.00  -97.98  -95.81  -97.29 0.57 16 0 "[    .    1    .    2]" 
        7 . 1  76 LEU C 1  77 LEU N  1  77 LEU CA 1  77 LEU C -150.00 -110.00 -119.18 -137.30 -107.95 2.05 16 0 "[    .    1    .    2]" 
        8 . 1  77 LEU C 1  78 TYR N  1  78 TYR CA 1  78 TYR C -144.00  -92.00 -104.68 -103.79 -106.79 0.92 16 0 "[    .    1    .    2]" 
        9 . 1  81 ASP C 1  82 SER N  1  82 SER CA 1  82 SER C -160.00  -66.00 -102.80 -103.96 -106.17    .  . 0 "[    .    1    .    2]" 
       10 . 1  82 SER C 1  83 TYR N  1  83 TYR CA 1  83 TYR C -148.00  -74.00  -95.42  -91.42  -92.82    .  . 0 "[    .    1    .    2]" 
       11 . 1  83 TYR C 1  84 TRP N  1  84 TRP CA 1  84 TRP C -167.00 -101.00 -126.26 -132.21 -134.27    .  . 0 "[    .    1    .    2]" 
       12 . 1  85 HIS C 1  86 SER N  1  86 SER CA 1  86 SER C  -80.00  -40.00  -56.42  -70.15  -47.07    .  . 0 "[    .    1    .    2]" 
       13 . 1  89 LEU C 1  90 LYS N  1  90 LYS CA 1  90 LYS C -143.00  -85.00 -138.40 -143.86 -144.47 2.49 12 0 "[    .    1    .    2]" 
       14 . 1  90 LYS C 1  91 CYS N  1  91 CYS CA 1  91 CYS C  168.00  -34.00  -64.09  -68.83  -71.91    .  . 0 "[    .    1    .    2]" 
       15 . 1  91 CYS C 1  92 SER N  1  92 SER CA 1  92 SER C  -79.00  -39.00  -77.58  -80.51  -69.23 1.51  5 0 "[    .    1    .    2]" 
       16 . 1  92 SER C 1  93 SER N  1  93 SER CA 1  93 SER C -122.00  -46.00 -104.34 -103.95 -105.84    .  . 0 "[    .    1    .    2]" 
       17 . 1  93 SER C 1  94 CYS N  1  94 CYS CA 1  94 CYS C -124.00  -66.00 -104.55 -115.15  -80.42    .  . 0 "[    .    1    .    2]" 
       18 . 1  97 GLN C 1  98 LEU N  1  98 LEU CA 1  98 LEU C -105.00  -65.00  -79.10 -106.04  -64.80 1.04  8 0 "[    .    1    .    2]" 
       19 . 1 102 GLY C 1 103 THR N  1 103 THR CA 1 103 THR C -129.00  -41.00  -88.48 -103.00  -69.62    .  . 0 "[    .    1    .    2]" 
       20 . 1 104 SER C 1 105 SER N  1 105 SER CA 1 105 SER C  171.00  -71.00  -81.63 -113.36  -70.32 0.68  6 0 "[    .    1    .    2]" 
       21 . 1 105 SER C 1 106 TYR N  1 106 TYR CA 1 106 TYR C -165.00 -103.00 -122.77 -129.85 -131.21    .  . 0 "[    .    1    .    2]" 
       22 . 1 106 TYR C 1 107 THR N  1 107 THR CA 1 107 THR C -158.00 -100.00 -143.43 -158.05 -118.28 0.05 18 0 "[    .    1    .    2]" 
       23 . 1 109 SER C 1 110 GLY N  1 110 GLY CA 1 110 GLY C   58.00   98.00   74.95   62.47   89.53    .  . 0 "[    .    1    .    2]" 
       24 . 1 110 GLY C 1 111 MET N  1 111 MET CA 1 111 MET C -161.00  -49.00 -106.35 -139.06  -68.31    .  . 0 "[    .    1    .    2]" 
       25 . 1 111 MET C 1 112 ILE N  1 112 ILE CA 1 112 ILE C -119.00  -79.00  -91.72  -85.76  -89.79 0.20 12 0 "[    .    1    .    2]" 
       26 . 1 112 ILE C 1 113 LEU N  1 113 LEU CA 1 113 LEU C -162.00  -88.00 -128.30 -142.39 -116.56    .  . 0 "[    .    1    .    2]" 
       27 . 1 113 LEU C 1 114 CYS N  1 114 CYS CA 1 114 CYS C -149.00  -37.00  -74.58  -85.36  -65.01    .  . 0 "[    .    1    .    2]" 
       28 . 1 114 CYS C 1 115 ARG N  1 115 ARG CA 1 115 ARG C  -80.00  -40.00  -59.69  -65.93  -49.69    .  . 0 "[    .    1    .    2]" 
       29 . 1 115 ARG C 1 116 ASN N  1 116 ASN CA 1 116 ASN C  -82.00  -42.00  -77.08  -74.45  -76.38 1.15  9 0 "[    .    1    .    2]" 
       30 . 1 116 ASN C 1 117 ASP N  1 117 ASP CA 1 117 ASP C  -87.00  -47.00  -71.78  -82.19  -65.06    .  . 0 "[    .    1    .    2]" 
       31 . 1 117 ASP C 1 118 TYR N  1 118 TYR CA 1 118 TYR C  -83.00  -43.00  -59.47  -58.16  -58.47    .  . 0 "[    .    1    .    2]" 
       32 . 1 118 TYR C 1 119 ILE N  1 119 ILE CA 1 119 ILE C  -82.00  -42.00  -67.65  -74.43  -61.90    .  . 0 "[    .    1    .    2]" 
       33 . 1 119 ILE C 1 120 ARG N  1 120 ARG CA 1 120 ARG C  -80.00  -40.00  -70.96  -74.94  -75.37 0.55 13 0 "[    .    1    .    2]" 
       34 . 1 120 ARG C 1 121 LEU N  1 121 LEU CA 1 121 LEU C  -98.00  -52.00  -79.42  -95.23  -66.74    .  . 0 "[    .    1    .    2]" 
       35 . 1  62 LYS N 1  62 LYS CA 1  62 LYS C  1  63 ARG N   89.00  171.00  134.15  140.64  138.51    .  . 0 "[    .    1    .    2]" 
       36 . 1  63 ARG N 1  63 ARG CA 1  63 ARG C  1  64 CYS N   95.00  171.00  132.80  136.96  135.47    .  . 0 "[    .    1    .    2]" 
       37 . 1  64 CYS N 1  64 CYS CA 1  64 CYS C  1  65 ALA N   96.00  154.00  151.89  153.85  147.14 3.35  8 0 "[    .    1    .    2]" 
       38 . 1  70 LYS N 1  70 LYS CA 1  70 LYS C  1  71 ILE N   82.00 -168.00  137.89  102.48  157.56    .  . 0 "[    .    1    .    2]" 
       39 . 1  71 ILE N 1  71 ILE CA 1  71 ILE C  1  72 ALA N  110.00  152.00  108.42  105.79  109.44 4.21 15 0 "[    .    1    .    2]" 
       40 . 1  76 LEU N 1  76 LEU CA 1  76 LEU C  1  77 LEU N  114.00 -162.00  146.66  147.64  147.03    .  . 0 "[    .    1    .    2]" 
       41 . 1  77 LEU N 1  77 LEU CA 1  77 LEU C  1  78 TYR N  120.00  170.00  148.97  123.01  170.47 0.47 10 0 "[    .    1    .    2]" 
       42 . 1  78 TYR N 1  78 TYR CA 1  78 TYR C  1  79 ALA N  103.00  149.00  133.31  102.56  150.20 1.20 14 0 "[    .    1    .    2]" 
       43 . 1  82 SER N 1  82 SER CA 1  82 SER C  1  83 TYR N  106.00  170.00  169.36  170.56  170.26 1.40  9 0 "[    .    1    .    2]" 
       44 . 1  83 TYR N 1  83 TYR CA 1  83 TYR C  1  84 TRP N  109.00 -173.00  127.29  116.20  137.30    .  . 0 "[    .    1    .    2]" 
       45 . 1  84 TRP N 1  84 TRP CA 1  84 TRP C  1  85 HIS N  104.00 -178.00  172.32  153.99 -178.88    .  . 0 "[    .    1    .    2]" 
       46 . 1  86 SER N 1  86 SER CA 1  86 SER C  1  87 ARG N  -55.00   -7.00  -38.17  -50.19  -54.81    .  . 0 "[    .    1    .    2]" 
       47 . 1  90 LYS N 1  90 LYS CA 1  90 LYS C  1  91 CYS N  111.00 -171.00  162.34  178.60  176.06    .  . 0 "[    .    1    .    2]" 
       48 . 1  91 CYS N 1  91 CYS CA 1  91 CYS C  1  92 SER N  108.00  148.00  134.08  139.72  137.61    .  . 0 "[    .    1    .    2]" 
       49 . 1  92 SER N 1  92 SER CA 1  92 SER C  1  93 SER N  -54.00    4.00   -6.31  -14.88    0.92    .  . 0 "[    .    1    .    2]" 
       50 . 1  93 SER N 1  93 SER CA 1  93 SER C  1  94 CYS N  -51.00  -11.00  -47.10  -52.54  -30.78 1.54  2 0 "[    .    1    .    2]" 
       51 . 1  94 CYS N 1  94 CYS CA 1  94 CYS C  1  95 GLN N  -35.00   13.00  -14.46  -23.28  -31.19 0.62  4 0 "[    .    1    .    2]" 
       52 . 1  98 LEU N 1  98 LEU CA 1  98 LEU C  1  99 GLY N  -21.00   19.00  -15.15  -22.57  -22.88 2.33 20 0 "[    .    1    .    2]" 
       53 . 1 103 THR N 1 103 THR CA 1 103 THR C  1 104 SER N  116.00  170.00  132.43  129.43  127.32 0.36  6 0 "[    .    1    .    2]" 
       54 . 1 105 SER N 1 105 SER CA 1 105 SER C  1 106 TYR N  119.00 -177.00  162.47  179.70  172.99 0.46  2 0 "[    .    1    .    2]" 
       55 . 1 106 TYR N 1 106 TYR CA 1 106 TYR C  1 107 THR N  114.00  180.00  158.08  146.04  172.06    .  . 0 "[    .    1    .    2]" 
       56 . 1 107 THR N 1 107 THR CA 1 107 THR C  1 108 LYS N   99.00 -177.00  168.17  138.24  179.63    .  . 0 "[    .    1    .    2]" 
       57 . 1 110 GLY N 1 110 GLY CA 1 110 GLY C  1 111 MET N  -24.00   28.00   12.47   -4.99  -24.29 1.17 10 0 "[    .    1    .    2]" 
       58 . 1 111 MET N 1 111 MET CA 1 111 MET C  1 112 ILE N  109.00  175.00  139.70  128.49  151.77    .  . 0 "[    .    1    .    2]" 
       59 . 1 112 ILE N 1 112 ILE CA 1 112 ILE C  1 113 LEU N  109.00  149.00  113.43  107.79  123.71 1.21  6 0 "[    .    1    .    2]" 
       60 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C  1 114 CYS N  128.00  168.00  153.64  150.63  149.70    .  . 0 "[    .    1    .    2]" 
       61 . 1 114 CYS N 1 114 CYS CA 1 114 CYS C  1 115 ARG N  141.00 -171.00  174.16  164.60 -170.26 0.74  5 0 "[    .    1    .    2]" 
       62 . 1 115 ARG N 1 115 ARG CA 1 115 ARG C  1 116 ASN N  -56.00  -16.00  -40.95  -39.04  -42.12 0.21  5 0 "[    .    1    .    2]" 
       63 . 1 116 ASN N 1 116 ASN CA 1 116 ASN C  1 117 ASP N  -59.00  -19.00  -39.89  -47.80  -25.77    .  . 0 "[    .    1    .    2]" 
       64 . 1 117 ASP N 1 117 ASP CA 1 117 ASP C  1 118 TYR N  -59.00  -19.00  -39.15  -37.23  -37.65    .  . 0 "[    .    1    .    2]" 
       65 . 1 118 TYR N 1 118 TYR CA 1 118 TYR C  1 119 ILE N  -63.00  -23.00  -45.39  -51.87  -41.66    .  . 0 "[    .    1    .    2]" 
       66 . 1 119 ILE N 1 119 ILE CA 1 119 ILE C  1 120 ARG N  -64.00  -24.00  -34.44  -29.16  -31.13    .  . 0 "[    .    1    .    2]" 
       67 . 1 120 ARG N 1 120 ARG CA 1 120 ARG C  1 121 LEU N  -66.00  -26.00  -39.64  -32.31  -36.59 0.75 11 0 "[    .    1    .    2]" 
       68 . 1 121 LEU N 1 121 LEU CA 1 121 LEU C  1 122 PHE N  -62.00  -10.00  -58.47  -53.94  -56.31 1.03  4 0 "[    .    1    .    2]" 
    stop_

save_



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