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
445613 2kk0 16348 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2kk0


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              185
    _TA_constraint_stats_list.Viol_count                    375
    _TA_constraint_stats_list.Viol_total                    5711.40
    _TA_constraint_stats_list.Viol_max                      4.49
    _TA_constraint_stats_list.Viol_rms                      0.31
    _TA_constraint_stats_list.Viol_average_all_restraints   0.08
    _TA_constraint_stats_list.Viol_average_violations_only  0.76
    _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  23 PHE C 1  24 LYS N  1  24 LYS CA 1  24 LYS C  -71.00  -51.00  -63.79  -56.45  -60.23 1.70  3 0 "[    .    1    .    2]" 
         2 . 1  24 LYS N 1  24 LYS CA 1  24 LYS C  1  25 GLN N  -61.00  -13.00  -22.99  -21.49  -22.20 1.72 15 0 "[    .    1    .    2]" 
         3 . 1  24 LYS C 1  25 GLN N  1  25 GLN CA 1  25 GLN C  -71.00  -51.00  -50.72  -50.92  -51.54 1.03  3 0 "[    .    1    .    2]" 
         4 . 1  25 GLN N 1  25 GLN CA 1  25 GLN C  1  26 LEU N  -58.00  -30.00  -42.36  -51.95  -35.02    .  . 0 "[    .    1    .    2]" 
         5 . 1  25 GLN C 1  26 LEU N  1  26 LEU CA 1  26 LEU C  -78.00  -54.00  -58.24  -67.36  -53.42 0.58 13 0 "[    .    1    .    2]" 
         6 . 1  26 LEU N 1  26 LEU CA 1  26 LEU C  1  27 TYR N  -60.00  -16.00  -35.86  -39.14  -41.70    .  . 0 "[    .    1    .    2]" 
         7 . 1  26 LEU C 1  27 TYR N  1  27 TYR CA 1  27 TYR C  -84.00  -44.00  -75.59  -83.67  -66.25    .  . 0 "[    .    1    .    2]" 
         8 . 1  27 TYR N 1  27 TYR CA 1  27 TYR C  1  28 GLU N  -54.00  -30.00  -38.25  -47.29  -28.40 1.60  5 0 "[    .    1    .    2]" 
         9 . 1  27 TYR C 1  28 GLU N  1  28 GLU CA 1  28 GLU C -135.00  -51.00  -92.79 -111.95  -73.57    .  . 0 "[    .    1    .    2]" 
        10 . 1  28 GLU N 1  28 GLU CA 1  28 GLU C  1  29 LEU N  -52.00   32.00   14.77   16.93   11.59 0.66 16 0 "[    .    1    .    2]" 
        11 . 1  28 GLU C 1  29 LEU N  1  29 LEU CA 1  29 LEU C  -80.00  -48.00  -55.98  -55.19  -58.59 0.45 20 0 "[    .    1    .    2]" 
        12 . 1  29 LEU N 1  29 LEU CA 1  29 LEU C  1  30 ASP N  -52.00  -24.00  -52.55  -55.27  -47.25 3.27 14 0 "[    .    1    .    2]" 
        13 . 1  29 LEU C 1  30 ASP N  1  30 ASP CA 1  30 ASP C -117.00  -69.00 -115.58 -121.49  -97.11 4.49 14 0 "[    .    1    .    2]" 
        14 . 1  30 ASP N 1  30 ASP CA 1  30 ASP C  1  31 GLY N  -38.00   18.00  -26.22  -39.27  -39.75 2.07  1 0 "[    .    1    .    2]" 
        15 . 1  31 GLY C 1  32 ASP N  1  32 ASP CA 1  32 ASP C -119.00  -39.00  -81.29  -77.05  -83.78    .  . 0 "[    .    1    .    2]" 
        16 . 1  32 ASP N 1  32 ASP CA 1  32 ASP C  1  33 PRO N   86.00  154.00  138.63  128.07  150.50    .  . 0 "[    .    1    .    2]" 
        17 . 1  33 PRO C 1  34 LYS N  1  34 LYS CA 1  34 LYS C -109.80  -38.80  -74.29 -100.72  -52.17    .  . 0 "[    .    1    .    2]" 
        18 . 1  34 LYS N 1  34 LYS CA 1  34 LYS C  1  35 ARG N  -66.30   17.30  -21.83  -35.50   -5.78    .  . 0 "[    .    1    .    2]" 
        19 . 1  34 LYS C 1  35 ARG N  1  35 ARG CA 1  35 ARG C -101.30  -36.40  -63.23  -63.01  -64.54    .  . 0 "[    .    1    .    2]" 
        20 . 1  35 ARG N 1  35 ARG CA 1  35 ARG C  1  36 LYS N  -77.80   -1.30  -53.90  -48.05  -50.54    .  . 0 "[    .    1    .    2]" 
        21 . 1  35 ARG C 1  36 LYS N  1  36 LYS CA 1  36 LYS C  -76.30  -48.30  -68.20  -66.69  -67.83 0.21  7 0 "[    .    1    .    2]" 
        22 . 1  36 LYS N 1  36 LYS CA 1  36 LYS C  1  37 GLU N  -59.40  -15.40  -32.54  -30.40  -31.62    .  . 0 "[    .    1    .    2]" 
        23 . 1  36 LYS C 1  37 GLU N  1  37 GLU CA 1  37 GLU C  -80.00  -52.20  -62.78  -78.34  -56.67    .  . 0 "[    .    1    .    2]" 
        24 . 1  37 GLU N 1  37 GLU CA 1  37 GLU C  1  38 PHE N  -61.00   -8.90  -49.29  -47.19  -49.58 0.46  6 0 "[    .    1    .    2]" 
        25 . 1  37 GLU C 1  38 PHE N  1  38 PHE CA 1  38 PHE C -104.30  -41.10  -56.03  -52.63  -53.90    .  . 0 "[    .    1    .    2]" 
        26 . 1  38 PHE N 1  38 PHE CA 1  38 PHE C  1  39 LEU N  -71.10   -2.30  -49.29  -46.49  -48.27    .  . 0 "[    .    1    .    2]" 
        27 . 1  38 PHE C 1  39 LEU N  1  39 LEU CA 1  39 LEU C -100.50  -33.70  -61.87  -66.05  -57.32    .  . 0 "[    .    1    .    2]" 
        28 . 1  39 LEU N 1  39 LEU CA 1  39 LEU C  1  40 ASP N  -67.60   -1.70  -43.71  -40.59  -42.48    .  . 0 "[    .    1    .    2]" 
        29 . 1  39 LEU C 1  40 ASP N  1  40 ASP CA 1  40 ASP C  -72.80  -52.80  -60.57  -63.24  -65.28    .  . 0 "[    .    1    .    2]" 
        30 . 1  40 ASP N 1  40 ASP CA 1  40 ASP C  1  41 ASP N  -51.20  -31.20  -50.03  -53.21  -44.84 2.01 10 0 "[    .    1    .    2]" 
        31 . 1  40 ASP C 1  41 ASP N  1  41 ASP CA 1  41 ASP C  -76.00  -56.00  -63.17  -70.91  -58.97    .  . 0 "[    .    1    .    2]" 
        32 . 1  41 ASP N 1  41 ASP CA 1  41 ASP C  1  42 LEU N  -52.40  -32.40  -39.70  -37.16  -37.85 1.58  8 0 "[    .    1    .    2]" 
        33 . 1  41 ASP C 1  42 LEU N  1  42 LEU CA 1  42 LEU C  -74.00  -53.00  -59.73  -60.52  -61.81    .  . 0 "[    .    1    .    2]" 
        34 . 1  42 LEU N 1  42 LEU CA 1  42 LEU C  1  43 PHE N  -57.90  -27.10  -58.51  -59.52  -54.92 1.62 17 0 "[    .    1    .    2]" 
        35 . 1  42 LEU C 1  43 PHE N  1  43 PHE CA 1  43 PHE C  -71.60  -51.60  -58.15  -64.51  -53.68    .  . 0 "[    .    1    .    2]" 
        36 . 1  43 PHE N 1  43 PHE CA 1  43 PHE C  1  44 SER N  -51.20  -26.90  -46.11  -51.80  -39.58 0.60 10 0 "[    .    1    .    2]" 
        37 . 1  43 PHE C 1  44 SER N  1  44 SER CA 1  44 SER C  -72.40  -52.40  -61.45  -59.90  -60.59    .  . 0 "[    .    1    .    2]" 
        38 . 1  44 SER N 1  44 SER CA 1  44 SER C  1  45 PHE N  -51.20  -28.20  -45.01  -51.44  -36.22 0.24 16 0 "[    .    1    .    2]" 
        39 . 1  44 SER C 1  45 PHE N  1  45 PHE CA 1  45 PHE C  -75.00  -55.00  -60.55  -67.73  -55.02    .  . 0 "[    .    1    .    2]" 
        40 . 1  45 PHE N 1  45 PHE CA 1  45 PHE C  1  46 MET N  -59.00  -23.00  -56.25  -59.56  -51.47 0.56 11 0 "[    .    1    .    2]" 
        41 . 1  45 PHE C 1  46 MET N  1  46 MET CA 1  46 MET C  -72.50  -52.50  -64.51  -63.03  -64.44 0.38 10 0 "[    .    1    .    2]" 
        42 . 1  46 MET N 1  46 MET CA 1  46 MET C  1  47 GLN N  -51.10  -31.10  -34.65  -43.02  -30.73 0.37 18 0 "[    .    1    .    2]" 
        43 . 1  46 MET C 1  47 GLN N  1  47 GLN CA 1  47 GLN C  -71.10  -50.70  -60.61  -62.06  -64.94    .  . 0 "[    .    1    .    2]" 
        44 . 1  47 GLN N 1  47 GLN CA 1  47 GLN C  1  48 LYS N  -54.40  -33.00  -47.61  -54.86  -38.14 0.46 14 0 "[    .    1    .    2]" 
        45 . 1  47 GLN C 1  48 LYS N  1  48 LYS CA 1  48 LYS C  -80.20  -53.80  -62.90  -71.51  -54.73    .  . 0 "[    .    1    .    2]" 
        46 . 1  48 LYS N 1  48 LYS CA 1  48 LYS C  1  49 ARG N  -42.20  -13.50  -31.13  -31.50  -39.55 0.75  4 0 "[    .    1    .    2]" 
        47 . 1  48 LYS C 1  49 ARG N  1  49 ARG CA 1  49 ARG C -100.40  -65.80  -87.23  -88.78  -89.98 0.47 10 0 "[    .    1    .    2]" 
        48 . 1  49 ARG N 1  49 ARG CA 1  49 ARG C  1  50 GLY N  -21.70   30.90    5.63   -5.77   21.42    .  . 0 "[    .    1    .    2]" 
        49 . 1  49 ARG C 1  50 GLY N  1  50 GLY CA 1  50 GLY C   35.00  107.00   96.48   96.73   91.00 0.46 13 0 "[    .    1    .    2]" 
        50 . 1  50 GLY N 1  50 GLY CA 1  50 GLY C  1  51 THR N   -4.00   64.00   29.63    8.49   48.35    .  . 0 "[    .    1    .    2]" 
        51 . 1  50 GLY C 1  51 THR N  1  51 THR CA 1  51 THR C -162.00  -70.00 -153.63 -156.25 -158.84 0.71 15 0 "[    .    1    .    2]" 
        52 . 1  51 THR N 1  51 THR CA 1  51 THR C  1  52 PRO N   70.00 -158.00   85.53   78.27   73.49    .  . 0 "[    .    1    .    2]" 
        53 . 1  52 PRO C 1  53 VAL N  1  53 VAL CA 1  53 VAL C -125.10  -65.90  -91.36  -95.10  -96.59    .  . 0 "[    .    1    .    2]" 
        54 . 1  53 VAL N 1  53 VAL CA 1  53 VAL C  1  54 ASN N   79.60 -172.10  103.91   81.58  122.42    .  . 0 "[    .    1    .    2]" 
        55 . 1  54 ASN C 1  55 ARG N  1  55 ARG CA 1  55 ARG C -149.60  -75.00 -129.87 -143.58 -146.52 2.21  8 0 "[    .    1    .    2]" 
        56 . 1  55 ARG N 1  55 ARG CA 1  55 ARG C  1  56 ILE N  111.10  167.70  147.96  164.02  157.78 1.84  7 0 "[    .    1    .    2]" 
        57 . 1  55 ARG C 1  56 ILE N  1  56 ILE CA 1  56 ILE C -133.80  -50.10  -92.44 -116.82  -67.23    .  . 0 "[    .    1    .    2]" 
        58 . 1  56 ILE N 1  56 ILE CA 1  56 ILE C  1  57 PRO N   88.80 -178.30  133.12  134.67  132.90    .  . 0 "[    .    1    .    2]" 
        59 . 1  57 PRO C 1  58 ILE N  1  58 ILE CA 1  58 ILE C -158.20  -69.60 -105.21  -96.31 -102.92    .  . 0 "[    .    1    .    2]" 
        60 . 1  58 ILE N 1  58 ILE CA 1  58 ILE C  1  59 MET N  106.80  169.80  127.92  105.22  151.01 1.58  7 0 "[    .    1    .    2]" 
        61 . 1  58 ILE C 1  59 MET N  1  59 MET CA 1  59 MET C -160.90  -63.30 -127.46 -129.45 -135.02    .  . 0 "[    .    1    .    2]" 
        62 . 1  59 MET N 1  59 MET CA 1  59 MET C  1  60 ALA N  104.20  143.30  130.63  132.00  129.46    .  . 0 "[    .    1    .    2]" 
        63 . 1  60 ALA C 1  61 LYS N  1  61 LYS CA 1  61 LYS C   52.40   75.70   69.31   69.77   69.16 0.45  4 0 "[    .    1    .    2]" 
        64 . 1  61 LYS N 1  61 LYS CA 1  61 LYS C  1  62 GLN N   -1.60   38.70    8.40    6.93    5.48 1.42  5 0 "[    .    1    .    2]" 
        65 . 1  61 LYS C 1  62 GLN N  1  62 GLN CA 1  62 GLN C -142.70  -89.50 -124.20 -139.63 -103.86    .  . 0 "[    .    1    .    2]" 
        66 . 1  62 GLN N 1  62 GLN CA 1  62 GLN C  1  63 VAL N  112.30 -179.50  160.66  167.72  162.76    .  . 0 "[    .    1    .    2]" 
        67 . 1  62 GLN C 1  63 VAL N  1  63 VAL CA 1  63 VAL C -122.50  -52.00  -71.56  -88.57  -58.61    .  . 0 "[    .    1    .    2]" 
        68 . 1  63 VAL N 1  63 VAL CA 1  63 VAL C  1  64 LEU N  110.70  147.60  138.52  128.49  147.25    .  . 0 "[    .    1    .    2]" 
        69 . 1  63 VAL C 1  64 LEU N  1  64 LEU CA 1  64 LEU C -131.10  -70.30  -76.30  -89.15  -68.24 2.06 17 0 "[    .    1    .    2]" 
        70 . 1  64 LEU N 1  64 LEU CA 1  64 LEU C  1  65 ASP N   95.70  162.30  108.27  101.46   99.13 0.32  1 0 "[    .    1    .    2]" 
        71 . 1  64 LEU C 1  65 ASP N  1  65 ASP CA 1  65 ASP C -121.10  -48.00  -60.22  -54.87  -55.65    .  . 0 "[    .    1    .    2]" 
        72 . 1  65 ASP N 1  65 ASP CA 1  65 ASP C  1  66 LEU N   74.10  152.50   87.15   81.51   99.70    .  . 0 "[    .    1    .    2]" 
        73 . 1  65 ASP C 1  66 LEU N  1  66 LEU CA 1  66 LEU C  -77.70  -41.60  -55.03  -66.50  -49.78    .  . 0 "[    .    1    .    2]" 
        74 . 1  66 LEU N 1  66 LEU CA 1  66 LEU C  1  67 PHE N  -59.00    1.40  -42.26  -43.71  -45.05    .  . 0 "[    .    1    .    2]" 
        75 . 1  66 LEU C 1  67 PHE N  1  67 PHE CA 1  67 PHE C  -86.00  -48.30  -58.74  -66.31  -55.28    .  . 0 "[    .    1    .    2]" 
        76 . 1  67 PHE N 1  67 PHE CA 1  67 PHE C  1  68 MET N  -49.50    7.70  -50.33  -50.99  -48.59 1.49 15 0 "[    .    1    .    2]" 
        77 . 1  67 PHE C 1  68 MET N  1  68 MET CA 1  68 MET C  -95.50  -41.60  -69.50  -74.33  -65.87    .  . 0 "[    .    1    .    2]" 
        78 . 1  68 MET N 1  68 MET CA 1  68 MET C  1  69 LEU N  -58.90  -16.40  -38.07  -41.53  -42.65    .  . 0 "[    .    1    .    2]" 
        79 . 1  68 MET C 1  69 LEU N  1  69 LEU CA 1  69 LEU C  -71.30  -51.30  -55.57  -54.43  -54.53    .  . 0 "[    .    1    .    2]" 
        80 . 1  69 LEU N 1  69 LEU CA 1  69 LEU C  1  70 TYR N  -63.80  -24.40  -46.93  -48.28  -49.40    .  . 0 "[    .    1    .    2]" 
        81 . 1  69 LEU C 1  70 TYR N  1  70 TYR CA 1  70 TYR C  -78.60  -50.00  -57.96  -61.83  -54.24    .  . 0 "[    .    1    .    2]" 
        82 . 1  70 TYR N 1  70 TYR CA 1  70 TYR C  1  71 VAL N  -61.40  -16.10  -49.39  -54.81  -43.39    .  . 0 "[    .    1    .    2]" 
        83 . 1  70 TYR C 1  71 VAL N  1  71 VAL CA 1  71 VAL C  -70.40  -50.40  -56.85  -62.37  -51.94    .  . 0 "[    .    1    .    2]" 
        84 . 1  71 VAL N 1  71 VAL CA 1  71 VAL C  1  72 LEU N  -56.00  -36.00  -54.39  -56.72  -47.45 0.72  5 0 "[    .    1    .    2]" 
        85 . 1  71 VAL C 1  72 LEU N  1  72 LEU CA 1  72 LEU C  -76.50  -51.20  -60.25  -59.23  -60.69    .  . 0 "[    .    1    .    2]" 
        86 . 1  72 LEU N 1  72 LEU CA 1  72 LEU C  1  73 VAL N  -60.10   -8.70  -42.86  -34.45  -36.92    .  . 0 "[    .    1    .    2]" 
        87 . 1  72 LEU C 1  73 VAL N  1  73 VAL CA 1  73 VAL C  -83.10  -52.60  -70.03  -80.99  -57.82    .  . 0 "[    .    1    .    2]" 
        88 . 1  73 VAL N 1  73 VAL CA 1  73 VAL C  1  74 THR N  -58.90  -28.80  -46.34  -55.20  -39.29    .  . 0 "[    .    1    .    2]" 
        89 . 1  73 VAL C 1  74 THR N  1  74 THR CA 1  74 THR C  -70.60  -50.60  -65.08  -63.86  -65.05 0.16 13 0 "[    .    1    .    2]" 
        90 . 1  74 THR N 1  74 THR CA 1  74 THR C  1  75 GLU N  -57.30  -25.30  -40.11  -46.72  -32.38    .  . 0 "[    .    1    .    2]" 
        91 . 1  74 THR C 1  75 GLU N  1  75 GLU CA 1  75 GLU C  -72.90  -52.90  -63.27  -60.52  -62.04    .  . 0 "[    .    1    .    2]" 
        92 . 1  75 GLU N 1  75 GLU CA 1  75 GLU C  1  76 LYS N  -50.80  -11.20  -25.92  -33.06  -13.42    .  . 0 "[    .    1    .    2]" 
        93 . 1  75 GLU C 1  76 LYS N  1  76 LYS CA 1  76 LYS C -108.70  -68.10  -79.76  -82.04  -84.37    .  . 0 "[    .    1    .    2]" 
        94 . 1  76 LYS N 1  76 LYS CA 1  76 LYS C  1  77 GLY N  -23.10   22.20  -17.60  -26.80    0.41 3.70 15 0 "[    .    1    .    2]" 
        95 . 1  78 GLY C 1  79 LEU N  1  79 LEU CA 1  79 LEU C  -67.70  -43.40  -50.66  -57.12  -44.08    .  . 0 "[    .    1    .    2]" 
        96 . 1  79 LEU N 1  79 LEU CA 1  79 LEU C  1  80 VAL N  -61.50  -23.00  -56.43  -54.16  -55.91 0.43 18 0 "[    .    1    .    2]" 
        97 . 1  79 LEU C 1  80 VAL N  1  80 VAL CA 1  80 VAL C  -76.10  -56.10  -60.42  -58.78  -58.86 0.22 11 0 "[    .    1    .    2]" 
        98 . 1  80 VAL N 1  80 VAL CA 1  80 VAL C  1  81 GLU N  -51.10  -30.30  -43.44  -51.22  -35.11 0.12  3 0 "[    .    1    .    2]" 
        99 . 1  80 VAL C 1  81 GLU N  1  81 GLU CA 1  81 GLU C  -73.30  -52.30  -56.92  -63.33  -52.24 0.06 14 0 "[    .    1    .    2]" 
       100 . 1  81 GLU N 1  81 GLU CA 1  81 GLU C  1  82 VAL N  -54.70  -30.70  -47.01  -48.25  -50.55    .  . 0 "[    .    1    .    2]" 
       101 . 1  81 GLU C 1  82 VAL N  1  82 VAL CA 1  82 VAL C  -77.50  -57.50  -61.05  -64.92  -57.31 0.19  1 0 "[    .    1    .    2]" 
       102 . 1  82 VAL N 1  82 VAL CA 1  82 VAL C  1  83 ILE N  -55.00  -31.70  -40.00  -44.04  -36.84    .  . 0 "[    .    1    .    2]" 
       103 . 1  82 VAL C 1  83 ILE N  1  83 ILE CA 1  83 ILE C  -72.60  -52.60  -64.19  -62.91  -63.34    .  . 0 "[    .    1    .    2]" 
       104 . 1  83 ILE N 1  83 ILE CA 1  83 ILE C  1  84 ASN N  -49.20  -29.20  -40.30  -38.94  -41.22 0.44  8 0 "[    .    1    .    2]" 
       105 . 1  83 ILE C 1  84 ASN N  1  84 ASN CA 1  84 ASN C  -82.70  -53.50  -71.87  -70.03  -70.27 0.50  5 0 "[    .    1    .    2]" 
       106 . 1  84 ASN N 1  84 ASN CA 1  84 ASN C  1  85 LYS N  -48.20  -18.00  -38.72  -48.96  -24.91 0.76  2 0 "[    .    1    .    2]" 
       107 . 1  84 ASN C 1  85 LYS N  1  85 LYS CA 1  85 LYS C -121.70  -54.30  -79.76  -80.21  -88.90    .  . 0 "[    .    1    .    2]" 
       108 . 1  85 LYS N 1  85 LYS CA 1  85 LYS C  1  86 LYS N  -15.70   26.70  -15.18  -11.04  -13.70 2.12 14 0 "[    .    1    .    2]" 
       109 . 1  87 LEU C 1  88 TRP N  1  88 TRP CA 1  88 TRP C  -90.20  -37.20  -55.96  -61.60  -51.90    .  . 0 "[    .    1    .    2]" 
       110 . 1  88 TRP N 1  88 TRP CA 1  88 TRP C  1  89 ARG N  -73.40   19.00  -20.93  -17.76  -19.52    .  . 0 "[    .    1    .    2]" 
       111 . 1  88 TRP C 1  89 ARG N  1  89 ARG CA 1  89 ARG C  -75.80  -52.80  -57.71  -52.69  -53.02 1.01 19 0 "[    .    1    .    2]" 
       112 . 1  89 ARG N 1  89 ARG CA 1  89 ARG C  1  90 GLU N  -58.90  -24.80  -36.47  -49.25  -26.36    .  . 0 "[    .    1    .    2]" 
       113 . 1  89 ARG C 1  90 GLU N  1  90 GLU CA 1  90 GLU C  -72.90  -52.90  -66.82  -74.03  -58.51 1.13  2 0 "[    .    1    .    2]" 
       114 . 1  90 GLU N 1  90 GLU CA 1  90 GLU C  1  91 ILE N  -52.50  -31.80  -37.33  -33.18  -35.86 0.80  2 0 "[    .    1    .    2]" 
       115 . 1  90 GLU C 1  91 ILE N  1  91 ILE CA 1  91 ILE C  -81.80  -52.00  -67.06  -71.48  -59.52    .  . 0 "[    .    1    .    2]" 
       116 . 1  91 ILE N 1  91 ILE CA 1  91 ILE C  1  92 THR N  -53.60  -27.70  -52.37  -54.64  -47.44 1.04 13 0 "[    .    1    .    2]" 
       117 . 1  91 ILE C 1  92 THR N  1  92 THR CA 1  92 THR C  -71.90  -51.90  -57.60  -57.48  -58.05    .  . 0 "[    .    1    .    2]" 
       118 . 1  92 THR N 1  92 THR CA 1  92 THR C  1  93 LYS N  -53.30  -33.20  -48.57  -50.72  -52.93 0.21 10 0 "[    .    1    .    2]" 
       119 . 1  92 THR C 1  93 LYS N  1  93 LYS CA 1  93 LYS C  -80.40  -53.60  -60.33  -58.66  -59.27 0.29 15 0 "[    .    1    .    2]" 
       120 . 1  93 LYS N 1  93 LYS CA 1  93 LYS C  1  94 GLY N  -58.40  -26.80  -36.08  -41.67  -28.84    .  . 0 "[    .    1    .    2]" 
       121 . 1  93 LYS C 1  94 GLY N  1  94 GLY CA 1  94 GLY C  -88.10  -47.50  -66.34  -71.41  -60.52    .  . 0 "[    .    1    .    2]" 
       122 . 1  94 GLY N 1  94 GLY CA 1  94 GLY C  1  95 LEU N  -65.40   -7.90  -25.66  -31.87  -18.26    .  . 0 "[    .    1    .    2]" 
       123 . 1  96 ASN C 1  97 LEU N  1  97 LEU CA 1  97 LEU C -129.10  -49.70  -85.15  -80.14  -85.08    .  . 0 "[    .    1    .    2]" 
       124 . 1  97 LEU N 1  97 LEU CA 1  97 LEU C  1  98 PRO N  129.40  166.40  150.30  147.39  145.42    .  . 0 "[    .    1    .    2]" 
       125 . 1  99 THR C 1 100 SER N  1 100 SER CA 1 100 SER C -131.90  -60.20  -85.63 -104.00  -59.68 0.52  3 0 "[    .    1    .    2]" 
       126 . 1 100 SER N 1 100 SER CA 1 100 SER C  1 101 ILE N  -32.40   21.00    0.54   -6.18  -13.04 1.13 14 0 "[    .    1    .    2]" 
       127 . 1 100 SER C 1 101 ILE N  1 101 ILE CA 1 101 ILE C -136.40  -50.00  -65.24  -88.49  -55.40    .  . 0 "[    .    1    .    2]" 
       128 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C  1 102 THR N   60.40 -166.60  119.73  133.51  132.64    .  . 0 "[    .    1    .    2]" 
       129 . 1 103 SER C 1 104 ALA N  1 104 ALA CA 1 104 ALA C -101.80  -32.70  -52.23  -48.97  -49.91    .  . 0 "[    .    1    .    2]" 
       130 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C  1 105 ALA N  -75.00    0.00  -53.16  -46.21  -47.51    .  . 0 "[    .    1    .    2]" 
       131 . 1 104 ALA C 1 105 ALA N  1 105 ALA CA 1 105 ALA C  -74.00  -51.90  -55.47  -62.74  -51.54 0.36 19 0 "[    .    1    .    2]" 
       132 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C  1 106 PHE N  -51.50  -26.30  -42.81  -50.45  -30.74    .  . 0 "[    .    1    .    2]" 
       133 . 1 105 ALA C 1 106 PHE N  1 106 PHE CA 1 106 PHE C  -75.30  -54.80  -68.70  -68.36  -75.33 1.47  7 0 "[    .    1    .    2]" 
       134 . 1 106 PHE N 1 106 PHE CA 1 106 PHE C  1 107 THR N  -53.60  -23.70  -44.23  -38.12  -38.38 0.61  4 0 "[    .    1    .    2]" 
       135 . 1 106 PHE C 1 107 THR N  1 107 THR CA 1 107 THR C  -77.60  -54.30  -66.24  -63.82  -65.31 0.87 11 0 "[    .    1    .    2]" 
       136 . 1 107 THR N 1 107 THR CA 1 107 THR C  1 108 LEU N  -52.20  -32.20  -49.36  -53.14  -40.58 0.94 20 0 "[    .    1    .    2]" 
       137 . 1 107 THR C 1 108 LEU N  1 108 LEU CA 1 108 LEU C  -72.00  -52.00  -57.72  -61.04  -53.13    .  . 0 "[    .    1    .    2]" 
       138 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C  1 109 ARG N  -56.10  -33.70  -43.19  -41.22  -42.01    .  . 0 "[    .    1    .    2]" 
       139 . 1 108 LEU C 1 109 ARG N  1 109 ARG CA 1 109 ARG C  -75.00  -50.60  -55.12  -53.00  -53.70 0.42  2 0 "[    .    1    .    2]" 
       140 . 1 109 ARG N 1 109 ARG CA 1 109 ARG C  1 110 THR N  -54.90  -22.30  -44.92  -51.93  -35.65    .  . 0 "[    .    1    .    2]" 
       141 . 1 109 ARG C 1 110 THR N  1 110 THR CA 1 110 THR C  -74.20  -54.20  -68.24  -69.47  -71.53 0.47 16 0 "[    .    1    .    2]" 
       142 . 1 110 THR N 1 110 THR CA 1 110 THR C  1 111 GLN N  -57.60  -23.40  -50.40  -53.54  -55.63 0.48 18 0 "[    .    1    .    2]" 
       143 . 1 110 THR C 1 111 GLN N  1 111 GLN CA 1 111 GLN C  -74.10  -54.10  -61.72  -67.62  -58.27    .  . 0 "[    .    1    .    2]" 
       144 . 1 111 GLN N 1 111 GLN CA 1 111 GLN C  1 112 TYR N  -55.10  -24.80  -44.95  -43.20  -44.02    .  . 0 "[    .    1    .    2]" 
       145 . 1 111 GLN C 1 112 TYR N  1 112 TYR CA 1 112 TYR C  -85.60  -39.90  -58.11  -60.70  -53.92    .  . 0 "[    .    1    .    2]" 
       146 . 1 112 TYR N 1 112 TYR CA 1 112 TYR C  1 113 MET N  -58.40  -28.10  -44.46  -49.75  -53.68    .  . 0 "[    .    1    .    2]" 
       147 . 1 112 TYR C 1 113 MET N  1 113 MET CA 1 113 MET C  -71.60  -51.60  -60.16  -69.08  -51.95    .  . 0 "[    .    1    .    2]" 
       148 . 1 113 MET C 1 114 LYS N  1 114 LYS CA 1 114 LYS C -103.50  -39.60  -73.04  -87.91  -63.67    .  . 0 "[    .    1    .    2]" 
       149 . 1 114 LYS N 1 114 LYS CA 1 114 LYS C  1 115 TYR N  -50.90  -20.20  -49.27  -47.45  -48.11 1.19 12 0 "[    .    1    .    2]" 
       150 . 1 114 LYS C 1 115 TYR N  1 115 TYR CA 1 115 TYR C -108.30  -55.00 -100.92 -108.84  -91.59 0.54  8 0 "[    .    1    .    2]" 
       151 . 1 115 TYR N 1 115 TYR CA 1 115 TYR C  1 116 LEU N  -49.80    2.80  -50.43  -51.48  -47.31 1.68  7 0 "[    .    1    .    2]" 
       152 . 1 118 PRO C 1 119 TYR N  1 119 TYR CA 1 119 TYR C  -74.10  -54.10  -72.14  -74.56  -65.67 0.46 20 0 "[    .    1    .    2]" 
       153 . 1 119 TYR N 1 119 TYR CA 1 119 TYR C  1 120 GLU N  -51.60  -31.60  -42.39  -33.43  -37.19    .  . 0 "[    .    1    .    2]" 
       154 . 1 119 TYR C 1 120 GLU N  1 120 GLU CA 1 120 GLU C  -71.00  -51.00  -62.21  -71.80  -52.24 0.80  2 0 "[    .    1    .    2]" 
       155 . 1 120 GLU N 1 120 GLU CA 1 120 GLU C  1 121 CYS N  -57.00  -35.90  -48.56  -58.37  -35.22 1.37  4 0 "[    .    1    .    2]" 
       156 . 1 120 GLU C 1 121 CYS N  1 121 CYS CA 1 121 CYS C  -79.50  -46.60  -61.55  -65.76  -71.43    .  . 0 "[    .    1    .    2]" 
       157 . 1 121 CYS N 1 121 CYS CA 1 121 CYS C  1 122 GLU N  -56.40  -29.40  -36.25  -31.53  -33.41 0.87  8 0 "[    .    1    .    2]" 
       158 . 1 122 GLU C 1 123 LYS N  1 123 LYS CA 1 123 LYS C  -89.50  -63.80  -77.46  -71.16  -74.53 0.75  7 0 "[    .    1    .    2]" 
       159 . 1 123 LYS N 1 123 LYS CA 1 123 LYS C  1 124 ARG N  -35.70   15.40  -26.47  -24.00  -28.97 1.63  3 0 "[    .    1    .    2]" 
       160 . 1 125 GLY C 1 126 LEU N  1 126 LEU CA 1 126 LEU C -100.20  -43.50  -81.74 -101.16  -62.87 0.96 18 0 "[    .    1    .    2]" 
       161 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C  1 127 SER N  -61.60   22.70  -46.71  -45.08  -54.46 1.32 10 0 "[    .    1    .    2]" 
       162 . 1 129 PRO C 1 130 ASN N  1 130 ASN CA 1 130 ASN C  -95.40  -45.70  -70.09  -79.39  -58.57    .  . 0 "[    .    1    .    2]" 
       163 . 1 130 ASN N 1 130 ASN CA 1 130 ASN C  1 131 GLU N  -62.90    5.90  -55.97  -51.89  -52.87 1.01 12 0 "[    .    1    .    2]" 
       164 . 1 130 ASN C 1 131 GLU N  1 131 GLU CA 1 131 GLU C  -73.20  -53.20  -60.26  -67.27  -53.97    .  . 0 "[    .    1    .    2]" 
       165 . 1 131 GLU N 1 131 GLU CA 1 131 GLU C  1 132 LEU N  -54.10  -34.10  -32.96  -33.84  -31.40 2.70  8 0 "[    .    1    .    2]" 
       166 . 1 131 GLU C 1 132 LEU N  1 132 LEU CA 1 132 LEU C  -75.90  -49.70  -52.54  -58.10  -49.29 0.41 12 0 "[    .    1    .    2]" 
       167 . 1 132 LEU N 1 132 LEU CA 1 132 LEU C  1 133 GLN N  -52.40  -31.80  -49.00  -50.23  -51.83 1.05  6 0 "[    .    1    .    2]" 
       168 . 1 132 LEU C 1 133 GLN N  1 133 GLN CA 1 133 GLN C  -78.70  -49.00  -59.16  -56.72  -57.45    .  . 0 "[    .    1    .    2]" 
       169 . 1 133 GLN N 1 133 GLN CA 1 133 GLN C  1 134 ALA N  -61.90  -14.20  -42.48  -49.53  -34.39    .  . 0 "[    .    1    .    2]" 
       170 . 1 133 GLN C 1 134 ALA N  1 134 ALA CA 1 134 ALA C  -95.50  -42.30  -64.04  -67.23  -59.68    .  . 0 "[    .    1    .    2]" 
       171 . 1 134 ALA N 1 134 ALA CA 1 134 ALA C  1 135 ALA N  -60.40  -19.00  -41.27  -40.66  -41.18    .  . 0 "[    .    1    .    2]" 
       172 . 1 134 ALA C 1 135 ALA N  1 135 ALA CA 1 135 ALA C  -73.10  -53.10  -58.11  -62.56  -53.13    .  . 0 "[    .    1    .    2]" 
       173 . 1 135 ALA N 1 135 ALA CA 1 135 ALA C  1 136 ILE N  -55.00  -33.80  -51.87  -48.93  -50.57 0.69 11 0 "[    .    1    .    2]" 
       174 . 1 135 ALA C 1 136 ILE N  1 136 ILE CA 1 136 ILE C  -86.20  -45.10  -62.63  -70.74  -55.69    .  . 0 "[    .    1    .    2]" 
       175 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C  1 137 ASP N  -56.30  -19.70  -44.25  -44.44  -45.66    .  . 0 "[    .    1    .    2]" 
       176 . 1 136 ILE C 1 137 ASP N  1 137 ASP CA 1 137 ASP C  -78.10  -51.20  -57.46  -59.16  -61.08    .  . 0 "[    .    1    .    2]" 
       177 . 1 137 ASP N 1 137 ASP CA 1 137 ASP C  1 138 SER N  -58.70  -18.30  -44.45  -40.34  -40.93    .  . 0 "[    .    1    .    2]" 
       178 . 1 137 ASP C 1 138 SER N  1 138 SER CA 1 138 SER C  -79.60  -47.60  -58.49  -62.59  -52.26    .  . 0 "[    .    1    .    2]" 
       179 . 1 138 SER N 1 138 SER CA 1 138 SER C  1 139 ASN N  -58.10  -23.90  -41.87  -54.14  -32.67    .  . 0 "[    .    1    .    2]" 
       180 . 1 138 SER C 1 139 ASN N  1 139 ASN CA 1 139 ASN C  -81.20  -44.40  -65.45  -64.12  -65.12 0.43  3 0 "[    .    1    .    2]" 
       181 . 1 139 ASN N 1 139 ASN CA 1 139 ASN C  1 140 ARG N  -68.30  -17.10  -38.21  -54.02  -29.97    .  . 0 "[    .    1    .    2]" 
       182 . 1 139 ASN C 1 140 ARG N  1 140 ARG CA 1 140 ARG C  -78.20  -49.30  -68.27  -60.95  -63.24 0.20 10 0 "[    .    1    .    2]" 
       183 . 1 140 ARG N 1 140 ARG CA 1 140 ARG C  1 141 ARG N  -59.30  -24.40  -33.22  -33.55  -38.32 1.58  3 0 "[    .    1    .    2]" 
       184 . 1 140 ARG C 1 141 ARG N  1 141 ARG CA 1 141 ARG C  -85.50  -44.50  -72.96  -85.63  -58.53 0.13 16 0 "[    .    1    .    2]" 
       185 . 1 141 ARG N 1 141 ARG CA 1 141 ARG C  1 142 GLU N  -81.70   12.60  -25.43  -55.49    7.39    .  . 0 "[    .    1    .    2]" 
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