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
603299 2mxc 25402 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2mxc


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              180
    _TA_constraint_stats_list.Viol_count                    376
    _TA_constraint_stats_list.Viol_total                    10264.04
    _TA_constraint_stats_list.Viol_max                      4.93
    _TA_constraint_stats_list.Viol_rms                      0.55
    _TA_constraint_stats_list.Viol_average_all_restraints   0.14
    _TA_constraint_stats_list.Viol_average_violations_only  1.36
    _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  37 ASN C 1  38 PHE N  1  38 PHE CA 1  38 PHE C -170.00  -81.10  -92.35 -103.34  -84.49    .  . 0 "[    .    1    .    2]" 
         2 . 1  38 PHE N 1  38 PHE CA 1  38 PHE C  1  39 LEU N  100.00  168.68  136.21  125.52  145.37    .  . 0 "[    .    1    .    2]" 
         3 . 1  38 PHE C 1  39 LEU N  1  39 LEU CA 1  39 LEU C -150.00  -72.66 -145.10 -145.79 -146.46 0.30 11 0 "[    .    1    .    2]" 
         4 . 1  40 GLU C 1  41 ILE N  1  41 ILE CA 1  41 ILE C -150.00  -99.00 -113.64 -114.69 -115.07    .  . 0 "[    .    1    .    2]" 
         5 . 1  42 ASP C 1  43 VAL N  1  43 VAL CA 1  43 VAL C -150.00  -74.96  -92.98 -112.96  -78.01    .  . 0 "[    .    1    .    2]" 
         6 . 1  45 ASN C 1  46 PRO N  1  46 PRO CA 1  46 PRO C -110.00  -22.56  -73.04  -72.01  -72.60    .  . 0 "[    .    1    .    2]" 
         7 . 1  46 PRO N 1  46 PRO CA 1  46 PRO C  1  47 GLN N  120.00  171.92  138.05  119.27  164.51 0.73 12 0 "[    .    1    .    2]" 
         8 . 1  46 PRO C 1  47 GLN N  1  47 GLN CA 1  47 GLN C -170.00  -67.84 -124.34 -122.25 -130.99    .  . 0 "[    .    1    .    2]" 
         9 . 1  47 GLN N 1  47 GLN CA 1  47 GLN C  1  48 THR N  100.00  154.08  109.65  112.20  111.65    .  . 0 "[    .    1    .    2]" 
        10 . 1  47 GLN C 1  48 THR N  1  48 THR CA 1  48 THR C -140.00  -71.28  -76.88  -76.70  -77.50    .  . 0 "[    .    1    .    2]" 
        11 . 1  48 THR N 1  48 THR CA 1  48 THR C  1  49 VAL N   90.00  157.36   96.97   92.40   90.22 0.78 14 0 "[    .    1    .    2]" 
        12 . 1  48 THR C 1  49 VAL N  1  49 VAL CA 1  49 VAL C -150.00  -80.30 -125.67 -134.42 -114.10    .  . 0 "[    .    1    .    2]" 
        13 . 1  49 VAL N 1  49 VAL CA 1  49 VAL C  1  50 GLY N   90.00  160.90   92.15   88.58   98.90 1.42  3 0 "[    .    1    .    2]" 
        14 . 1  49 VAL C 1  50 GLY N  1  50 GLY CA 1  50 GLY C -170.00  -90.92 -172.65 -173.50 -170.64 3.50  4 0 "[    .    1    .    2]" 
        15 . 1  50 GLY N 1  50 GLY CA 1  50 GLY C  1  51 VAL N  110.00 -168.26 -167.04 -168.17 -165.35 2.91 18 0 "[    .    1    .    2]" 
        16 . 1  50 GLY C 1  51 VAL N  1  51 VAL CA 1  51 VAL C -160.00  -91.56 -103.53 -117.41  -95.90    .  . 0 "[    .    1    .    2]" 
        17 . 1  51 VAL N 1  51 VAL CA 1  51 VAL C  1  52 GLY N  110.00  161.78  150.29  145.14  158.32    .  . 0 "[    .    1    .    2]" 
        18 . 1  53 ARG C 1  54 GLY N  1  54 GLY CA 1  54 GLY C   50.38  118.82  120.70  122.37  121.75 3.55  2 0 "[    .    1    .    2]" 
        19 . 1  54 GLY N 1  54 GLY CA 1  54 GLY C  1  55 ARG N  -11.09   40.69   35.78   29.81   41.12 0.43  7 0 "[    .    1    .    2]" 
        20 . 1  55 ARG C 1  56 PHE N  1  56 PHE CA 1  56 PHE C -160.00 -108.40 -134.64 -149.83 -117.17    .  . 0 "[    .    1    .    2]" 
        21 . 1  56 PHE N 1  56 PHE CA 1  56 PHE C  1  57 THR N  110.00  179.88  161.76  162.30  159.67    .  . 0 "[    .    1    .    2]" 
        22 . 1  56 PHE C 1  57 THR N  1  57 THR CA 1  57 THR C -150.00  -70.70 -116.02 -129.00 -100.48    .  . 0 "[    .    1    .    2]" 
        23 . 1  57 THR N 1  57 THR CA 1  57 THR C  1  58 THR N  100.00  158.44  127.82  131.35  129.64    .  . 0 "[    .    1    .    2]" 
        24 . 1  57 THR C 1  58 THR N  1  58 THR CA 1  58 THR C -160.00  -93.66  -93.13  -99.64  -92.09 1.57  4 0 "[    .    1    .    2]" 
        25 . 1  62 ARG C 1  63 VAL N  1  63 VAL CA 1  63 VAL C -150.00  -80.82 -139.87 -130.66 -137.49    .  . 0 "[    .    1    .    2]" 
        26 . 1  64 LYS C 1  65 THR N  1  65 THR CA 1  65 THR C -170.00  -71.02 -170.36 -170.65 -170.91 2.90  3 0 "[    .    1    .    2]" 
        27 . 1  65 THR N 1  65 THR CA 1  65 THR C  1  66 ASN N  100.00  162.26  164.65  165.18  164.68 3.69  2 0 "[    .    1    .    2]" 
        28 . 1  66 ASN C 1  67 LEU N  1  67 LEU CA 1  67 LEU C -110.00  -27.22  -60.06  -61.09  -61.38    .  . 0 "[    .    1    .    2]" 
        29 . 1  67 LEU N 1  67 LEU CA 1  67 LEU C  1  68 PRO N  110.00  174.50  139.17  139.93  139.22    .  . 0 "[    .    1    .    2]" 
        30 . 1  67 LEU C 1  68 PRO N  1  68 PRO CA 1  68 PRO C  -90.00  -31.62  -73.61  -84.60  -66.82    .  . 0 "[    .    1    .    2]" 
        31 . 1  68 PRO N 1  68 PRO CA 1  68 PRO C  1  69 ILE N  -60.00   13.52  -28.73  -41.68   -9.70    .  . 0 "[    .    1    .    2]" 
        32 . 1  68 PRO C 1  69 ILE N  1  69 ILE CA 1  69 ILE C -110.00  -52.16  -69.42  -76.06  -85.06    .  . 0 "[    .    1    .    2]" 
        33 . 1  69 ILE N 1  69 ILE CA 1  69 ILE C  1  70 PHE N  -40.00   10.72  -41.28  -40.56  -40.82 3.16  5 0 "[    .    1    .    2]" 
        34 . 1  73 LYS C 1  74 GLU N  1  74 GLU CA 1  74 GLU C -170.00  -96.48 -154.43 -165.32 -140.53    .  . 0 "[    .    1    .    2]" 
        35 . 1  74 GLU N 1  74 GLU CA 1  74 GLU C  1  75 SER N  110.00 -165.76  136.15  122.41  118.98    .  . 0 "[    .    1    .    2]" 
        36 . 1  74 GLU C 1  75 SER N  1  75 SER CA 1  75 SER C -170.00  -94.54 -166.68 -171.33 -155.58 1.33 18 0 "[    .    1    .    2]" 
        37 . 1  75 SER N 1  75 SER CA 1  75 SER C  1  76 THR N  110.00 -169.50  167.72  151.55  179.33    .  . 0 "[    .    1    .    2]" 
        38 . 1  75 SER C 1  76 THR N  1  76 THR CA 1  76 THR C -140.00  -89.84 -141.15 -140.50 -140.68 2.31 16 0 "[    .    1    .    2]" 
        39 . 1  77 VAL C 1  78 ARG N  1  78 ARG CA 1  78 ARG C -150.00  -65.06 -137.99 -144.06 -145.29 0.53 15 0 "[    .    1    .    2]" 
        40 . 1  79 ARG C 1  80 ARG N  1  80 ARG CA 1  80 ARG C -100.00  -50.24  -91.19 -100.66  -74.02 0.66  2 0 "[    .    1    .    2]" 
        41 . 1  80 ARG N 1  80 ARG CA 1  80 ARG C  1  81 TYR N  130.00 -161.04  163.37  144.31  173.20    .  . 0 "[    .    1    .    2]" 
        42 . 1  80 ARG C 1  81 TYR N  1  81 TYR CA 1  81 TYR C  -80.00  -30.06  -54.97  -61.81  -48.03    .  . 0 "[    .    1    .    2]" 
        43 . 1  81 TYR N 1  81 TYR CA 1  81 TYR C  1  82 SER N  -70.00  -15.92  -38.98  -34.38  -36.47    .  . 0 "[    .    1    .    2]" 
        44 . 1  81 TYR C 1  82 SER N  1  82 SER CA 1  82 SER C  -90.00  -38.58  -57.54  -57.03  -57.77    .  . 0 "[    .    1    .    2]" 
        45 . 1  82 SER N 1  82 SER CA 1  82 SER C  1  83 ASP N  -70.00  -14.42  -29.99  -36.65  -21.81    .  . 0 "[    .    1    .    2]" 
        46 . 1  82 SER C 1  83 ASP N  1  83 ASP CA 1  83 ASP C  -90.00  -39.26  -72.86  -77.55  -80.50    .  . 0 "[    .    1    .    2]" 
        47 . 1  84 PHE C 1  85 GLU N  1  85 GLU CA 1  85 GLU C  -80.00  -34.72  -61.08  -71.97  -55.90    .  . 0 "[    .    1    .    2]" 
        48 . 1  85 GLU N 1  85 GLU CA 1  85 GLU C  1  86 TRP N  -70.00  -18.68  -52.91  -56.94  -44.98    .  . 0 "[    .    1    .    2]" 
        49 . 1  85 GLU C 1  86 TRP N  1  86 TRP CA 1  86 TRP C  -90.00  -39.94  -64.38  -65.82  -67.26    .  . 0 "[    .    1    .    2]" 
        50 . 1  88 ARG C 1  89 SER N  1  89 SER CA 1  89 SER C  -90.00  -39.52  -61.09  -61.86  -62.33    .  . 0 "[    .    1    .    2]" 
        51 . 1  92 GLU C 1  93 ARG N  1  93 ARG CA 1  93 ARG C  -90.00  -54.22  -73.64  -91.36  -55.24 1.36  5 0 "[    .    1    .    2]" 
        52 . 1  93 ARG N 1  93 ARG CA 1  93 ARG C  1  94 GLU N  -60.00   -8.96  -50.35  -64.20  -21.79 4.20 19 0 "[    .    1    .    2]" 
        53 . 1  98 VAL C 1  99 VAL N  1  99 VAL CA 1  99 VAL C -100.00  -47.02  -55.68  -56.50  -57.05    .  . 0 "[    .    1    .    2]" 
        54 . 1  99 VAL N 1  99 VAL CA 1  99 VAL C  1 100 PRO N  100.00 -170.06  120.30  121.16  120.69    .  . 0 "[    .    1    .    2]" 
        55 . 1  99 VAL C 1 100 PRO N  1 100 PRO CA 1 100 PRO C  -90.00  -37.90  -85.42  -88.28  -88.58    .  . 0 "[    .    1    .    2]" 
        56 . 1 100 PRO N 1 100 PRO CA 1 100 PRO C  1 101 PRO N  110.00 -177.06  164.93  160.56  168.37    .  . 0 "[    .    1    .    2]" 
        57 . 1 100 PRO C 1 101 PRO N  1 101 PRO CA 1 101 PRO C -100.00  -23.44  -66.21  -64.62  -65.19    .  . 0 "[    .    1    .    2]" 
        58 . 1 101 PRO N 1 101 PRO CA 1 101 PRO C  1 102 LEU N  110.00  173.64  142.09  148.65  147.30    .  . 0 "[    .    1    .    2]" 
        59 . 1 101 PRO C 1 102 LEU N  1 102 LEU CA 1 102 LEU C -120.00  -36.96  -71.30  -81.55  -63.99    .  . 0 "[    .    1    .    2]" 
        60 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C  1 103 PRO N  100.00 -163.30  151.20  153.39  152.02    .  . 0 "[    .    1    .    2]" 
        61 . 1 102 LEU C 1 103 PRO N  1 103 PRO CA 1 103 PRO C  -90.00  -21.02  -79.29  -90.26  -71.18 0.26  9 0 "[    .    1    .    2]" 
        62 . 1 103 PRO N 1 103 PRO CA 1 103 PRO C  1 104 GLY N  110.00  161.22  114.23  108.63  142.12 1.37 10 0 "[    .    1    .    2]" 
        63 . 1 121 ASP C 1 122 ASP N  1 122 ASP CA 1 122 ASP C  -80.00  -30.80  -66.06  -69.64  -70.04    .  . 0 "[    .    1    .    2]" 
        64 . 1 122 ASP N 1 122 ASP CA 1 122 ASP C  1 123 ASN N  -70.00   -8.92  -23.13  -33.03  -15.54    .  . 0 "[    .    1    .    2]" 
        65 . 1 122 ASP C 1 123 ASN N  1 123 ASN CA 1 123 ASN C  -90.00  -39.78  -66.07  -66.73  -69.34    .  . 0 "[    .    1    .    2]" 
        66 . 1 123 ASN N 1 123 ASN CA 1 123 ASN C  1 124 PHE N  -60.00  -17.66  -57.52  -57.87  -58.07 1.58 14 0 "[    .    1    .    2]" 
        67 . 1 123 ASN C 1 124 PHE N  1 124 PHE CA 1 124 PHE C  -90.00  -39.92  -50.49  -54.84  -45.77    .  . 0 "[    .    1    .    2]" 
        68 . 1 124 PHE N 1 124 PHE CA 1 124 PHE C  1 125 ILE N  -60.00  -29.96  -49.23  -51.47  -46.89    .  . 0 "[    .    1    .    2]" 
        69 . 1 124 PHE C 1 125 ILE N  1 125 ILE CA 1 125 ILE C  -90.00  -39.80  -51.72  -50.96  -51.47    .  . 0 "[    .    1    .    2]" 
        70 . 1 125 ILE N 1 125 ILE CA 1 125 ILE C  1 126 GLU N  -70.00  -15.34  -49.86  -54.81  -45.54    .  . 0 "[    .    1    .    2]" 
        71 . 1 125 ILE C 1 126 GLU N  1 126 GLU CA 1 126 GLU C  -90.00  -39.26  -77.08  -83.74  -71.93    .  . 0 "[    .    1    .    2]" 
        72 . 1 126 GLU N 1 126 GLU CA 1 126 GLU C  1 127 GLU N  -60.00  -12.80  -19.22  -23.32  -14.31    .  . 0 "[    .    1    .    2]" 
        73 . 1 126 GLU C 1 127 GLU N  1 127 GLU CA 1 127 GLU C  -90.00  -39.92  -73.59  -80.51  -67.55    .  . 0 "[    .    1    .    2]" 
        74 . 1 127 GLU N 1 127 GLU CA 1 127 GLU C  1 128 ARG N  -70.00  -19.72  -33.53  -38.83  -28.12    .  . 0 "[    .    1    .    2]" 
        75 . 1 127 GLU C 1 128 ARG N  1 128 ARG CA 1 128 ARG C  -80.00  -49.92  -78.17  -81.20  -81.93 1.93  1 0 "[    .    1    .    2]" 
        76 . 1 128 ARG N 1 128 ARG CA 1 128 ARG C  1 129 LYS N  -60.00  -28.88  -36.74  -33.68  -34.32    .  . 0 "[    .    1    .    2]" 
        77 . 1 128 ARG C 1 129 LYS N  1 129 LYS CA 1 129 LYS C  -80.00  -41.92  -56.18  -55.89  -56.02    .  . 0 "[    .    1    .    2]" 
        78 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C  1 130 GLN N  -70.00  -19.08  -51.50  -54.01  -49.32    .  . 0 "[    .    1    .    2]" 
        79 . 1 129 LYS C 1 130 GLN N  1 130 GLN CA 1 130 GLN C  -90.00  -38.56  -60.41  -62.52  -58.00    .  . 0 "[    .    1    .    2]" 
        80 . 1 130 GLN N 1 130 GLN CA 1 130 GLN C  1 131 GLY N  -70.00  -15.16  -38.62  -45.00  -32.65    .  . 0 "[    .    1    .    2]" 
        81 . 1 130 GLN C 1 131 GLY N  1 131 GLY CA 1 131 GLY C  -90.00  -39.94  -81.67  -79.13  -80.34 0.62 18 0 "[    .    1    .    2]" 
        82 . 1 131 GLY N 1 131 GLY CA 1 131 GLY C  1 132 LEU N  -70.00   -9.70  -35.42  -34.94  -36.26    .  . 0 "[    .    1    .    2]" 
        83 . 1 131 GLY C 1 132 LEU N  1 132 LEU CA 1 132 LEU C  -90.00  -39.84  -66.51  -69.54  -62.11    .  . 0 "[    .    1    .    2]" 
        84 . 1 132 LEU N 1 132 LEU CA 1 132 LEU C  1 133 GLU N  -70.00  -18.56  -35.50  -36.59  -36.61    .  . 0 "[    .    1    .    2]" 
        85 . 1 132 LEU C 1 133 GLU N  1 133 GLU CA 1 133 GLU C  -80.00  -48.86  -73.93  -74.05  -74.92    .  . 0 "[    .    1    .    2]" 
        86 . 1 133 GLU N 1 133 GLU CA 1 133 GLU C  1 134 GLN N  -70.00  -19.06  -31.99  -35.54  -28.84    .  . 0 "[    .    1    .    2]" 
        87 . 1 133 GLU C 1 134 GLN N  1 134 GLN CA 1 134 GLN C  -90.00  -38.34  -61.11  -61.67  -62.31    .  . 0 "[    .    1    .    2]" 
        88 . 1 134 GLN N 1 134 GLN CA 1 134 GLN C  1 135 PHE N  -70.00  -17.22  -57.99  -61.34  -53.61    .  . 0 "[    .    1    .    2]" 
        89 . 1 134 GLN C 1 135 PHE N  1 135 PHE CA 1 135 PHE C  -90.00  -39.94  -48.91  -47.57  -48.34    .  . 0 "[    .    1    .    2]" 
        90 . 1 136 ILE C 1 137 ASN N  1 137 ASN CA 1 137 ASN C  -80.00  -30.82  -61.26  -61.62  -61.95    .  . 0 "[    .    1    .    2]" 
        91 . 1 137 ASN N 1 137 ASN CA 1 137 ASN C  1 138 LYS N  -70.00  -12.50  -18.94  -23.56  -12.53    .  . 0 "[    .    1    .    2]" 
        92 . 1 137 ASN C 1 138 LYS N  1 138 LYS CA 1 138 LYS C  -90.00  -37.96  -88.06  -90.78  -81.35 0.78 17 0 "[    .    1    .    2]" 
        93 . 1 141 GLY C 1 142 HIS N  1 142 HIS CA 1 142 HIS C -100.00  -29.30  -96.54 -101.57  -82.49 1.57  6 0 "[    .    1    .    2]" 
        94 . 1 142 HIS N 1 142 HIS CA 1 142 HIS C  1 143 PRO N  100.00  166.42  142.07  139.45  146.38    .  . 0 "[    .    1    .    2]" 
        95 . 1 142 HIS C 1 143 PRO N  1 143 PRO CA 1 143 PRO C  -80.00  -30.40  -42.01  -47.93  -38.95    .  . 0 "[    .    1    .    2]" 
        96 . 1 143 PRO N 1 143 PRO CA 1 143 PRO C  1 144 LEU N  -50.00  -19.54  -48.58  -48.03  -48.86 1.24 19 0 "[    .    1    .    2]" 
        97 . 1 143 PRO C 1 144 LEU N  1 144 LEU CA 1 144 LEU C  -90.00  -39.68  -70.10  -74.00  -66.50    .  . 0 "[    .    1    .    2]" 
        98 . 1 144 LEU N 1 144 LEU CA 1 144 LEU C  1 145 ALA N  -70.00    4.50  -30.31  -39.50  -23.85    .  . 0 "[    .    1    .    2]" 
        99 . 1 144 LEU C 1 145 ALA N  1 145 ALA CA 1 145 ALA C  -90.00  -40.20  -79.00  -76.16  -76.74    .  . 0 "[    .    1    .    2]" 
       100 . 1 145 ALA N 1 145 ALA CA 1 145 ALA C  1 146 GLN N  -60.00    4.10  -42.75  -47.75  -39.99    .  . 0 "[    .    1    .    2]" 
       101 . 1 145 ALA C 1 146 GLN N  1 146 GLN CA 1 146 GLN C  -90.00  -40.56  -64.87  -70.80  -59.49    .  . 0 "[    .    1    .    2]" 
       102 . 1 146 GLN N 1 146 GLN CA 1 146 GLN C  1 147 ASN N  -60.00    9.68   -3.78   -7.69    4.82    .  . 0 "[    .    1    .    2]" 
       103 . 1 146 GLN C 1 147 ASN N  1 147 ASN CA 1 147 ASN C -120.00  -33.02 -104.28 -100.71 -104.11    .  . 0 "[    .    1    .    2]" 
       104 . 1 147 ASN N 1 147 ASN CA 1 147 ASN C  1 148 GLU N  -60.00   26.94   -4.73  -33.72   14.86    .  . 0 "[    .    1    .    2]" 
       105 . 1 148 GLU C 1 149 ARG N  1 149 ARG CA 1 149 ARG C  -80.00  -30.14  -55.40  -62.85  -49.44    .  . 0 "[    .    1    .    2]" 
       106 . 1 149 ARG N 1 149 ARG CA 1 149 ARG C  1 150 CYS N  -60.00  -10.02  -22.34  -19.08  -20.18    .  . 0 "[    .    1    .    2]" 
       107 . 1 149 ARG C 1 150 CYS N  1 150 CYS CA 1 150 CYS C  -90.00  -32.28  -58.74  -65.51  -51.26    .  . 0 "[    .    1    .    2]" 
       108 . 1 150 CYS N 1 150 CYS CA 1 150 CYS C  1 151 LEU N  -70.00   -9.36  -27.45  -26.15  -27.68    .  . 0 "[    .    1    .    2]" 
       109 . 1 150 CYS C 1 151 LEU N  1 151 LEU CA 1 151 LEU C  -90.00  -39.80  -72.32  -78.75  -66.52    .  . 0 "[    .    1    .    2]" 
       110 . 1 151 LEU N 1 151 LEU CA 1 151 LEU C  1 152 HIS N  -70.00  -11.86  -32.55  -31.64  -32.46    .  . 0 "[    .    1    .    2]" 
       111 . 1 151 LEU C 1 152 HIS N  1 152 HIS CA 1 152 HIS C  -90.00  -34.50  -60.33  -69.52  -54.25    .  . 0 "[    .    1    .    2]" 
       112 . 1 152 HIS N 1 152 HIS CA 1 152 HIS C  1 153 MET N  -70.00  -17.32  -38.48  -38.30  -39.22    .  . 0 "[    .    1    .    2]" 
       113 . 1 152 HIS C 1 153 MET N  1 153 MET CA 1 153 MET C  -90.00  -39.72  -78.81  -85.04  -66.81    .  . 0 "[    .    1    .    2]" 
       114 . 1 159 ILE C 1 160 ILE N  1 160 ILE CA 1 160 ILE C -160.00  -34.00  -76.39  -89.12  -63.82    .  . 0 "[    .    1    .    2]" 
       115 . 1 160 ILE N 1 160 ILE CA 1 160 ILE C  1 161 ASP N   90.00  168.48  112.66  116.05  115.65    .  . 0 "[    .    1    .    2]" 
       116 . 1 160 ILE C 1 161 ASP N  1 161 ASP CA 1 161 ASP C -100.00  -49.64  -88.72  -83.51  -86.80    .  . 0 "[    .    1    .    2]" 
       117 . 1 161 ASP N 1 161 ASP CA 1 161 ASP C  1 162 LYS N  100.00 -170.06  103.93   97.71  113.86 2.29 19 0 "[    .    1    .    2]" 
       118 . 1 161 ASP C 1 162 LYS N  1 162 LYS CA 1 162 LYS C -120.00  -26.04  -71.69  -71.87  -73.07    .  . 0 "[    .    1    .    2]" 
       119 . 1 162 LYS N 1 162 LYS CA 1 162 LYS C  1 163 SER N  -40.00   10.68    4.06   11.24   11.04 1.11 14 0 "[    .    1    .    2]" 
       120 . 1 162 LYS C 1 163 SER N  1 163 SER CA 1 163 SER C -130.00  -64.14 -116.56 -130.92 -106.90 0.92  8 0 "[    .    1    .    2]" 
       121 . 1 163 SER N 1 163 SER CA 1 163 SER C  1 164 TYR N  -40.00   17.62   17.34   11.28   20.62 3.00  9 0 "[    .    1    .    2]" 
       122 . 1 163 SER C 1 164 TYR N  1 164 TYR CA 1 164 TYR C -110.00  -26.32  -64.61  -64.55  -65.15    .  . 0 "[    .    1    .    2]" 
       123 . 1 164 TYR N 1 164 TYR CA 1 164 TYR C  1 165 THR N  100.00 -172.06 -171.86 -172.45 -174.18 1.98 19 0 "[    .    1    .    2]" 
       124 . 1 164 TYR C 1 165 THR N  1 165 THR CA 1 165 THR C -110.00  -37.50  -88.25  -89.38  -90.64    .  . 0 "[    .    1    .    2]" 
       125 . 1 165 THR N 1 165 THR CA 1 165 THR C  1 166 PRO N  110.00 -169.90  112.57  112.83  112.65 1.74 17 0 "[    .    1    .    2]" 
       126 . 1  39 LEU N 1  39 LEU CA 1  39 LEU C  1  40 GLU N  100.00  149.36  130.42  126.66  132.95    .  . 0 "[    .    1    .    2]" 
       127 . 1  39 LEU C 1  40 GLU N  1  40 GLU CA 1  40 GLU C -150.00  -65.70 -141.34 -148.73 -133.29    .  . 0 "[    .    1    .    2]" 
       128 . 1  40 GLU N 1  40 GLU CA 1  40 GLU C  1  41 ILE N  100.00  151.90  102.46   99.36  112.39 0.64 12 0 "[    .    1    .    2]" 
       129 . 1  41 ILE N 1  41 ILE CA 1  41 ILE C  1  42 ASP N  100.00  153.62  140.30  133.68  147.51    .  . 0 "[    .    1    .    2]" 
       130 . 1  41 ILE C 1  42 ASP N  1  42 ASP CA 1  42 ASP C -150.00  -89.00 -136.15 -137.20 -138.09    .  . 0 "[    .    1    .    2]" 
       131 . 1  42 ASP N 1  42 ASP CA 1  42 ASP C  1  43 VAL N  100.00  158.66  113.27  113.98  112.90    .  . 0 "[    .    1    .    2]" 
       132 . 1  43 VAL N 1  43 VAL CA 1  43 VAL C  1  44 SER N  100.00  150.78  133.12  135.04  134.34    .  . 0 "[    .    1    .    2]" 
       133 . 1  43 VAL C 1  44 SER N  1  44 SER CA 1  44 SER C -180.00 -106.72  179.82  178.43 -176.80 1.57 12 0 "[    .    1    .    2]" 
       134 . 1  44 SER N 1  44 SER CA 1  44 SER C  1  45 ASN N  120.00 -164.56 -163.23 -163.65 -164.30 3.02 17 0 "[    .    1    .    2]" 
       135 . 1  58 THR N 1  58 THR CA 1  58 THR C  1  59 TYR N  110.00 -168.04  145.78  153.39  152.36    .  . 0 "[    .    1    .    2]" 
       136 . 1  58 THR C 1  59 TYR N  1  59 TYR CA 1  59 TYR C -160.00  -76.98 -110.91 -116.78 -118.07    .  . 0 "[    .    1    .    2]" 
       137 . 1  59 TYR C 1  60 GLU N  1  60 GLU CA 1  60 GLU C -160.00  -83.76  -91.48 -103.48  -81.74 2.02  8 0 "[    .    1    .    2]" 
       138 . 1  59 TYR N 1  59 TYR CA 1  59 TYR C  1  60 GLU N  100.00  168.48  137.87  143.89  142.64    .  . 0 "[    .    1    .    2]" 
       139 . 1  60 GLU C 1  61 ILE N  1  61 ILE CA 1  61 ILE C -150.00  -94.52  -95.05 -102.73  -92.83 1.69  8 0 "[    .    1    .    2]" 
       140 . 1  60 GLU N 1  60 GLU CA 1  60 GLU C  1  61 ILE N  100.00  159.48  119.70  123.20  121.76    .  . 0 "[    .    1    .    2]" 
       141 . 1  61 ILE C 1  62 ARG N  1  62 ARG CA 1  62 ARG C -150.00  -77.74 -103.25 -110.50  -92.96    .  . 0 "[    .    1    .    2]" 
       142 . 1  62 ARG N 1  62 ARG CA 1  62 ARG C  1  63 VAL N  100.00  151.24  131.26  109.81  145.02    .  . 0 "[    .    1    .    2]" 
       143 . 1  61 ILE N 1  61 ILE CA 1  61 ILE C  1  62 ARG N  100.00  164.36  113.85  115.37  113.75    .  . 0 "[    .    1    .    2]" 
       144 . 1  63 VAL N 1  63 VAL CA 1  63 VAL C  1  64 LYS N  100.00  150.22  138.83  135.36  142.50    .  . 0 "[    .    1    .    2]" 
       145 . 1  63 VAL C 1  64 LYS N  1  64 LYS CA 1  64 LYS C -150.00  -80.04 -126.61 -125.93 -126.69    .  . 0 "[    .    1    .    2]" 
       146 . 1  64 LYS N 1  64 LYS CA 1  64 LYS C  1  65 THR N  100.00  150.22  137.99  133.74  143.61    .  . 0 "[    .    1    .    2]" 
       147 . 1  76 THR N 1  76 THR CA 1  76 THR C  1  77 VAL N  100.00  151.38  132.38  122.74  141.67    .  . 0 "[    .    1    .    2]" 
       148 . 1  76 THR C 1  77 VAL N  1  77 VAL CA 1  77 VAL C -160.00 -108.42 -129.66 -147.09 -113.49    .  . 0 "[    .    1    .    2]" 
       149 . 1  77 VAL N 1  77 VAL CA 1  77 VAL C  1  78 ARG N  130.00 -166.66  171.11  130.62 -176.39    .  . 0 "[    .    1    .    2]" 
       150 . 1  78 ARG N 1  78 ARG CA 1  78 ARG C  1  79 ARG N  100.00  152.40  118.02  121.35  118.59    .  . 0 "[    .    1    .    2]" 
       151 . 1  78 ARG C 1  79 ARG N  1  79 ARG CA 1  79 ARG C -160.00 -107.46 -136.12 -148.10 -151.26    .  . 0 "[    .    1    .    2]" 
       152 . 1  79 ARG N 1  79 ARG CA 1  79 ARG C  1  80 ARG N  120.00 -170.18  170.61 -177.66  179.60    .  . 0 "[    .    1    .    2]" 
       153 . 1  83 ASP N 1  83 ASP CA 1  83 ASP C  1  84 PHE N  -70.00  -14.80  -36.92  -45.24  -24.49    .  . 0 "[    .    1    .    2]" 
       154 . 1  83 ASP C 1  84 PHE N  1  84 PHE CA 1  84 PHE C  -80.00  -49.90  -63.39  -66.65  -59.48    .  . 0 "[    .    1    .    2]" 
       155 . 1  84 PHE N 1  84 PHE CA 1  84 PHE C  1  85 GLU N  -70.00  -19.86  -38.28  -38.02  -38.74    .  . 0 "[    .    1    .    2]" 
       156 . 1  86 TRP N 1  86 TRP CA 1  86 TRP C  1  87 LEU N  -70.00  -19.46  -30.03  -36.31  -23.46    .  . 0 "[    .    1    .    2]" 
       157 . 1  86 TRP C 1  87 LEU N  1  87 LEU CA 1  87 LEU C  -90.00  -31.98  -70.95  -69.35  -70.20    .  . 0 "[    .    1    .    2]" 
       158 . 1  87 LEU C 1  88 ARG N  1  88 ARG CA 1  88 ARG C  -80.00  -47.68  -56.95  -62.16  -50.61    .  . 0 "[    .    1    .    2]" 
       159 . 1  87 LEU N 1  87 LEU CA 1  87 LEU C  1  88 ARG N  -70.00  -17.76  -44.20  -42.00  -42.77    .  . 0 "[    .    1    .    2]" 
       160 . 1  88 ARG N 1  88 ARG CA 1  88 ARG C  1  89 SER N  -70.00  -19.64  -60.81  -64.93  -57.07    .  . 0 "[    .    1    .    2]" 
       161 . 1  89 SER N 1  89 SER CA 1  89 SER C  1  90 GLU N  -60.00  -25.78  -35.89  -42.21  -27.42    .  . 0 "[    .    1    .    2]" 
       162 . 1  89 SER C 1  90 GLU N  1  90 GLU CA 1  90 GLU C  -90.00  -39.72  -60.05  -58.31  -59.37    .  . 0 "[    .    1    .    2]" 
       163 . 1  90 GLU C 1  91 LEU N  1  91 LEU CA 1  91 LEU C  -90.00  -38.42  -65.64  -66.51  -71.06    .  . 0 "[    .    1    .    2]" 
       164 . 1  90 GLU N 1  90 GLU CA 1  90 GLU C  1  91 LEU N  -70.00  -17.44  -45.62  -56.45  -37.11    .  . 0 "[    .    1    .    2]" 
       165 . 1  91 LEU C 1  92 GLU N  1  92 GLU CA 1  92 GLU C  -90.00  -38.86  -73.54  -76.63  -82.03 0.18  4 0 "[    .    1    .    2]" 
       166 . 1  91 LEU N 1  91 LEU CA 1  91 LEU C  1  92 GLU N  -60.00  -12.94  -33.63  -42.36  -15.40    .  . 0 "[    .    1    .    2]" 
       167 . 1  92 GLU N 1  92 GLU CA 1  92 GLU C  1  93 ARG N  -70.00  -12.44  -32.85  -50.08  -18.33    .  . 0 "[    .    1    .    2]" 
       168 . 1 135 PHE N 1 135 PHE CA 1 135 PHE C  1 136 ILE N  -70.00   18.46  -53.07  -55.43  -51.63    .  . 0 "[    .    1    .    2]" 
       169 . 1 135 PHE C 1 136 ILE N  1 136 ILE CA 1 136 ILE C -110.00  -25.34  -64.56  -64.08  -64.23    .  . 0 "[    .    1    .    2]" 
       170 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C  1 137 ASN N  -70.00    8.14  -40.04  -43.80  -34.76    .  . 0 "[    .    1    .    2]" 
       171 . 1 138 LYS N 1 138 LYS CA 1 138 LYS C  1 139 VAL N  -60.00    7.52  -57.79  -56.98  -57.80    .  . 0 "[    .    1    .    2]" 
       172 . 1 138 LYS C 1 139 VAL N  1 139 VAL CA 1 139 VAL C  -90.00  -40.20  -65.75  -65.84  -66.05    .  . 0 "[    .    1    .    2]" 
       173 . 1 139 VAL C 1 140 ALA N  1 140 ALA CA 1 140 ALA C -120.00  -30.38 -107.97 -110.11 -111.18    .  . 0 "[    .    1    .    2]" 
       174 . 1 139 VAL N 1 139 VAL CA 1 139 VAL C  1 140 ALA N  -70.00  -16.58  -12.46  -13.31  -13.51 4.93 10 0 "[    .    1    .    2]" 
       175 . 1 140 ALA N 1 140 ALA CA 1 140 ALA C  1 141 GLY N  -40.00   10.02    1.15  -15.41   12.15 2.13 19 0 "[    .    1    .    2]" 
       176 . 1 153 MET N 1 153 MET CA 1 153 MET C  1 154 PHE N  -70.00  -19.42  -30.33  -26.76  -27.31    .  . 0 "[    .    1    .    2]" 
       177 . 1 153 MET C 1 154 PHE N  1 154 PHE CA 1 154 PHE C  -80.00  -36.20  -77.93  -80.17  -80.26 2.11 11 0 "[    .    1    .    2]" 
       178 . 1 154 PHE C 1 155 LEU N  1 155 LEU CA 1 155 LEU C -110.00  -58.58  -93.23  -88.79  -92.02 0.83 10 0 "[    .    1    .    2]" 
       179 . 1 154 PHE N 1 154 PHE CA 1 154 PHE C  1 155 LEU N  -70.00  -15.48  -49.60  -63.72  -26.71    .  . 0 "[    .    1    .    2]" 
       180 . 1 155 LEU N 1 155 LEU CA 1 155 LEU C  1 156 GLN N  -50.00   36.28  -30.46  -47.50    7.09    .  . 0 "[    .    1    .    2]" 
    stop_

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