NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype subsubtype
646801 6kjn cing 4-filtered-FRED Wattos check violation dihedral angle


data_6kjn


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              141
    _TA_constraint_stats_list.Viol_count                    143
    _TA_constraint_stats_list.Viol_total                    5519.27
    _TA_constraint_stats_list.Viol_max                      16.22
    _TA_constraint_stats_list.Viol_rms                      1.54
    _TA_constraint_stats_list.Viol_average_all_restraints   0.39
    _TA_constraint_stats_list.Viol_average_violations_only  3.86
    _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   5 LYS C 1   6 SER N  1   6 SER CA 1   6 SER C -141.00  -58.40 -102.05  -82.97 -110.59  5.15  7 1 "[    . +  1]" 
         2 . 1   6 SER N 1   6 SER CA 1   6 SER C  1   7 ILE N  117.00 -127.60  145.58  135.76  123.86  3.01  3 0 "[    .    1]" 
         3 . 1   6 SER C 1   7 ILE N  1   7 ILE CA 1   7 ILE C  -95.80  -39.80  -77.93 -101.15  -45.60  5.35  3 2 "[  + .    -]" 
         4 . 1   7 ILE N 1   7 ILE CA 1   7 ILE C  1   8 GLN N  -48.00   18.20  -35.66  -29.67  -33.81     .  . 0 "[    .    1]" 
         5 . 1  12 PRO N 1  12 PRO CA 1  12 PRO C  1  13 THR N  -50.90    3.90   -3.51  -29.22   13.27  9.37  9 1 "[    .   +1]" 
         6 . 1  12 PRO C 1  13 THR N  1  13 THR CA 1  13 THR C  -89.80  -49.80  -90.13  -96.40  -79.85  6.60  8 3 "[  *-.  + 1]" 
         7 . 1  13 THR N 1  13 THR CA 1  13 THR C  1  14 ILE N  -53.40    4.00  -23.76  -38.23   -4.75     .  . 0 "[    .    1]" 
         8 . 1  13 THR C 1  14 ILE N  1  14 ILE CA 1  14 ILE C -139.60  -27.80  -82.67  -95.36  -96.48     .  . 0 "[    .    1]" 
         9 . 1  14 ILE N 1  14 ILE CA 1  14 ILE C  1  15 LEU N  -69.00   36.20  -22.67    4.04   -0.15     .  . 0 "[    .    1]" 
        10 . 1  14 ILE C 1  15 LEU N  1  15 LEU CA 1  15 LEU C -114.50  -30.10  -82.23 -111.98  -49.38     .  . 0 "[    .    1]" 
        11 . 1  15 LEU N 1  15 LEU CA 1  15 LEU C  1  16 GLU N  -66.80   23.40  -29.66  -42.50  -17.09     .  . 0 "[    .    1]" 
        12 . 1  16 GLU C 1  17 ALA N  1  17 ALA CA 1  17 ALA C -105.20  -37.80  -63.95  -72.45  -55.43     .  . 0 "[    .    1]" 
        13 . 1  17 ALA N 1  17 ALA CA 1  17 ALA C  1  18 GLN N  -80.00   31.60  -38.05  -35.44  -37.76     .  . 0 "[    .    1]" 
        14 . 1  17 ALA C 1  18 GLN N  1  18 GLN CA 1  18 GLN C  -93.00  -43.60  -50.55  -54.61  -46.79     .  . 0 "[    .    1]" 
        15 . 1  18 GLN N 1  18 GLN CA 1  18 GLN C  1  19 ARG N  -58.20    3.20  -54.29  -60.15  -40.66  1.95  7 0 "[    .    1]" 
        16 . 1  20 GLY C 1  21 VAL N  1  21 VAL CA 1  21 VAL C -117.20  -33.60  -62.30  -62.79  -80.17     .  . 0 "[    .    1]" 
        17 . 1  21 VAL N 1  21 VAL CA 1  21 VAL C  1  22 LYS N  -64.00   24.00  -39.14  -48.80  -20.13     .  . 0 "[    .    1]" 
        18 . 1  26 LYS C 1  27 GLN N  1  27 GLN CA 1  27 GLN C  -82.50  -42.50  -59.04  -57.20  -61.85     .  . 0 "[    .    1]" 
        19 . 1  27 GLN N 1  27 GLN CA 1  27 GLN C  1  28 GLN N  -55.80   -8.60  -36.39  -47.14  -22.44     .  . 0 "[    .    1]" 
        20 . 1  27 GLN C 1  28 GLN N  1  28 GLN CA 1  28 GLN C -110.30  -40.10  -73.01  -71.82  -72.98     .  . 0 "[    .    1]" 
        21 . 1  28 GLN N 1  28 GLN CA 1  28 GLN C  1  29 LEU N  -49.70    5.70  -28.02  -38.53  -21.32     .  . 0 "[    .    1]" 
        22 . 1  29 LEU C 1  30 THR N  1  30 THR CA 1  30 THR C  -88.90  -41.30  -67.69  -81.70  -60.79     .  . 0 "[    .    1]" 
        23 . 1  30 THR N 1  30 THR CA 1  30 THR C  1  31 GLU N  -59.90  -17.90  -38.94  -39.32  -39.65     .  . 0 "[    .    1]" 
        24 . 1  30 THR C 1  31 GLU N  1  31 GLU CA 1  31 GLU C  -84.10  -44.10  -66.81  -65.87  -66.15     .  . 0 "[    .    1]" 
        25 . 1  31 GLU N 1  31 GLU CA 1  31 GLU C  1  32 ILE N  -58.10    4.50  -52.67  -56.62  -49.32     .  . 0 "[    .    1]" 
        26 . 1  31 GLU C 1  32 ILE N  1  32 ILE CA 1  32 ILE C -122.30  -45.90  -59.52  -59.49  -60.23     .  . 0 "[    .    1]" 
        27 . 1  32 ILE N 1  32 ILE CA 1  32 ILE C  1  33 ARG N  -46.20   41.80  -35.20  -34.90  -38.78     .  . 0 "[    .    1]" 
        28 . 1  33 ARG C 1  34 SER N  1  34 SER CA 1  34 SER C -134.00  -65.00  -93.22 -106.09  -70.66     .  . 0 "[    .    1]" 
        29 . 1  34 SER N 1  34 SER CA 1  34 SER C  1  35 MET N  -42.60   42.40   -8.21   -6.22  -13.84     .  . 0 "[    .    1]" 
        30 . 1  34 SER C 1  35 MET N  1  35 MET CA 1  35 MET C -117.00  -49.80  -72.18  -82.33  -56.95     .  . 0 "[    .    1]" 
        31 . 1  35 MET N 1  35 MET CA 1  35 MET C  1  36 VAL N   95.80  161.60  131.94  128.75  127.69     .  . 0 "[    .    1]" 
        32 . 1  38 PRO N 1  38 PRO CA 1  38 PRO C  1  39 PRO N  122.40  171.20  161.56  166.20  165.55     .  . 0 "[    .    1]" 
        33 . 1  39 PRO N 1  39 PRO CA 1  39 PRO C  1  40 SER N  124.30  164.30  158.07  152.63  164.22     .  . 0 "[    .    1]" 
        34 . 1  41 GLY C 1  42 VAL N  1  42 VAL CA 1  42 VAL C -104.80  -34.20  -70.19  -68.66  -70.22     .  . 0 "[    .    1]" 
        35 . 1  42 VAL N 1  42 VAL CA 1  42 VAL C  1  43 LYS N  -66.00   26.60  -49.32  -51.37  -47.50     .  . 0 "[    .    1]" 
        36 . 1  42 VAL C 1  43 LYS N  1  43 LYS CA 1  43 LYS C  -84.70  -44.70  -55.81  -58.64  -52.70     .  . 0 "[    .    1]" 
        37 . 1  43 LYS N 1  43 LYS CA 1  43 LYS C  1  44 ILE N  -56.70  -16.70  -49.96  -54.26  -44.39     .  . 0 "[    .    1]" 
        38 . 1  43 LYS C 1  44 ILE N  1  44 ILE CA 1  44 ILE C  -91.10  -44.50  -60.88  -59.95  -60.46     .  . 0 "[    .    1]" 
        39 . 1  44 ILE N 1  44 ILE CA 1  44 ILE C  1  45 VAL N  -54.10   13.90  -40.18  -46.07  -36.15     .  . 0 "[    .    1]" 
        40 . 1  44 ILE C 1  45 VAL N  1  45 VAL CA 1  45 VAL C -100.90  -38.30  -61.07  -58.19  -58.76     .  . 0 "[    .    1]" 
        41 . 1  45 VAL N 1  45 VAL CA 1  45 VAL C  1  46 MET N  -60.30    6.90  -43.33  -47.80  -30.04     .  . 0 "[    .    1]" 
        42 . 1  45 VAL C 1  46 MET N  1  46 MET CA 1  46 MET C  -84.70  -44.70  -63.98  -61.85  -62.98     .  . 0 "[    .    1]" 
        43 . 1  46 MET N 1  46 MET CA 1  46 MET C  1  47 GLU N  -54.30  -14.30  -35.07  -32.99  -35.09     .  . 0 "[    .    1]" 
        44 . 1  46 MET C 1  47 GLU N  1  47 GLU CA 1  47 GLU C  -89.70  -42.30  -63.58  -67.70  -57.18     .  . 0 "[    .    1]" 
        45 . 1  47 GLU N 1  47 GLU CA 1  47 GLU C  1  48 ALA N  -70.30    4.50  -44.60  -47.86  -40.94     .  . 0 "[    .    1]" 
        46 . 1  47 GLU C 1  48 ALA N  1  48 ALA CA 1  48 ALA C  -87.60  -47.60  -58.21  -60.23  -56.36     .  . 0 "[    .    1]" 
        47 . 1  48 ALA N 1  48 ALA CA 1  48 ALA C  1  49 VAL N  -57.70   -9.70  -43.01  -50.14  -37.25     .  . 0 "[    .    1]" 
        48 . 1  48 ALA C 1  49 VAL N  1  49 VAL CA 1  49 VAL C  -83.20  -43.20  -60.22  -62.58  -64.63     .  . 0 "[    .    1]" 
        49 . 1  49 VAL N 1  49 VAL CA 1  49 VAL C  1  50 CYS N  -63.80  -23.80  -39.92  -34.23  -37.53     .  . 0 "[    .    1]" 
        50 . 1  49 VAL C 1  50 CYS N  1  50 CYS CA 1  50 CYS C  -79.00  -39.00  -62.74  -65.15  -58.42     .  . 0 "[    .    1]" 
        51 . 1  50 CYS N 1  50 CYS CA 1  50 CYS C  1  51 ALA N  -60.70  -20.70  -38.99  -40.78  -42.01     .  . 0 "[    .    1]" 
        52 . 1  50 CYS C 1  51 ALA N  1  51 ALA CA 1  51 ALA C  -84.90  -44.90  -64.76  -71.97  -61.86     .  . 0 "[    .    1]" 
        53 . 1  51 ALA N 1  51 ALA CA 1  51 ALA C  1  52 ILE N  -58.90  -18.90  -46.34  -53.97  -42.18     .  . 0 "[    .    1]" 
        54 . 1  51 ALA C 1  52 ILE N  1  52 ILE CA 1  52 ILE C  -86.40  -46.40  -55.02  -56.64  -52.99     .  . 0 "[    .    1]" 
        55 . 1  52 ILE N 1  52 ILE CA 1  52 ILE C  1  53 LEU N  -42.20   -2.20  -41.47  -42.65  -43.04  1.11  9 0 "[    .    1]" 
        56 . 1  52 ILE C 1  53 LEU N  1  53 LEU CA 1  53 LEU C -116.40  -75.20  -69.76  -70.68  -72.45  7.79  8 7 "[ ***. *+*-]" 
        57 . 1  53 LEU N 1  53 LEU CA 1  53 LEU C  1  54 GLY N  -14.70   33.90  -17.05  -23.00   -8.50  8.30  8 2 "[    -  + 1]" 
        58 . 1  54 GLY C 1  55 TYR N  1  55 TYR CA 1  55 TYR C -146.60  -40.20 -121.37 -124.17 -126.28     .  . 0 "[    .    1]" 
        59 . 1  55 TYR N 1  55 TYR CA 1  55 TYR C  1  56 GLN N   96.10  167.50  129.89  130.82  130.67     .  . 0 "[    .    1]" 
        60 . 1  56 GLN C 1  57 PHE N  1  57 PHE CA 1  57 PHE C -173.80  -79.80  -82.00  -79.46  -88.12  6.67  2 4 "[ +-*.*   1]" 
        61 . 1  57 PHE N 1  57 PHE CA 1  57 PHE C  1  58 SER N  126.00  179.60  136.46  125.18 -173.36  7.04  8 1 "[    .  + 1]" 
        62 . 1  57 PHE C 1  58 SER N  1  58 SER CA 1  58 SER C -147.00  -65.60 -149.05 -154.80 -124.27  7.80  4 4 "[   +*-  *1]" 
        63 . 1  58 SER N 1  58 SER CA 1  58 SER C  1  59 ASN N  134.20  176.40  164.00  164.72  163.07  2.56  8 0 "[    .    1]" 
        64 . 1  58 SER C 1  59 ASN N  1  59 ASN CA 1  59 ASN C  178.50  -58.10 -121.16 -172.96 -105.00     .  . 0 "[    .    1]" 
        65 . 1  59 ASN N 1  59 ASN CA 1  59 ASN C  1  60 TRP N  135.50 -157.50  163.60  164.97  162.04     .  . 0 "[    .    1]" 
        66 . 1  59 ASN C 1  60 TRP N  1  60 TRP CA 1  60 TRP C -119.40  -44.60  -55.63  -59.65  -41.09  3.51  8 0 "[    .    1]" 
        67 . 1  60 TRP N 1  60 TRP CA 1  60 TRP C  1  61 ARG N  -33.10   23.70  -39.88  -40.31  -42.42 11.24  6 8 "[*** *+- **]" 
        68 . 1  61 ARG C 1  62 ASP N  1  62 ASP CA 1  62 ASP C  -97.40  -40.20  -56.95  -51.58  -55.46     .  . 0 "[    .    1]" 
        69 . 1  62 ASP N 1  62 ASP CA 1  62 ASP C  1  63 ILE N  -65.80   17.20  -36.86  -41.84  -17.68     .  . 0 "[    .    1]" 
        70 . 1  62 ASP C 1  63 ILE N  1  63 ILE CA 1  63 ILE C  -89.70  -45.50  -67.06  -79.19  -60.95     .  . 0 "[    .    1]" 
        71 . 1  63 ILE N 1  63 ILE CA 1  63 ILE C  1  64 GLN N  -55.30   -8.30  -42.98  -57.46  -39.49  2.16  8 0 "[    .    1]" 
        72 . 1  63 ILE C 1  64 GLN N  1  64 GLN CA 1  64 GLN C -106.40  -41.60  -59.47  -62.20  -56.92     .  . 0 "[    .    1]" 
        73 . 1  64 GLN N 1  64 GLN CA 1  64 GLN C  1  65 GLN N  -64.50   24.70  -43.28  -46.16  -46.94     .  . 0 "[    .    1]" 
        74 . 1  64 GLN C 1  65 GLN N  1  65 GLN CA 1  65 GLN C  -91.60  -41.20  -60.52  -62.38  -57.23     .  . 0 "[    .    1]" 
        75 . 1  65 GLN N 1  65 GLN CA 1  65 GLN C  1  66 PHE N  -45.00    7.60  -41.68  -40.26  -41.08  1.57  8 0 "[    .    1]" 
        76 . 1  65 GLN C 1  66 PHE N  1  66 PHE CA 1  66 PHE C -121.90  -27.70  -66.02  -79.93  -60.79     .  . 0 "[    .    1]" 
        77 . 1  66 PHE N 1  66 PHE CA 1  66 PHE C  1  67 ILE N  -65.30   28.90  -52.59  -59.24  -61.32     .  . 0 "[    .    1]" 
        78 . 1  66 PHE C 1  67 ILE N  1  67 ILE CA 1  67 ILE C -119.00  -55.80  -66.51 -108.19  -54.23  1.57  1 0 "[    .    1]" 
        79 . 1  67 ILE N 1  67 ILE CA 1  67 ILE C  1  68 ARG N  -40.60   39.00  -20.45  -32.92  -34.09  1.51  9 0 "[    .    1]" 
        80 . 1  69 LYS C 1  70 ASP N  1  70 ASP CA 1  70 ASP C  -87.30  -47.30  -67.75  -65.88  -67.10     .  . 0 "[    .    1]" 
        81 . 1  70 ASP N 1  70 ASP CA 1  70 ASP C  1  71 ASP N  -55.50  -10.50  -16.38  -65.25   -7.43  9.75  8 1 "[    .  + 1]" 
        82 . 1  70 ASP C 1  71 ASP N  1  71 ASP CA 1  71 ASP C -115.40  -37.00  -92.31  -92.33  -97.21     .  . 0 "[    .    1]" 
        83 . 1  71 ASP N 1  71 ASP CA 1  71 ASP C  1  72 PHE N  -68.40   26.60   11.61   -9.91   30.06  3.46  8 0 "[    .    1]" 
        84 . 1  71 ASP C 1  72 PHE N  1  72 PHE CA 1  72 PHE C  -77.10  -37.10  -57.41  -58.44  -59.13     .  . 0 "[    .    1]" 
        85 . 1  72 PHE N 1  72 PHE CA 1  72 PHE C  1  73 ILE N  -57.30  -17.30  -49.70  -43.52  -49.05     .  . 0 "[    .    1]" 
        86 . 1  72 PHE C 1  73 ILE N  1  73 ILE CA 1  73 ILE C -122.90  -45.90  -80.01  -94.97  -68.07     .  . 0 "[    .    1]" 
        87 . 1  73 ILE N 1  73 ILE CA 1  73 ILE C  1  74 HIS N  -68.70   40.90  -32.34  -32.78  -35.65     .  . 0 "[    .    1]" 
        88 . 1  75 ASN C 1  76 ILE N  1  76 ILE CA 1  76 ILE C  -86.50  -46.50  -63.52  -66.42  -61.14     .  . 0 "[    .    1]" 
        89 . 1  76 ILE N 1  76 ILE CA 1  76 ILE C  1  77 VAL N  -67.40   10.80  -38.18  -43.46  -33.37     .  . 0 "[    .    1]" 
        90 . 1  76 ILE C 1  77 VAL N  1  77 VAL CA 1  77 VAL C  -94.40  -54.40  -83.41  -83.89  -85.69     .  . 0 "[    .    1]" 
        91 . 1  77 VAL N 1  77 VAL CA 1  77 VAL C  1  78 HIS N  -56.60   13.40  -36.65  -46.16  -22.18     .  . 0 "[    .    1]" 
        92 . 1  78 HIS C 1  79 TYR N  1  79 TYR CA 1  79 TYR C -149.30  -52.30  -52.12  -49.70  -51.15  5.56  3 1 "[  + .    1]" 
        93 . 1  79 TYR N 1  79 TYR CA 1  79 TYR C  1  80 ASP N   78.00  151.80  131.41   89.17  155.77  3.97  9 0 "[    .    1]" 
        94 . 1  80 ASP C 1  81 THR N  1  81 THR CA 1  81 THR C  -80.60  -40.60  -72.65  -82.17  -59.78  1.57  6 0 "[    .    1]" 
        95 . 1  81 THR N 1  81 THR CA 1  81 THR C  1  82 THR N  -58.10    5.30  -29.77  -41.22  -43.74     .  . 0 "[    .    1]" 
        96 . 1  82 THR C 1  83 LEU N  1  83 LEU CA 1  83 LEU C -124.40  -56.20  -77.75 -126.61  -51.41  4.79  1 0 "[    .    1]" 
        97 . 1  83 LEU N 1  83 LEU CA 1  83 LEU C  1  84 HIS N   81.80  173.60  127.76   79.89  170.76  1.91  4 0 "[    .    1]" 
        98 . 1  87 PRO C 1  88 GLN N  1  88 GLN CA 1  88 GLN C  -90.70  -45.70  -77.49  -65.50  -94.64  8.31  4 3 "[*  +.-   1]" 
        99 . 1  88 GLN N 1  88 GLN CA 1  88 GLN C  1  89 ILE N  -53.70    3.90  -15.77  -36.41    5.22  1.32 10 0 "[    .    1]" 
       100 . 1  88 GLN C 1  89 ILE N  1  89 ILE CA 1  89 ILE C  -98.30  -42.70  -71.02  -61.36  -63.80     .  . 0 "[    .    1]" 
       101 . 1  89 ILE N 1  89 ILE CA 1  89 ILE C  1  90 ARG N  -73.80   14.40  -41.20  -72.88  -10.76     .  . 0 "[    .    1]" 
       102 . 1  90 ARG C 1  91 LYS N  1  91 LYS CA 1  91 LYS C  -86.50  -43.10  -69.94  -83.82  -61.61     .  . 0 "[    .    1]" 
       103 . 1  91 LYS N 1  91 LYS CA 1  91 LYS C  1  92 TYR N  -68.70   -7.90  -26.22  -14.05  -25.05  1.04  2 0 "[    .    1]" 
       104 . 1  91 LYS C 1  92 TYR N  1  92 TYR CA 1  92 TYR C  -94.00  -54.00  -75.94  -94.99  -51.53  2.47  4 0 "[    .    1]" 
       105 . 1  92 TYR N 1  92 TYR CA 1  92 TYR C  1  93 MET N  -63.30   29.10  -64.30  -57.44  -63.25  5.66  1 1 "[+   .    1]" 
       106 . 1  99 SER C 1 100 ASP N  1 100 ASP CA 1 100 ASP C -134.20  -20.40  -83.49  -87.17  -99.49     .  . 0 "[    .    1]" 
       107 . 1 100 ASP N 1 100 ASP CA 1 100 ASP C  1 101 PRO N   85.00 -177.00  113.48  157.00  139.44     .  . 0 "[    .    1]" 
       108 . 1 103 PHE C 1 104 THR N  1 104 THR CA 1 104 THR C -173.50  -45.30 -122.19 -125.61 -127.28     .  . 0 "[    .    1]" 
       109 . 1 104 THR N 1 104 THR CA 1 104 THR C  1 105 TYR N  116.00 -176.40  149.34  153.89  150.88     .  . 0 "[    .    1]" 
       110 . 1 105 TYR C 1 106 GLU N  1 106 GLU CA 1 106 GLU C  -95.10  -43.50  -66.06  -77.66  -46.15     .  . 0 "[    .    1]" 
       111 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C  1 107 THR N  -59.00   27.60  -53.04  -59.36  -60.29  1.29  1 0 "[    .    1]" 
       112 . 1 106 GLU C 1 107 THR N  1 107 THR CA 1 107 THR C  -94.50  -41.90  -54.34  -60.05  -44.62     .  . 0 "[    .    1]" 
       113 . 1 107 THR N 1 107 THR CA 1 107 THR C  1 108 ILE N  -60.90    2.10  -46.35  -50.71  -56.03     .  . 0 "[    .    1]" 
       114 . 1 107 THR C 1 108 ILE N  1 108 ILE CA 1 108 ILE C  -94.20  -41.20  -64.72  -74.22  -60.30     .  . 0 "[    .    1]" 
       115 . 1 108 ILE N 1 108 ILE CA 1 108 ILE C  1 109 ASN N  -50.80   -1.00  -44.69  -47.89  -39.32     .  . 0 "[    .    1]" 
       116 . 1 117 PRO N 1 117 PRO CA 1 117 PRO C  1 118 LEU N  -46.60    0.80  -33.65  -32.77  -34.15     .  . 0 "[    .    1]" 
       117 . 1 117 PRO C 1 118 LEU N  1 118 LEU CA 1 118 LEU C -101.80  -54.00  -69.74  -69.54  -69.93     .  . 0 "[    .    1]" 
       118 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C  1 119 TYR N  -55.70   21.50  -51.29  -51.34  -52.66     .  . 0 "[    .    1]" 
       119 . 1 119 TYR C 1 120 GLN N  1 120 GLN CA 1 120 GLN C  -93.80  -42.60  -67.95  -60.23  -86.38  0.47  9 0 "[    .    1]" 
       120 . 1 120 GLN N 1 120 GLN CA 1 120 GLN C  1 121 TRP N  -79.30   16.50  -45.33  -47.65  -42.37     .  . 0 "[    .    1]" 
       121 . 1 120 GLN C 1 121 TRP N  1 121 TRP CA 1 121 TRP C  -82.20  -42.20  -54.12  -57.23  -48.16     .  . 0 "[    .    1]" 
       122 . 1 121 TRP N 1 121 TRP CA 1 121 TRP C  1 122 VAL N  -59.60  -19.60  -47.81  -48.20  -49.64     .  . 0 "[    .    1]" 
       123 . 1 121 TRP C 1 122 VAL N  1 122 VAL CA 1 122 VAL C  -81.80  -41.80  -62.42  -58.89  -61.17     .  . 0 "[    .    1]" 
       124 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C  1 123 ASN N  -59.10  -19.10  -48.54  -60.86  -37.91  1.76  9 0 "[    .    1]" 
       125 . 1 122 VAL C 1 123 ASN N  1 123 ASN CA 1 123 ASN C  -98.00  -42.00  -54.94  -65.86  -42.08     .  . 0 "[    .    1]" 
       126 . 1 123 ASN N 1 123 ASN CA 1 123 ASN C  1 124 ALA N  -70.80   24.60  -40.68  -40.79  -43.83     .  . 0 "[    .    1]" 
       127 . 1 125 GLN C 1 126 ILE N  1 126 ILE CA 1 126 ILE C  -90.60  -43.20  -99.98  -98.18 -101.11 16.22  8 9  [***-.**+**]  
       128 . 1 126 ILE N 1 126 ILE CA 1 126 ILE C  1 127 ASN N  -68.70   12.10  -45.52  -24.10  -49.38     .  . 0 "[    .    1]" 
       129 . 1 128 PHE C 1 129 SER N  1 129 SER CA 1 129 SER C  -99.90  -39.90  -69.17  -72.02  -77.02     .  . 0 "[    .    1]" 
       130 . 1 129 SER N 1 129 SER CA 1 129 SER C  1 130 LYS N  -66.30   25.50   11.16   -4.01   27.36  1.86  1 0 "[    .    1]" 
       131 . 1 130 LYS C 1 131 CYS N  1 131 CYS CA 1 131 CYS C  -87.00  -47.00  -65.16  -79.11  -57.26     .  . 0 "[    .    1]" 
       132 . 1 131 CYS N 1 131 CYS CA 1 131 CYS C  1 132 LEU N  -58.20    2.80  -28.76  -44.34  -15.20     .  . 0 "[    .    1]" 
       133 . 1 131 CYS C 1 132 LEU N  1 132 LEU CA 1 132 LEU C -124.90  -52.90  -79.21  -70.53  -74.30     .  . 0 "[    .    1]" 
       134 . 1 132 LEU N 1 132 LEU CA 1 132 LEU C  1 133 GLU N  -53.40   36.60  -21.66  -39.88   -5.87     .  . 0 "[    .    1]" 
       135 . 1 135 VAL C 1 136 ASP N  1 136 ASP CA 1 136 ASP C -119.50  -47.10  -82.64 -125.32  -50.09  5.82  4 1 "[   +.    1]" 
       136 . 1 136 ASP N 1 136 ASP CA 1 136 ASP C  1 137 PRO N  117.50  163.50  140.88  153.61  135.56     .  . 0 "[    .    1]" 
       137 . 1 137 PRO N 1 137 PRO CA 1 137 PRO C  1 138 LEU N  129.90  169.90  154.51  139.78  172.01  2.11  6 0 "[    .    1]" 
       138 . 1 137 PRO C 1 138 LEU N  1 138 LEU CA 1 138 LEU C -164.50  -43.50  -99.44 -158.98  -49.78     .  . 0 "[    .    1]" 
       139 . 1 138 LEU N 1 138 LEU CA 1 138 LEU C  1 139 ARG N   94.80  170.40  132.25  100.89  171.70  1.30  9 0 "[    .    1]" 
       140 . 1 139 ARG C 1 140 GLN N  1 140 GLN CA 1 140 GLN C -134.10  -58.50 -105.49 -109.04 -125.11  1.17  1 0 "[    .    1]" 
       141 . 1 140 GLN N 1 140 GLN CA 1 140 GLN C  1 141 GLU N   77.40  142.80  115.44  100.42  140.09     .  . 0 "[    .    1]" 
    stop_

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