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
493481 2l3s cing 4-filtered-FRED Wattos check violation dihedral angle


data_2l3s


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              121
    _TA_constraint_stats_list.Viol_count                    488
    _TA_constraint_stats_list.Viol_total                    23470.04
    _TA_constraint_stats_list.Viol_max                      26.60
    _TA_constraint_stats_list.Viol_rms                      1.43
    _TA_constraint_stats_list.Viol_average_all_restraints   0.48
    _TA_constraint_stats_list.Viol_average_violations_only  2.40
    _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   4 VAL N 1   4 VAL CA 1   4 VAL C  1   5 ARG N  134.70  174.70  166.08  172.17  168.80  5.71 19 1 "[    .    1    .   +2]" 
         2 . 1   4 VAL C 1   5 ARG N  1   5 ARG CA 1   5 ARG C -151.80 -111.80 -130.17 -144.49 -115.49     .  . 0 "[    .    1    .    2]" 
         3 . 1   5 ARG N 1   5 ARG CA 1   5 ARG C  1   6 ALA N  122.10  162.10  136.84  136.37  133.21  1.72 14 0 "[    .    1    .    2]" 
         4 . 1   6 ALA C 1   7 LEU N  1   7 LEU CA 1   7 LEU C -136.50  -96.50 -110.53 -143.08  -95.19  6.58  7 1 "[    . +  1    .    2]" 
         5 . 1   7 LEU C 1   8 PHE N  1   8 PHE CA 1   8 PHE C -157.60 -117.60 -125.74 -115.93 -119.45  4.27  7 0 "[    .    1    .    2]" 
         6 . 1   8 PHE N 1   8 PHE CA 1   8 PHE C  1   9 ASP N  -30.20    9.80    2.89    6.60    5.01     .  . 0 "[    .    1    .    2]" 
         7 . 1   8 PHE C 1   9 ASP N  1   9 ASP CA 1   9 ASP C   35.00   75.00   61.86   67.11   60.96  4.41 11 0 "[    .    1    .    2]" 
         8 . 1   9 ASP N 1   9 ASP CA 1   9 ASP C  1  10 PHE N  139.70  179.70  139.09  136.08  149.12  3.62  2 0 "[    .    1    .    2]" 
         9 . 1  10 PHE N 1  10 PHE CA 1  10 PHE C  1  11 ASN N  -68.50  -28.50  -45.42  -54.06  -34.92     .  . 0 "[    .    1    .    2]" 
        10 . 1  10 PHE C 1  11 ASN N  1  11 ASN CA 1  11 ASN C   30.10   70.10   42.30   46.59   42.83  4.76 10 0 "[    .    1    .    2]" 
        11 . 1  11 ASN C 1  12 GLY N  1  12 GLY CA 1  12 GLY C -106.90  -66.90  -69.03  -65.94  -66.02 26.60 10 2 "[    .    +   -.    2]" 
        12 . 1  12 GLY C 1  13 ASN N  1  13 ASN CA 1  13 ASN C  138.50  178.50  168.57  172.86  171.22     .  . 0 "[    .    1    .    2]" 
        13 . 1  18 LEU C 1  19 PRO N  1  19 PRO CA 1  19 PRO C  -95.00  -55.00  -66.57  -75.16  -57.48     .  . 0 "[    .    1    .    2]" 
        14 . 1  20 PHE N 1  20 PHE CA 1  20 PHE C  1  21 LYS N  155.10 -164.90  165.25  156.89 -177.59     .  . 0 "[    .    1    .    2]" 
        15 . 1  23 GLY N 1  23 GLY CA 1  23 GLY C  1  24 ASP N   15.20   55.20   43.09   12.39   57.29  2.81 13 0 "[    .    1    .    2]" 
        16 . 1  24 ASP N 1  24 ASP CA 1  24 ASP C  1  25 ILE N  135.10  175.10  146.43  150.52  144.87  2.44 16 0 "[    .    1    .    2]" 
        17 . 1  24 ASP C 1  25 ILE N  1  25 ILE CA 1  25 ILE C -125.40  -85.40  -99.22 -125.58  -84.86  0.54  7 0 "[    .    1    .    2]" 
        18 . 1  27 LYS N 1  27 LYS CA 1  27 LYS C  1  28 ILE N  123.10  163.10  138.48  124.91  150.60     .  . 0 "[    .    1    .    2]" 
        19 . 1  27 LYS C 1  28 ILE N  1  28 ILE CA 1  28 ILE C -107.20  -67.20  -76.21  -83.48  -83.91  3.05 10 0 "[    .    1    .    2]" 
        20 . 1  29 ARG N 1  29 ARG CA 1  29 ARG C  1  30 ASP N  -68.80  -28.80  -46.85  -57.41  -33.65     .  . 0 "[    .    1    .    2]" 
        21 . 1  29 ARG C 1  30 ASP N  1  30 ASP CA 1  30 ASP C -153.00 -113.00 -143.38 -140.95 -146.08  4.27 11 0 "[    .    1    .    2]" 
        22 . 1  31 LYS N 1  31 LYS CA 1  31 LYS C  1  32 PRO N   64.30  104.30   77.08   60.19  106.48  4.11  7 0 "[    .    1    .    2]" 
        23 . 1  32 PRO N 1  32 PRO CA 1  32 PRO C  1  33 GLU N  -65.80  -25.80  -42.88  -31.20  -35.74  0.73 15 0 "[    .    1    .    2]" 
        24 . 1  32 PRO C 1  33 GLU N  1  33 GLU CA 1  33 GLU C -119.80  -79.80 -110.36 -119.98  -91.93  0.18  6 0 "[    .    1    .    2]" 
        25 . 1  34 GLU C 1  35 GLN N  1  35 GLN CA 1  35 GLN C -109.50  -69.50  -82.16 -109.47  -72.44     .  . 0 "[    .    1    .    2]" 
        26 . 1  35 GLN N 1  35 GLN CA 1  35 GLN C  1  36 TRP N  -53.10  -13.10  -26.15  -22.39  -23.46     .  . 0 "[    .    1    .    2]" 
        27 . 1  35 GLN C 1  36 TRP N  1  36 TRP CA 1  36 TRP C -130.70  -90.70 -123.28 -131.49 -117.27  0.79  3 0 "[    .    1    .    2]" 
        28 . 1  36 TRP N 1  36 TRP CA 1  36 TRP C  1  37 TRP N  112.10  152.10  151.76  153.87  153.75  2.53  3 0 "[    .    1    .    2]" 
        29 . 1  37 TRP N 1  37 TRP CA 1  37 TRP C  1  38 ASN N  124.30  164.30  134.50  138.16  136.70     .  . 0 "[    .    1    .    2]" 
        30 . 1  37 TRP C 1  38 ASN N  1  38 ASN CA 1  38 ASN C -108.50  -68.50  -83.43  -91.55  -76.09     .  . 0 "[    .    1    .    2]" 
        31 . 1  38 ASN C 1  39 ALA N  1  39 ALA CA 1  39 ALA C -125.10  -85.10 -115.57 -128.84  -97.41  3.74  3 0 "[    .    1    .    2]" 
        32 . 1  39 ALA N 1  39 ALA CA 1  39 ALA C  1  40 GLU N  140.30 -179.70  174.08  170.71  168.32  1.56 17 0 "[    .    1    .    2]" 
        33 . 1  39 ALA C 1  40 GLU N  1  40 GLU CA 1  40 GLU C -128.70  -88.70 -125.12 -126.38 -126.63  1.59 11 0 "[    .    1    .    2]" 
        34 . 1  40 GLU N 1  40 GLU CA 1  40 GLU C  1  41 ASP N  112.50  152.50  132.10  111.28  145.95  1.22  3 0 "[    .    1    .    2]" 
        35 . 1  40 GLU C 1  41 ASP N  1  41 ASP CA 1  41 ASP C  -94.10  -54.10  -64.68  -85.10  -55.99     .  . 0 "[    .    1    .    2]" 
        36 . 1  41 ASP N 1  41 ASP CA 1  41 ASP C  1  42 MET N  143.50 -176.50  169.04  135.36 -175.28  8.14 15 1 "[    .    1    +    2]" 
        37 . 1  41 ASP C 1  42 MET N  1  42 MET CA 1  42 MET C  -73.90  -33.90  -73.48  -79.06  -79.88  6.64 10 6 "[*  *.   -+ *  . *  2]" 
        38 . 1  42 MET N 1  42 MET CA 1  42 MET C  1  43 ASP N  -38.80    1.20   -3.86   -0.94   -2.25  1.47 14 0 "[    .    1    .    2]" 
        39 . 1  42 MET C 1  43 ASP N  1  43 ASP CA 1  43 ASP C -101.60  -61.60  -98.28 -105.46  -72.98  3.86 16 0 "[    .    1    .    2]" 
        40 . 1  43 ASP N 1  43 ASP CA 1  43 ASP C  1  44 GLY N  -42.30   -2.30  -26.59  -31.48  -20.23     .  . 0 "[    .    1    .    2]" 
        41 . 1  43 ASP C 1  44 GLY N  1  44 GLY CA 1  44 GLY C   77.90  117.90  115.56   94.49  120.68  2.78 13 0 "[    .    1    .    2]" 
        42 . 1  45 LYS N 1  45 LYS CA 1  45 LYS C  1  46 ARG N  102.40  142.40  136.51  134.29  132.56  4.39 13 0 "[    .    1    .    2]" 
        43 . 1  46 ARG N 1  46 ARG CA 1  46 ARG C  1  47 GLY N   92.90  132.90  124.99  113.92  132.54     .  . 0 "[    .    1    .    2]" 
        44 . 1  46 ARG C 1  47 GLY N  1  47 GLY CA 1  47 GLY C -169.80 -129.80 -155.85 -156.07 -157.20     .  . 0 "[    .    1    .    2]" 
        45 . 1  47 GLY N 1  47 GLY CA 1  47 GLY C  1  48 MET N  139.40  179.40  152.70  143.59  160.66     .  . 0 "[    .    1    .    2]" 
        46 . 1  47 GLY C 1  48 MET N  1  48 MET CA 1  48 MET C -107.50  -67.50  -66.91  -65.52  -65.90  5.08 11 1 "[    .    1+   .    2]" 
        47 . 1  48 MET N 1  48 MET CA 1  48 MET C  1  49 ILE N  121.20  161.20  157.67  149.58  163.61  2.41  6 0 "[    .    1    .    2]" 
        48 . 1  48 MET C 1  49 ILE N  1  49 ILE CA 1  49 ILE C -162.90 -122.90 -148.90 -142.05 -143.40     .  . 0 "[    .    1    .    2]" 
        49 . 1  49 ILE N 1  49 ILE CA 1  49 ILE C  1  50 PRO N  143.20 -176.80  144.64  145.31  144.32  1.65  3 0 "[    .    1    .    2]" 
        50 . 1  49 ILE C 1  50 PRO N  1  50 PRO CA 1  50 PRO C  -95.00  -55.00  -72.00  -76.04  -65.46     .  . 0 "[    .    1    .    2]" 
        51 . 1  50 PRO N 1  50 PRO CA 1  50 PRO C  1  51 VAL N  116.60  156.60  116.29  110.01  140.46  6.59 19 2 "[   -.    1    .   +2]" 
        52 . 1  51 VAL N 1  51 VAL CA 1  51 VAL C  1  52 PRO N  -50.70  -10.70  -51.20  -52.18  -52.69  2.95  9 0 "[    .    1    .    2]" 
        53 . 1  52 PRO N 1  52 PRO CA 1  52 PRO C  1  53 TYR N  -41.20   -1.20  -27.77  -34.66  -21.00     .  . 0 "[    .    1    .    2]" 
        54 . 1  53 TYR N 1  53 TYR CA 1  53 TYR C  1  54 VAL N  -11.70   28.30    0.30  -10.62   10.63     .  . 0 "[    .    1    .    2]" 
        55 . 1  53 TYR C 1  54 VAL N  1  54 VAL CA 1  54 VAL C -168.60 -128.60 -132.07 -133.64 -134.86  0.50 17 0 "[    .    1    .    2]" 
        56 . 1  54 VAL N 1  54 VAL CA 1  54 VAL C  1  55 GLU N  156.00 -164.00  165.12  162.79  162.28     .  . 0 "[    .    1    .    2]" 
        57 . 1  87 PRO C 1  88 TYR N  1  88 TYR CA 1  88 TYR C -180.00  -60.00  -88.35 -172.10  -57.30  2.70 16 0 "[    .    1    .    2]" 
        58 . 1  88 TYR N 1  88 TYR CA 1  88 TYR C  1  89 ALA N  101.00  169.00  162.04  137.61  173.19  4.19  9 0 "[    .    1    .    2]" 
        59 . 1  88 TYR C 1  89 ALA N  1  89 ALA CA 1  89 ALA C -134.00  -42.00  -44.84  -60.48  -38.63  3.37  9 0 "[    .    1    .    2]" 
        60 . 1  89 ALA N 1  89 ALA CA 1  89 ALA C  1  90 GLN N   95.00  159.00   99.14   97.12   95.18  5.35 16 1 "[    .    1    .+   2]" 
        61 . 1  89 ALA C 1  90 GLN N  1  90 GLN CA 1  90 GLN C -143.00  -51.00 -134.21 -148.39  -96.07  5.39 16 1 "[    .    1    .+   2]" 
        62 . 1  90 GLN N 1  90 GLN CA 1  90 GLN C  1  91 PRO N   88.00 -160.00  135.52   97.44   95.96     .  . 0 "[    .    1    .    2]" 
        63 . 1  90 GLN C 1  91 PRO N  1  91 PRO CA 1  91 PRO C  -74.00  -50.00  -57.00  -71.93  -47.79  2.21 10 0 "[    .    1    .    2]" 
        64 . 1  94 ASN C 1  95 THR N  1  95 THR CA 1  95 THR C -132.00  -60.00  -83.36 -129.49  -51.95  8.05  5 1 "[    +    1    .    2]" 
        65 . 1  95 THR N 1  95 THR CA 1  95 THR C  1  96 PRO N   92.00 -172.00  148.32  161.49  159.76  8.42 20 1 "[    .    1    .    +]" 
        66 . 1  95 THR C 1  96 PRO N  1  96 PRO CA 1  96 PRO C -100.00  -40.00  -61.15  -85.34  -35.47  4.53  1 0 "[    .    1    .    2]" 
        67 . 1  96 PRO C 1  97 LEU N  1  97 LEU CA 1  97 LEU C -131.00  -51.00 -106.63 -134.63  -48.47  3.63 20 0 "[    .    1    .    2]" 
        68 . 1  97 LEU N 1  97 LEU CA 1  97 LEU C  1  98 PRO N   95.00  167.00  129.07  126.94  105.32  3.54 14 0 "[    .    1    .    2]" 
        69 . 1  97 LEU C 1  98 PRO N  1  98 PRO CA 1  98 PRO C  -82.00  -42.00  -65.79  -85.03  -47.52  3.03 19 0 "[    .    1    .    2]" 
        70 . 1 103 GLY C 1 104 PRO N  1 104 PRO CA 1 104 PRO C -175.00  -39.00  -54.23  -75.88  -44.43     .  . 0 "[    .    1    .    2]" 
        71 . 1 104 PRO C 1 105 PHE N  1 105 PHE CA 1 105 PHE C -165.00  -77.00 -133.40 -159.74 -114.55     .  . 0 "[    .    1    .    2]" 
        72 . 1 105 PHE C 1 106 TYR N  1 106 TYR CA 1 106 TYR C -139.00  -87.00 -141.53 -146.19 -134.86  7.19 20 4 "[    . -  1  * .   *+]" 
        73 . 1 106 TYR N 1 106 TYR CA 1 106 TYR C  1 107 ALA N  113.00  165.00  123.64  118.97  116.14     .  . 0 "[    .    1    .    2]" 
        74 . 1 107 ALA C 1 108 ARG N  1 108 ARG CA 1 108 ARG C -156.00  -80.00 -135.40 -162.41 -100.17  6.41  8 3 "[    .  + 1 -* .    2]" 
        75 . 1 108 ARG C 1 109 VAL N  1 109 VAL CA 1 109 VAL C  -95.00  -51.00  -68.78  -82.58  -57.94     .  . 0 "[    .    1    .    2]" 
        76 . 1 110 ILE C 1 111 GLN N  1 111 GLN CA 1 111 GLN C  178.00  -74.00 -177.35  178.06  177.99  4.54 15 0 "[    .    1    .    2]" 
        77 . 1 111 GLN N 1 111 GLN CA 1 111 GLN C  1 112 LYS N  102.00 -178.00  113.63  100.56  130.88  1.44 11 0 "[    .    1    .    2]" 
        78 . 1 112 LYS C 1 113 ARG N  1 113 ARG CA 1 113 ARG C -155.00  -71.00 -155.02 -154.57 -155.41  5.48  3 1 "[  + .    1    .    2]" 
        79 . 1 113 ARG C 1 114 VAL N  1 114 VAL CA 1 114 VAL C -133.00  -61.00 -132.40 -139.38  -69.76  6.38 17 2 "[    .    1    - +  2]" 
        80 . 1 115 PRO C 1 116 ASN N  1 116 ASN CA 1 116 ASN C -166.00  -18.00 -114.56 -157.90  -21.23     .  . 0 "[    .    1    .    2]" 
        81 . 1 116 ASN N 1 116 ASN CA 1 116 ASN C  1 117 ALA N  105.00 -179.00  152.12  137.20  130.20 12.80  9 3 "[    .*  +1    .   -2]" 
        82 . 1 118 TYR C 1 119 ASP N  1 119 ASP CA 1 119 ASP C -143.00  -23.00  -54.63 -151.42  -33.46  8.42 18 1 "[    .    1    .  + 2]" 
        83 . 1 121 THR C 1 122 ALA N  1 122 ALA CA 1 122 ALA C -118.00  -30.00  -65.99  -42.24  -43.95  3.45 14 0 "[    .    1    .    2]" 
        84 . 1 122 ALA N 1 122 ALA CA 1 122 ALA C  1 123 LEU N  110.00  170.00  132.69  109.15  108.69  2.68  9 0 "[    .    1    .    2]" 
        85 . 1 122 ALA C 1 123 LEU N  1 123 LEU CA 1 123 LEU C -146.00  -46.00  -70.76 -114.77  -41.88  4.12 11 0 "[    .    1    .    2]" 
        86 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C  1 124 ALA N  103.00  159.00  153.18  117.64  159.98  0.98 17 0 "[    .    1    .    2]" 
        87 . 1 123 LEU C 1 124 ALA N  1 124 ALA CA 1 124 ALA C -124.00  -60.00 -100.11 -108.04 -108.18     .  . 0 "[    .    1    .    2]" 
        88 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C  1 125 LEU N  101.00  157.00  118.94  121.42  119.82     .  . 0 "[    .    1    .    2]" 
        89 . 1 124 ALA C 1 125 LEU N  1 125 LEU CA 1 125 LEU C -155.00  -55.00 -140.96 -144.78 -136.56     .  . 0 "[    .    1    .    2]" 
        90 . 1 125 LEU C 1 126 GLU N  1 126 GLU CA 1 126 GLU C -144.00  -48.00 -144.16 -144.21 -144.67  4.02 11 0 "[    .    1    .    2]" 
        91 . 1 126 GLU N 1 126 GLU CA 1 126 GLU C  1 127 VAL N  130.00 -178.00  149.61  138.94 -176.98  1.02 15 0 "[    .    1    .    2]" 
        92 . 1 126 GLU C 1 127 VAL N  1 127 VAL CA 1 127 VAL C  -71.00  -39.00  -53.95  -56.96  -57.94     .  . 0 "[    .    1    .    2]" 
        93 . 1 130 LEU N 1 130 LEU CA 1 130 LEU C  1 131 VAL N   89.00  169.00  140.79  135.11  166.04     .  . 0 "[    .    1    .    2]" 
        94 . 1 130 LEU C 1 131 VAL N  1 131 VAL CA 1 131 VAL C -150.00  -98.00 -131.86 -137.75 -126.29     .  . 0 "[    .    1    .    2]" 
        95 . 1 131 VAL N 1 131 VAL CA 1 131 VAL C  1 132 LYS N   96.00  172.00  149.96  155.33  153.76     .  . 0 "[    .    1    .    2]" 
        96 . 1 131 VAL C 1 132 LYS N  1 132 LYS CA 1 132 LYS C -141.00  -57.00  -98.69  -85.31  -97.43     .  . 0 "[    .    1    .    2]" 
        97 . 1 132 LYS C 1 133 VAL N  1 133 VAL CA 1 133 VAL C -142.00  -54.00  -67.60 -142.65  -46.03  7.97 17 1 "[    .    1    . +  2]" 
        98 . 1 134 THR C 1 135 LYS N  1 135 LYS CA 1 135 LYS C  179.00  -69.00  -77.09 -157.51  -62.63  6.37 18 1 "[    .    1    .  + 2]" 
        99 . 1 135 LYS N 1 135 LYS CA 1 135 LYS C  1 136 ILE N  102.00 -174.00  125.56   98.74  151.73  3.26 19 0 "[    .    1    .    2]" 
       100 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C  1 137 ASN N  105.00  161.00  137.19  126.19  107.88  3.03 17 0 "[    .    1    .    2]" 
       101 . 1 138 MET C 1 139 SER N  1 139 SER CA 1 139 SER C -135.00  -51.00  -93.05  -75.77  -88.98  8.96 16 2 "[    -    1    .+   2]" 
       102 . 1 139 SER N 1 139 SER CA 1 139 SER C  1 140 GLY N  -27.00   33.00   12.46  -16.63   29.79     .  . 0 "[    .    1    .    2]" 
       103 . 1 140 GLY C 1 141 GLN N  1 141 GLN CA 1 141 GLN C -126.00  -62.00  -82.50  -86.18  -91.96  7.36 11 1 "[    .    1+   .    2]" 
       104 . 1 142 TRP C 1 143 GLU N  1 143 GLU CA 1 143 GLU C -151.00  -79.00 -115.12 -109.12 -115.53     .  . 0 "[    .    1    .    2]" 
       105 . 1 144 GLY C 1 145 GLU N  1 145 GLU CA 1 145 GLU C -167.00  -99.00 -158.35 -163.55 -168.35  6.03 15 4 "[    . - *1    +  * 2]" 
       106 . 1 145 GLU N 1 145 GLU CA 1 145 GLU C  1 146 CYS N  109.00  173.00  124.45  107.53  139.33  1.47 14 0 "[    .    1    .    2]" 
       107 . 1 145 GLU C 1 146 CYS N  1 146 CYS CA 1 146 CYS C -176.00  -52.00 -125.61 -148.05 -100.84     .  . 0 "[    .    1    .    2]" 
       108 . 1 147 ASN C 1 148 GLY N  1 148 GLY CA 1 148 GLY C   61.00  101.00   93.18   93.28   92.14  3.21 20 0 "[    .    1    .    2]" 
       109 . 1 148 GLY N 1 148 GLY CA 1 148 GLY C  1 149 LYS N  -33.00   31.00  -30.98  -36.07  -21.31  3.07  2 0 "[    .    1    .    2]" 
       110 . 1 148 GLY C 1 149 LYS N  1 149 LYS CA 1 149 LYS C -144.00  -60.00  -65.73  -73.13  -57.54  2.46 19 0 "[    .    1    .    2]" 
       111 . 1 150 ARG N 1 150 ARG CA 1 150 ARG C  1 151 GLY N  120.00  172.00  168.94  168.03  166.17 10.79 19 1 "[    .    1    .   +2]" 
       112 . 1 151 GLY C 1 152 HIS N  1 152 HIS CA 1 152 HIS C -147.00  -71.00 -122.07 -145.37  -59.02 11.98 18 3 "[   -.*   1    .  + 2]" 
       113 . 1 152 HIS N 1 152 HIS CA 1 152 HIS C  1 153 PHE N  110.00  174.00  169.93  176.15  175.37 14.70 20 1 "[    .    1    .    +]" 
       114 . 1 153 PHE N 1 153 PHE CA 1 153 PHE C  1 154 PRO N  112.00 -168.00  123.94  110.72  154.89  1.28 16 0 "[    .    1    .    2]" 
       115 . 1 153 PHE C 1 154 PRO N  1 154 PRO CA 1 154 PRO C  -72.00  -48.00  -54.35  -55.65  -62.72  3.67 18 0 "[    .    1    .    2]" 
       116 . 1 154 PRO C 1 155 PHE N  1 155 PHE CA 1 155 PHE C  -73.00  -53.00  -67.81  -67.27  -72.01  3.23  1 0 "[    .    1    .    2]" 
       117 . 1 155 PHE N 1 155 PHE CA 1 155 PHE C  1 156 THR N  -41.00   -1.00   -1.45   -5.80    2.86  3.86 19 0 "[    .    1    .    2]" 
       118 . 1 155 PHE C 1 156 THR N  1 156 THR CA 1 156 THR C -102.00  -46.00  -57.39  -56.79  -58.77     .  . 0 "[    .    1    .    2]" 
       119 . 1 156 THR N 1 156 THR CA 1 156 THR C  1 157 HIS N  -52.00    0.00   -1.45  -38.31   10.70 10.70 20 2 "[    -    1    .    +]" 
       120 . 1 157 HIS C 1 158 VAL N  1 158 VAL CA 1 158 VAL C -179.00  -95.00 -159.07 -174.26 -135.61     .  . 0 "[    .    1    .    2]" 
       121 . 1 158 VAL C 1 159 ARG N  1 159 ARG CA 1 159 ARG C -165.00  -81.00 -120.70 -130.98 -131.91     .  . 0 "[    .    1    .    2]" 
    stop_

save_



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