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
502137 2l9p 17481 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2l9p


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              202
    _TA_constraint_stats_list.Viol_count                    766
    _TA_constraint_stats_list.Viol_total                    29903.12
    _TA_constraint_stats_list.Viol_max                      8.15
    _TA_constraint_stats_list.Viol_rms                      1.03
    _TA_constraint_stats_list.Viol_average_all_restraints   0.37
    _TA_constraint_stats_list.Viol_average_violations_only  1.95
    _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   3 ILE C 1   4 GLU N  1   4 GLU CA 1   4 GLU C -159.00  -95.00 -100.16 -147.65  -91.06 3.94  1  0 "[    .    1    .    2]" 
         2 . 1   4 GLU N 1   4 GLU CA 1   4 GLU C  1   5 LYS N  103.00  151.00  133.80  102.51  151.08 0.49 17  0 "[    .    1    .    2]" 
         3 . 1   4 GLU C 1   5 LYS N  1   5 LYS CA 1   5 LYS C -133.00  -81.00 -121.56 -136.27  -96.47 3.27 12  0 "[    .    1    .    2]" 
         4 . 1   5 LYS N 1   5 LYS CA 1   5 LYS C  1   6 LYS N   89.00  141.00  126.23  104.35  141.74 0.74 12  0 "[    .    1    .    2]" 
         5 . 1   5 LYS C 1   6 LYS N  1   6 LYS CA 1   6 LYS C -137.00  -65.00 -115.18 -114.13 -116.02 0.84 13  0 "[    .    1    .    2]" 
         6 . 1   6 LYS N 1   6 LYS CA 1   6 LYS C  1   7 LYS N   48.00 -116.00  106.28   60.90 -159.02    .  .  0 "[    .    1    .    2]" 
         7 . 1   8 ASN C 1   9 LYS N  1   9 LYS CA 1   9 LYS C -148.00  -52.00 -134.28 -151.48  -79.98 3.48 10  0 "[    .    1    .    2]" 
         8 . 1   9 LYS N 1   9 LYS CA 1   9 LYS C  1  10 ILE N   95.00 -149.00  134.27  131.99  130.41    .  .  0 "[    .    1    .    2]" 
         9 . 1   9 LYS C 1  10 ILE N  1  10 ILE CA 1  10 ILE C -138.00 -118.00 -118.79 -131.12 -114.34 3.66 16  0 "[    .    1    .    2]" 
        10 . 1  10 ILE N 1  10 ILE CA 1  10 ILE C  1  11 ILE N  106.00  154.00  115.79  103.97  131.66 2.03  2  0 "[    .    1    .    2]" 
        11 . 1  10 ILE C 1  11 ILE N  1  11 ILE CA 1  11 ILE C -144.00  -72.00  -94.18  -86.04  -88.63    .  .  0 "[    .    1    .    2]" 
        12 . 1  11 ILE N 1  11 ILE CA 1  11 ILE C  1  12 PHE N  108.00  136.00  106.32  103.79  110.91 4.21  2  0 "[    .    1    .    2]" 
        13 . 1  11 ILE C 1  12 PHE N  1  12 PHE CA 1  12 PHE C -138.00 -102.00 -103.32 -115.87  -99.05 2.95 14  0 "[    .    1    .    2]" 
        14 . 1  12 PHE N 1  12 PHE CA 1  12 PHE C  1  13 THR N  104.00  148.00  134.00  104.55  149.01 1.01 13  0 "[    .    1    .    2]" 
        15 . 1  12 PHE C 1  13 THR N  1  13 THR CA 1  13 THR C -139.00 -103.00 -124.19 -140.61 -140.94 3.14  7  0 "[    .    1    .    2]" 
        16 . 1  13 THR N 1  13 THR CA 1  13 THR C  1  14 ARG N  116.00  148.00  139.45  121.08  149.42 1.42 12  0 "[    .    1    .    2]" 
        17 . 1  13 THR C 1  14 ARG N  1  14 ARG CA 1  14 ARG C -162.00  -98.00 -152.31 -134.79 -145.79    .  .  0 "[    .    1    .    2]" 
        18 . 1  14 ARG N 1  14 ARG CA 1  14 ARG C  1  15 THR N  103.00  167.00  137.45  124.48  160.96    .  .  0 "[    .    1    .    2]" 
        19 . 1  14 ARG C 1  15 THR N  1  15 THR CA 1  15 THR C -139.00  -91.00 -105.60 -133.02  -90.43 0.57  1  0 "[    .    1    .    2]" 
        20 . 1  15 THR N 1  15 THR CA 1  15 THR C  1  16 PHE N  111.00  147.00  120.45  106.56  143.75 4.44 10  0 "[    .    1    .    2]" 
        21 . 1  15 THR C 1  16 PHE N  1  16 PHE CA 1  16 PHE C -152.00  -96.00 -106.32  -93.02  -93.65 2.98  2  0 "[    .    1    .    2]" 
        22 . 1  16 PHE N 1  16 PHE CA 1  16 PHE C  1  17 SER N  104.00  172.00  135.82  131.06  128.16    .  .  0 "[    .    1    .    2]" 
        23 . 1  16 PHE C 1  17 SER N  1  17 SER CA 1  17 SER C -119.00  -71.00  -80.76  -96.51  -70.76 0.24 16  0 "[    .    1    .    2]" 
        24 . 1  17 SER N 1  17 SER CA 1  17 SER C  1  18 ALA N   98.00  146.00   92.88   89.85   95.42 8.15  6  9 "[ *  *+   -* * * *  *]" 
        25 . 1  19 PRO C 1  20 ILE N  1  20 ILE CA 1  20 ILE C  -69.00  -29.00  -58.72  -69.88  -49.75 0.88  2  0 "[    .    1    .    2]" 
        26 . 1  20 ILE N 1  20 ILE CA 1  20 ILE C  1  21 ASN N  -68.00  -24.00  -26.36  -31.26  -35.10 2.05  6  0 "[    .    1    .    2]" 
        27 . 1  20 ILE C 1  21 ASN N  1  21 ASN CA 1  21 ASN C  -77.00  -45.00  -60.48  -63.83  -63.93    .  .  0 "[    .    1    .    2]" 
        28 . 1  21 ASN N 1  21 ASN CA 1  21 ASN C  1  22 LYS N  -54.00  -30.00  -48.85  -50.17  -51.77 4.45  5  0 "[    .    1    .    2]" 
        29 . 1  21 ASN C 1  22 LYS N  1  22 LYS CA 1  22 LYS C  -79.00  -51.00  -70.64  -82.36  -60.23 3.36 17  0 "[    .    1    .    2]" 
        30 . 1  22 LYS N 1  22 LYS CA 1  22 LYS C  1  23 VAL N  -58.00  -18.00  -35.55  -47.85  -23.09    .  .  0 "[    .    1    .    2]" 
        31 . 1  22 LYS C 1  23 VAL N  1  23 VAL CA 1  23 VAL C  -80.00  -44.00  -63.76  -63.23  -64.26    .  .  0 "[    .    1    .    2]" 
        32 . 1  23 VAL N 1  23 VAL CA 1  23 VAL C  1  24 PHE N  -60.00  -32.00  -41.98  -55.92  -34.34    .  .  0 "[    .    1    .    2]" 
        33 . 1  23 VAL C 1  24 PHE N  1  24 PHE CA 1  24 PHE C  -70.00  -50.00  -66.39  -66.55  -69.19 1.46 14  0 "[    .    1    .    2]" 
        34 . 1  24 PHE N 1  24 PHE CA 1  24 PHE C  1  25 ASP N  -60.00  -24.00  -45.66  -48.12  -51.26    .  .  0 "[    .    1    .    2]" 
        35 . 1  25 ASP C 1  26 ALA N  1  26 ALA CA 1  26 ALA C  -99.00  -51.00  -64.76  -74.83  -51.98    .  .  0 "[    .    1    .    2]" 
        36 . 1  26 ALA N 1  26 ALA CA 1  26 ALA C  1  27 TYR N  -71.00   -3.00  -31.12  -33.64  -38.43    .  .  0 "[    .    1    .    2]" 
        37 . 1  26 ALA C 1  27 TYR N  1  27 TYR CA 1  27 TYR C -112.00  -48.00  -97.17 -107.62  -89.99    .  .  0 "[    .    1    .    2]" 
        38 . 1  27 TYR N 1  27 TYR CA 1  27 TYR C  1  28 THR N  -65.00   -5.00  -16.26  -32.08   -4.09 0.91 16  0 "[    .    1    .    2]" 
        39 . 1  27 TYR C 1  28 THR N  1  28 THR CA 1  28 THR C -144.00  -80.00 -109.58 -113.98 -117.43    .  .  0 "[    .    1    .    2]" 
        40 . 1  28 THR N 1  28 THR CA 1  28 THR C  1  29 LYS N  -23.00   29.00  -20.10  -25.79   -5.63 2.79  8  0 "[    .    1    .    2]" 
        41 . 1  28 THR C 1  29 LYS N  1  29 LYS CA 1  29 LYS C -128.00  -48.00 -121.14 -123.49 -125.84 2.48  4  0 "[    .    1    .    2]" 
        42 . 1  29 LYS N 1  29 LYS CA 1  29 LYS C  1  30 ARG N   78.00  154.00  130.79  135.48  134.12    .  .  0 "[    .    1    .    2]" 
        43 . 1  29 LYS C 1  30 ARG N  1  30 ARG CA 1  30 ARG C  -70.00  -38.00  -68.33  -70.85  -70.90 1.48  3  0 "[    .    1    .    2]" 
        44 . 1  30 ARG N 1  30 ARG CA 1  30 ARG C  1  31 GLU N  -65.00   -9.00  -32.60  -27.02  -30.59    .  .  0 "[    .    1    .    2]" 
        45 . 1  30 ARG C 1  31 GLU N  1  31 GLU CA 1  31 GLU C  -81.00  -49.00  -53.63  -51.27  -53.65 2.47 12  0 "[    .    1    .    2]" 
        46 . 1  31 GLU N 1  31 GLU CA 1  31 GLU C  1  32 LEU N  -61.00    3.00  -28.74  -52.57  -16.34    .  .  0 "[    .    1    .    2]" 
        47 . 1  31 GLU C 1  32 LEU N  1  32 LEU CA 1  32 LEU C -109.00  -49.00  -98.58 -110.00  -78.28 1.00  7  0 "[    .    1    .    2]" 
        48 . 1  32 LEU N 1  32 LEU CA 1  32 LEU C  1  33 PHE N  -68.00   24.00  -40.81  -37.72  -39.19    .  .  0 "[    .    1    .    2]" 
        49 . 1  32 LEU C 1  33 PHE N  1  33 PHE CA 1  33 PHE C  -78.00  -46.00  -54.17  -54.36  -54.70    .  .  0 "[    .    1    .    2]" 
        50 . 1  33 PHE N 1  33 PHE CA 1  33 PHE C  1  34 GLU N  -53.00  -21.00  -50.43  -54.56  -42.53 1.56 18  0 "[    .    1    .    2]" 
        51 . 1  33 PHE C 1  34 GLU N  1  34 GLU CA 1  34 GLU C  -95.00  -47.00  -72.66  -76.05  -76.76    .  .  0 "[    .    1    .    2]" 
        52 . 1  34 GLU N 1  34 GLU CA 1  34 GLU C  1  35 GLN N  -41.00   11.00   -6.65  -23.55   10.79    .  .  0 "[    .    1    .    2]" 
        53 . 1  42 ALA C 1  43 SER N  1  43 SER CA 1  43 SER C  179.00  -81.00  -98.54 -137.29  -82.72    .  .  0 "[    .    1    .    2]" 
        54 . 1  43 SER N 1  43 SER CA 1  43 SER C  1  44 VAL N  124.00  180.00 -178.03  177.63 -175.38 4.62 19  0 "[    .    1    .    2]" 
        55 . 1  43 SER C 1  44 VAL N  1  44 VAL CA 1  44 VAL C -148.00 -100.00 -143.85 -142.04 -144.15 1.94 15  0 "[    .    1    .    2]" 
        56 . 1  44 VAL N 1  44 VAL CA 1  44 VAL C  1  45 THR N  103.00  151.00  135.08  134.07  125.60 0.95  3  0 "[    .    1    .    2]" 
        57 . 1  44 VAL C 1  45 THR N  1  45 THR CA 1  45 THR C -151.00  -83.00 -117.61 -140.88  -82.88 0.12 19  0 "[    .    1    .    2]" 
        58 . 1  45 THR N 1  45 THR CA 1  45 THR C  1  46 VAL N  109.00  149.00  113.74  112.77  111.53 1.48  3  0 "[    .    1    .    2]" 
        59 . 1  45 THR C 1  46 VAL N  1  46 VAL CA 1  46 VAL C -152.00  -40.00  -89.59  -84.28  -86.73    .  .  0 "[    .    1    .    2]" 
        60 . 1  46 VAL N 1  46 VAL CA 1  46 VAL C  1  47 TYR N   94.00  166.00  114.17  129.48  124.58    .  .  0 "[    .    1    .    2]" 
        61 . 1  47 TYR C 1  48 ASP N  1  48 ASP CA 1  48 ASP C -173.00 -137.00 -146.26 -148.63 -148.90 3.21 11  0 "[    .    1    .    2]" 
        62 . 1  48 ASP N 1  48 ASP CA 1  48 ASP C  1  49 PHE N  123.00  163.00  146.68  121.34  162.17 1.66 20  0 "[    .    1    .    2]" 
        63 . 1  48 ASP C 1  49 PHE N  1  49 PHE CA 1  49 PHE C  173.00  -71.00 -152.96 -163.97 -113.15    .  .  0 "[    .    1    .    2]" 
        64 . 1  49 PHE N 1  49 PHE CA 1  49 PHE C  1  50 ASN N  102.00  150.00  124.80  109.92  135.90    .  .  0 "[    .    1    .    2]" 
        65 . 1  49 PHE C 1  50 ASN N  1  50 ASN CA 1  50 ASN C -153.00  -57.00 -146.20 -154.11 -154.32 1.65 18  0 "[    .    1    .    2]" 
        66 . 1  50 ASN N 1  50 ASN CA 1  50 ASN C  1  51 ALA N  105.00  145.00  108.77  102.54  129.72 2.46  4  0 "[    .    1    .    2]" 
        67 . 1  55 GLY C 1  56 SER N  1  56 SER CA 1  56 SER C -166.00  -98.00 -158.99 -163.01 -163.58 0.40  9  0 "[    .    1    .    2]" 
        68 . 1  56 SER N 1  56 SER CA 1  56 SER C  1  57 ALA N  123.00  175.00  151.49  160.25  158.34    .  .  0 "[    .    1    .    2]" 
        69 . 1  56 SER C 1  57 ALA N  1  57 ALA CA 1  57 ALA C -166.00 -110.00 -138.77 -152.38 -113.12    .  .  0 "[    .    1    .    2]" 
        70 . 1  57 ALA N 1  57 ALA CA 1  57 ALA C  1  58 PHE N  107.00 -173.00  119.79  105.40  153.61 1.60  7  0 "[    .    1    .    2]" 
        71 . 1  57 ALA C 1  58 PHE N  1  58 PHE CA 1  58 PHE C -156.00  -92.00 -101.14  -92.49  -95.59 2.69 15  0 "[    .    1    .    2]" 
        72 . 1  58 PHE N 1  58 PHE CA 1  58 PHE C  1  59 TYR N  106.00  154.00  121.36  121.03  119.00    .  .  0 "[    .    1    .    2]" 
        73 . 1  58 PHE C 1  59 TYR N  1  59 TYR CA 1  59 TYR C -153.00 -113.00 -140.31 -151.72 -128.73    .  .  0 "[    .    1    .    2]" 
        74 . 1  59 TYR N 1  59 TYR CA 1  59 TYR C  1  60 ALA N  124.00 -168.00  174.21  165.51 -176.85    .  .  0 "[    .    1    .    2]" 
        75 . 1  59 TYR C 1  60 ALA N  1  60 ALA CA 1  60 ALA C -158.00 -106.00 -147.46 -136.07 -139.70    .  .  0 "[    .    1    .    2]" 
        76 . 1  60 ALA N 1  60 ALA CA 1  60 ALA C  1  61 ILE N  120.00  176.00  132.36  124.77  141.11    .  .  0 "[    .    1    .    2]" 
        77 . 1  60 ALA C 1  61 ILE N  1  61 ILE CA 1  61 ILE C -123.00  -79.00  -78.74  -78.50  -81.95 3.87 14  0 "[    .    1    .    2]" 
        78 . 1  61 ILE N 1  61 ILE CA 1  61 ILE C  1  62 GLN N   95.00  155.00  105.79   98.23  112.68    .  .  0 "[    .    1    .    2]" 
        79 . 1  61 ILE C 1  62 GLN N  1  62 GLN CA 1  62 GLN C -152.00  -76.00  -83.92  -79.87  -82.16    .  .  0 "[    .    1    .    2]" 
        80 . 1  62 GLN N 1  62 GLN CA 1  62 GLN C  1  63 ALA N  101.00  137.00   98.68   99.59   99.37 5.26 14  2 "[    .    1   +.  - 2]" 
        81 . 1  65 GLN C 1  66 MET N  1  66 MET CA 1  66 MET C  164.00  -64.00 -144.74 -126.89 -149.07    .  .  0 "[    .    1    .    2]" 
        82 . 1  66 MET N 1  66 MET CA 1  66 MET C  1  67 ILE N  123.00  163.00  149.83  141.39  140.67 3.16  9  0 "[    .    1    .    2]" 
        83 . 1  66 MET C 1  67 ILE N  1  67 ILE CA 1  67 ILE C -163.00  -95.00 -125.37 -133.23 -115.10    .  .  0 "[    .    1    .    2]" 
        84 . 1  67 ILE N 1  67 ILE CA 1  67 ILE C  1  68 SER N  109.00  157.00  111.10  108.01  107.66 2.51 10  0 "[    .    1    .    2]" 
        85 . 1  67 ILE C 1  68 SER N  1  68 SER CA 1  68 SER C -151.00  -87.00 -106.14  -99.59 -100.81    .  .  0 "[    .    1    .    2]" 
        86 . 1  68 SER N 1  68 SER CA 1  68 SER C  1  69 TYR N  107.00  175.00  138.34  113.53  165.39    .  .  0 "[    .    1    .    2]" 
        87 . 1  68 SER C 1  69 TYR N  1  69 TYR CA 1  69 TYR C -154.00  -86.00 -106.13 -108.40 -117.39    .  .  0 "[    .    1    .    2]" 
        88 . 1  69 TYR N 1  69 TYR CA 1  69 TYR C  1  70 THR N  110.00  146.00  143.49  129.28  148.31 2.31  5  0 "[    .    1    .    2]" 
        89 . 1  69 TYR C 1  70 THR N  1  70 THR CA 1  70 THR C -156.00  -88.00 -150.66 -148.70 -150.71 0.78  9  0 "[    .    1    .    2]" 
        90 . 1  70 THR N 1  70 THR CA 1  70 THR C  1  71 ILE N  121.00  149.00  136.10  133.67  132.10 0.67  4  0 "[    .    1    .    2]" 
        91 . 1  70 THR C 1  71 ILE N  1  71 ILE CA 1  71 ILE C -147.00  -99.00 -116.21 -128.43 -106.71    .  .  0 "[    .    1    .    2]" 
        92 . 1  71 ILE N 1  71 ILE CA 1  71 ILE C  1  72 ALA N  116.00  148.00  126.37  114.62  147.76 1.38 20  0 "[    .    1    .    2]" 
        93 . 1  71 ILE C 1  72 ALA N  1  72 ALA CA 1  72 ALA C -133.00 -101.00 -103.22 -126.38  -97.94 3.06  5  0 "[    .    1    .    2]" 
        94 . 1  72 ALA N 1  72 ALA CA 1  72 ALA C  1  73 GLU N  120.00  144.00  115.77  113.97  118.03 6.03 20  4 "[    .    - * *.    +]" 
        95 . 1  72 ALA C 1  73 GLU N  1  73 GLU CA 1  73 GLU C -171.00  -71.00  -91.43 -102.73  -80.78    .  .  0 "[    .    1    .    2]" 
        96 . 1  73 GLU N 1  73 GLU CA 1  73 GLU C  1  74 TYR N  117.00  169.00  111.07  110.40  109.97 7.86  7 16 "[******+ -***  .*****]" 
        97 . 1  73 GLU C 1  74 TYR N  1  74 TYR CA 1  74 TYR C  -93.00  -65.00  -82.18  -79.80  -80.92    .  .  0 "[    .    1    .    2]" 
        98 . 1  74 TYR N 1  74 TYR CA 1  74 TYR C  1  75 LEU N   92.00  148.00  100.36  119.66  110.05 3.02  7  0 "[    .    1    .    2]" 
        99 . 1  75 LEU C 1  76 GLN N  1  76 GLN CA 1  76 GLN C -174.00 -138.00 -138.07 -151.78 -131.18 6.82  3  1 "[  + .    1    .    2]" 
       100 . 1  76 GLN N 1  76 GLN CA 1  76 GLN C  1  77 VAL N  119.00  171.00  118.60  115.65  114.11 6.64  4  4 "[* -+.    1    .*   2]" 
       101 . 1  76 GLN C 1  77 VAL N  1  77 VAL CA 1  77 VAL C -163.00  -75.00 -122.45 -132.96 -111.20    .  .  0 "[    .    1    .    2]" 
       102 . 1  77 VAL N 1  77 VAL CA 1  77 VAL C  1  78 ASP N  112.00  152.00  113.55  116.56  114.76 5.55 17  1 "[    .    1    . +  2]" 
       103 . 1  77 VAL C 1  78 ASP N  1  78 ASP CA 1  78 ASP C -160.00  -72.00 -137.67 -157.97 -116.19    .  .  0 "[    .    1    .    2]" 
       104 . 1  78 ASP N 1  78 ASP CA 1  78 ASP C  1  79 ALA N   95.00  155.00  108.99   92.56  123.18 2.44 15  0 "[    .    1    .    2]" 
       105 . 1  81 TYR C 1  82 TYR N  1  82 TYR CA 1  82 TYR C -161.00 -109.00 -135.09 -155.94 -109.12    .  .  0 "[    .    1    .    2]" 
       106 . 1  82 TYR N 1  82 TYR CA 1  82 TYR C  1  83 ILE N  111.00  151.00  126.34  111.45  135.98    .  .  0 "[    .    1    .    2]" 
       107 . 1  82 TYR C 1  83 ILE N  1  83 ILE CA 1  83 ILE C -149.00 -121.00 -125.69 -132.91 -120.52 0.48 10  0 "[    .    1    .    2]" 
       108 . 1  83 ILE N 1  83 ILE CA 1  83 ILE C  1  84 GLU N  119.00  147.00  140.60  130.34  146.83    .  .  0 "[    .    1    .    2]" 
       109 . 1  83 ILE C 1  84 GLU N  1  84 GLU CA 1  84 GLU C -141.00  -85.00 -141.12 -142.67 -142.95 3.24  9  0 "[    .    1    .    2]" 
       110 . 1  84 GLU N 1  84 GLU CA 1  84 GLU C  1  85 TYR N  109.00  153.00  126.24  136.33  131.85    .  .  0 "[    .    1    .    2]" 
       111 . 1  84 GLU C 1  85 TYR N  1  85 TYR CA 1  85 TYR C -167.00  -99.00 -146.75 -154.01 -141.32    .  .  0 "[    .    1    .    2]" 
       112 . 1  85 TYR N 1  85 TYR CA 1  85 TYR C  1  86 LEU N  129.00 -171.00  163.62  175.48  172.61    .  .  0 "[    .    1    .    2]" 
       113 . 1  85 TYR C 1  86 LEU N  1  86 LEU CA 1  86 LEU C -167.00  -91.00 -112.01 -120.57 -121.31 1.62 16  0 "[    .    1    .    2]" 
       114 . 1  86 LEU N 1  86 LEU CA 1  86 LEU C  1  87 ASP N  125.00  169.00  125.38  122.52  122.13 3.95 18  0 "[    .    1    .    2]" 
       115 . 1  86 LEU C 1  87 ASP N  1  87 ASP CA 1  87 ASP C -161.00  -93.00  -94.61  -90.35  -90.62 3.44  3  0 "[    .    1    .    2]" 
       116 . 1  87 ASP N 1  87 ASP CA 1  87 ASP C  1  88 TYR N  108.00  160.00  106.53  115.09  110.69 7.38 17  3 "[    .    1   -.*+  2]" 
       117 . 1  87 ASP C 1  88 TYR N  1  88 TYR CA 1  88 TYR C -142.00  -62.00 -102.06 -115.51  -85.32    .  .  0 "[    .    1    .    2]" 
       118 . 1  88 TYR N 1  88 TYR CA 1  88 TYR C  1  89 PHE N  120.00  156.00  122.93  117.02  152.88 2.98 14  0 "[    .    1    .    2]" 
       119 . 1  88 TYR C 1  89 PHE N  1  89 PHE CA 1  89 PHE C -116.00  -56.00  -64.92  -97.80  -56.69    .  .  0 "[    .    1    .    2]" 
       120 . 1  89 PHE N 1  89 PHE CA 1  89 PHE C  1  90 ALA N  108.00  164.00  127.40  120.34  116.16    .  .  0 "[    .    1    .    2]" 
       121 . 1  89 PHE C 1  90 ALA N  1  90 ALA CA 1  90 ALA C -170.00  -94.00  -96.90  -92.20  -92.86 3.95 15  0 "[    .    1    .    2]" 
       122 . 1  90 ALA N 1  90 ALA CA 1  90 ALA C  1  91 THR N  142.00  178.00  151.79  140.38 -179.99 2.01  3  0 "[    .    1    .    2]" 
       123 . 1 103 MET C 1 104 HIS N  1 104 HIS CA 1 104 HIS C -155.00  -51.00  -93.36 -104.61 -118.99    .  .  0 "[    .    1    .    2]" 
       124 . 1 104 HIS N 1 104 HIS CA 1 104 HIS C  1 105 ILE N  101.00  153.00  105.50   99.56  123.86 1.44  8  0 "[    .    1    .    2]" 
       125 . 1 104 HIS C 1 105 ILE N  1 105 ILE CA 1 105 ILE C -167.00  -71.00 -103.84 -116.68 -124.27    .  .  0 "[    .    1    .    2]" 
       126 . 1 105 ILE N 1 105 ILE CA 1 105 ILE C  1 106 THR N   76.00 -176.00  129.75  135.92  135.33    .  .  0 "[    .    1    .    2]" 
       127 . 1 105 ILE C 1 106 THR N  1 106 THR CA 1 106 THR C -159.00  -99.00 -125.31 -134.82 -111.72    .  .  0 "[    .    1    .    2]" 
       128 . 1 106 THR N 1 106 THR CA 1 106 THR C  1 107 LEU N  118.00  162.00  115.97  113.57  119.59 4.43 15  0 "[    .    1    .    2]" 
       129 . 1 106 THR C 1 107 LEU N  1 107 LEU CA 1 107 LEU C -160.00 -104.00 -102.29 -105.90  -99.03 4.97  4  0 "[    .    1    .    2]" 
       130 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C  1 108 ASN N  115.00 -177.00  124.48  125.48  116.64 3.59  9  0 "[    .    1    .    2]" 
       131 . 1 107 LEU C 1 108 ASN N  1 108 ASN CA 1 108 ASN C -163.00 -103.00 -125.11 -147.38 -102.15 0.85  4  0 "[    .    1    .    2]" 
       132 . 1 108 ASN N 1 108 ASN CA 1 108 ASN C  1 109 PHE N  113.00  157.00  144.67  143.55  138.91 3.68 17  0 "[    .    1    .    2]" 
       133 . 1 108 ASN C 1 109 PHE N  1 109 PHE CA 1 109 PHE C -159.00  -59.00  -69.64  -85.41  -58.02 0.98  4  0 "[    .    1    .    2]" 
       134 . 1 109 PHE N 1 109 PHE CA 1 109 PHE C  1 110 GLU N  105.00  173.00  138.69  104.96  159.03 0.04 18  0 "[    .    1    .    2]" 
       135 . 1 114 GLY C 1 115 LYS N  1 115 LYS CA 1 115 LYS C -124.00  -68.00  -89.99 -119.33  -68.16    .  .  0 "[    .    1    .    2]" 
       136 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C  1 116 THR N  108.00  148.00  133.03  104.82  150.21 3.18 16  0 "[    .    1    .    2]" 
       137 . 1 115 LYS C 1 116 THR N  1 116 THR CA 1 116 THR C -150.00  -62.00  -71.77  -71.33  -77.67 1.17 18  0 "[    .    1    .    2]" 
       138 . 1 116 THR N 1 116 THR CA 1 116 THR C  1 117 THR N  102.00  146.00  136.10  115.14  148.77 2.77  1  0 "[    .    1    .    2]" 
       139 . 1 116 THR C 1 117 THR N  1 117 THR CA 1 117 THR C -147.00  -71.00 -133.51 -138.81 -141.61 0.14 19  0 "[    .    1    .    2]" 
       140 . 1 117 THR N 1 117 THR CA 1 117 THR C  1 118 VAL N  102.00  142.00  110.13  103.08  101.25 2.60 18  0 "[    .    1    .    2]" 
       141 . 1 117 THR C 1 118 VAL N  1 118 VAL CA 1 118 VAL C -151.00  -83.00 -116.51 -137.03  -99.96    .  .  0 "[    .    1    .    2]" 
       142 . 1 118 VAL N 1 118 VAL CA 1 118 VAL C  1 119 THR N  106.00  138.00  115.23  110.01  109.41 0.86  8  0 "[    .    1    .    2]" 
       143 . 1 118 VAL C 1 119 THR N  1 119 THR CA 1 119 THR C -134.00  -82.00  -87.36  -82.27  -84.51 1.99  6  0 "[    .    1    .    2]" 
       144 . 1 119 THR N 1 119 THR CA 1 119 THR C  1 120 SER N  105.00  141.00  112.05  104.35  121.07 0.65 16  0 "[    .    1    .    2]" 
       145 . 1 119 THR C 1 120 SER N  1 120 SER CA 1 120 SER C -168.00  -68.00  -85.49  -92.50  -74.08    .  .  0 "[    .    1    .    2]" 
       146 . 1 120 SER N 1 120 SER CA 1 120 SER C  1 121 THR N  112.00  132.00  113.92  106.70  135.90 5.30 13  1 "[    .    1  + .    2]" 
       147 . 1 120 SER C 1 121 THR N  1 121 THR CA 1 121 THR C -132.00  -68.00  -93.49 -125.66  -78.80    .  .  0 "[    .    1    .    2]" 
       148 . 1 121 THR N 1 121 THR CA 1 121 THR C  1 122 SER N  100.00  136.00  102.67   96.32  127.85 3.68  7  0 "[    .    1    .    2]" 
       149 . 1 121 THR C 1 122 SER N  1 122 SER CA 1 122 SER C -150.00  -62.00 -107.22 -110.67 -115.65    .  .  0 "[    .    1    .    2]" 
       150 . 1 122 SER N 1 122 SER CA 1 122 SER C  1 123 THR N  106.00  146.00  113.46  121.24  109.32 3.77 10  0 "[    .    1    .    2]" 
       151 . 1 122 SER C 1 123 THR N  1 123 THR CA 1 123 THR C -124.00  -80.00  -96.03 -125.59  -81.53 1.59 12  0 "[    .    1    .    2]" 
       152 . 1 123 THR N 1 123 THR CA 1 123 THR C  1 124 PHE N  102.00  142.00  104.43   99.60  117.94 2.40 18  0 "[    .    1    .    2]" 
       153 . 1 128 SER C 1 129 ALA N  1 129 ALA CA 1 129 ALA C  -77.00  -53.00  -60.05  -58.88  -60.51    .  .  0 "[    .    1    .    2]" 
       154 . 1 129 ALA N 1 129 ALA CA 1 129 ALA C  1 130 ALA N  -62.00  -22.00  -37.40  -44.51  -47.87    .  .  0 "[    .    1    .    2]" 
       155 . 1 129 ALA C 1 130 ALA N  1 130 ALA CA 1 130 ALA C  -82.00  -46.00  -70.27  -83.14  -63.63 1.14 19  0 "[    .    1    .    2]" 
       156 . 1 130 ALA N 1 130 ALA CA 1 130 ALA C  1 131 GLN N  -56.00  -28.00  -42.36  -39.65  -42.72 0.79 17  0 "[    .    1    .    2]" 
       157 . 1 130 ALA C 1 131 GLN N  1 131 GLN CA 1 131 GLN C  -84.00  -48.00  -58.19  -62.81  -52.01    .  .  0 "[    .    1    .    2]" 
       158 . 1 131 GLN N 1 131 GLN CA 1 131 GLN C  1 132 GLN N  -53.00  -21.00  -47.13  -52.99  -40.34    .  .  0 "[    .    1    .    2]" 
       159 . 1 131 GLN C 1 132 GLN N  1 132 GLN CA 1 132 GLN C  -74.00  -54.00  -59.26  -64.20  -54.00 0.00 11  0 "[    .    1    .    2]" 
       160 . 1 132 GLN N 1 132 GLN CA 1 132 GLN C  1 133 ALA N  -50.00  -26.00  -33.05  -30.00  -31.34 0.57 13  0 "[    .    1    .    2]" 
       161 . 1 132 GLN C 1 133 ALA N  1 133 ALA CA 1 133 ALA C  -69.00  -49.00  -67.17  -69.99  -60.21 0.99  7  0 "[    .    1    .    2]" 
       162 . 1 133 ALA N 1 133 ALA CA 1 133 ALA C  1 134 ILE N  -58.00  -30.00  -36.03  -40.75  -29.38 0.62 14  0 "[    .    1    .    2]" 
       163 . 1 133 ALA C 1 134 ILE N  1 134 ILE CA 1 134 ILE C  -75.00  -55.00  -65.03  -65.52  -66.30    .  .  0 "[    .    1    .    2]" 
       164 . 1 134 ILE N 1 134 ILE CA 1 134 ILE C  1 135 ASP N  -50.00  -30.00  -43.39  -43.14  -44.09 0.07  7  0 "[    .    1    .    2]" 
       165 . 1 134 ILE C 1 135 ASP N  1 135 ASP CA 1 135 ASP C  -79.00  -55.00  -65.41  -72.86  -60.48    .  .  0 "[    .    1    .    2]" 
       166 . 1 135 ASP N 1 135 ASP CA 1 135 ASP C  1 136 MET N  -45.00   -1.00  -28.81  -22.11  -24.37    .  .  0 "[    .    1    .    2]" 
       167 . 1 135 ASP C 1 136 MET N  1 136 MET CA 1 136 MET C -101.00  -69.00  -74.59  -77.17  -78.80 0.64  9  0 "[    .    1    .    2]" 
       168 . 1 136 MET N 1 136 MET CA 1 136 MET C  1 137 GLY N  -29.00   19.00  -25.64  -30.95  -14.64 1.95 16  0 "[    .    1    .    2]" 
       169 . 1 137 GLY C 1 138 VAL N  1 138 VAL CA 1 138 VAL C -107.00  -39.00  -68.22  -78.76  -55.56    .  .  0 "[    .    1    .    2]" 
       170 . 1 138 VAL N 1 138 VAL CA 1 138 VAL C  1 139 GLU N  -63.00   -7.00  -23.45  -18.21  -19.84    .  .  0 "[    .    1    .    2]" 
       171 . 1 138 VAL C 1 139 GLU N  1 139 GLU CA 1 139 GLU C  -69.00  -49.00  -58.67  -64.67  -52.14    .  .  0 "[    .    1    .    2]" 
       172 . 1 139 GLU N 1 139 GLU CA 1 139 GLU C  1 140 THR N  -52.00  -32.00  -49.44  -45.72  -46.83 2.66  4  0 "[    .    1    .    2]" 
       173 . 1 139 GLU C 1 140 THR N  1 140 THR CA 1 140 THR C  -80.00  -52.00  -68.22  -69.79  -72.04 0.41  9  0 "[    .    1    .    2]" 
       174 . 1 140 THR N 1 140 THR CA 1 140 THR C  1 141 GLY N  -50.00  -30.00  -37.07  -46.66  -28.30 1.70  5  0 "[    .    1    .    2]" 
       175 . 1 140 THR C 1 141 GLY N  1 141 GLY CA 1 141 GLY C  -82.00  -54.00  -64.80  -62.22  -63.56    .  .  0 "[    .    1    .    2]" 
       176 . 1 141 GLY N 1 141 GLY CA 1 141 GLY C  1 142 MET N  -50.00  -26.00  -46.00  -51.69  -36.01 1.69 20  0 "[    .    1    .    2]" 
       177 . 1 141 GLY C 1 142 MET N  1 142 MET CA 1 142 MET C  -75.00  -51.00  -65.92  -62.69  -64.35    .  .  0 "[    .    1    .    2]" 
       178 . 1 142 MET N 1 142 MET CA 1 142 MET C  1 143 ASN N  -53.00  -33.00  -40.38  -53.17  -30.67 2.33  6  0 "[    .    1    .    2]" 
       179 . 1 142 MET C 1 143 ASN N  1 143 ASN CA 1 143 ASN C  -72.00  -52.00  -60.82  -57.86  -59.42    .  .  0 "[    .    1    .    2]" 
       180 . 1 143 ASN N 1 143 ASN CA 1 143 ASN C  1 144 SER N  -52.00  -32.00  -41.14  -53.44  -30.07 1.93  1  0 "[    .    1    .    2]" 
       181 . 1 143 ASN C 1 144 SER N  1 144 SER CA 1 144 SER C  -78.00  -54.00  -65.13  -66.95  -69.28 1.03 17  0 "[    .    1    .    2]" 
       182 . 1 144 SER N 1 144 SER CA 1 144 SER C  1 145 THR N  -55.00  -15.00  -40.77  -50.45  -31.92    .  .  0 "[    .    1    .    2]" 
       183 . 1 144 SER C 1 145 THR N  1 145 THR CA 1 145 THR C  -85.00  -53.00  -67.82  -71.59  -73.05    .  .  0 "[    .    1    .    2]" 
       184 . 1 145 THR N 1 145 THR CA 1 145 THR C  1 146 LEU N  -55.00  -27.00  -35.93  -34.61  -36.50    .  .  0 "[    .    1    .    2]" 
       185 . 1 145 THR C 1 146 LEU N  1 146 LEU CA 1 146 LEU C  -76.00  -52.00  -76.45  -78.28  -73.51 2.28  6  0 "[    .    1    .    2]" 
       186 . 1 146 LEU N 1 146 LEU CA 1 146 LEU C  1 147 ASN N  -50.00  -26.00  -22.23  -21.23  -21.62 6.04  7  2 "[    . +  1    .   -2]" 
       187 . 1 146 LEU C 1 147 ASN N  1 147 ASN CA 1 147 ASN C  -79.00  -55.00  -66.89  -73.60  -55.56    .  .  0 "[    .    1    .    2]" 
       188 . 1 147 ASN N 1 147 ASN CA 1 147 ASN C  1 148 GLN N  -53.00  -25.00  -33.24  -40.07  -44.56 0.77  4  0 "[    .    1    .    2]" 
       189 . 1 147 ASN C 1 148 GLN N  1 148 GLN CA 1 148 GLN C  -74.00  -54.00  -68.28  -65.60  -65.96 2.18  3  0 "[    .    1    .    2]" 
       190 . 1 148 GLN N 1 148 GLN CA 1 148 GLN C  1 149 LEU N  -50.00  -30.00  -34.79  -43.99  -28.50 1.50  1  0 "[    .    1    .    2]" 
       191 . 1 148 GLN C 1 149 LEU N  1 149 LEU CA 1 149 LEU C  -76.00  -52.00  -67.06  -68.77  -70.85    .  .  0 "[    .    1    .    2]" 
       192 . 1 149 LEU N 1 149 LEU CA 1 149 LEU C  1 150 GLU N  -53.00  -33.00  -39.63  -47.41  -50.99 0.90  4  0 "[    .    1    .    2]" 
       193 . 1 149 LEU C 1 150 GLU N  1 150 GLU CA 1 150 GLU C  -77.00  -49.00  -61.39  -69.61  -48.53 0.47  3  0 "[    .    1    .    2]" 
       194 . 1 150 GLU N 1 150 GLU CA 1 150 GLU C  1 151 LYS N  -55.00  -31.00  -47.49  -55.98  -36.47 0.98 20  0 "[    .    1    .    2]" 
       195 . 1 150 GLU C 1 151 LYS N  1 151 LYS CA 1 151 LYS C  -72.00  -52.00  -63.63  -52.45  -56.49    .  .  0 "[    .    1    .    2]" 
       196 . 1 151 LYS N 1 151 LYS CA 1 151 LYS C  1 152 LEU N  -53.00  -25.00  -35.89  -48.51  -24.97 0.03 20  0 "[    .    1    .    2]" 
       197 . 1 151 LYS C 1 152 LEU N  1 152 LEU CA 1 152 LEU C  -73.00  -53.00  -60.34  -56.34  -57.88    .  .  0 "[    .    1    .    2]" 
       198 . 1 152 LEU N 1 152 LEU CA 1 152 LEU C  1 153 LEU N  -57.00  -33.00  -53.52  -58.34  -49.50 1.34 16  0 "[    .    1    .    2]" 
       199 . 1 152 LEU C 1 153 LEU N  1 153 LEU CA 1 153 LEU C  -83.00  -55.00  -73.76  -80.67  -69.46    .  .  0 "[    .    1    .    2]" 
       200 . 1 153 LEU N 1 153 LEU CA 1 153 LEU C  1 154 ASN N  -51.00    1.00  -28.40  -15.82  -18.45    .  .  0 "[    .    1    .    2]" 
       201 . 1 153 LEU C 1 154 ASN N  1 154 ASN CA 1 154 ASN C  -80.00  -48.00  -78.77  -75.48  -78.79 3.32 20  0 "[    .    1    .    2]" 
       202 . 1 154 ASN N 1 154 ASN CA 1 154 ASN C  1 155 GLN N  -70.00    6.00  -24.12  -48.61   -1.91    .  .  0 "[    .    1    .    2]" 
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