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
590605 2mot 17278 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2mot


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              181
    _TA_constraint_stats_list.Viol_count                    1123
    _TA_constraint_stats_list.Viol_total                    49539.56
    _TA_constraint_stats_list.Viol_max                      19.94
    _TA_constraint_stats_list.Viol_rms                      1.89
    _TA_constraint_stats_list.Viol_average_all_restraints   0.68
    _TA_constraint_stats_list.Viol_average_violations_only  2.21
    _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 PHI 1   4 GLY C 1   5 MET N  1   5 MET CA 1   5 MET C -118.10  -52.00  -56.45  -54.02  -57.64  1.78 15  0 "[    .    1    .    2]" 
         2 PSI 1   5 MET N 1   5 MET CA 1   5 MET C  1   6 GLY N  100.20  178.20  148.46  124.11  178.48  0.28  1  0 "[    .    1    .    2]" 
         3 PHI 1   6 GLY C 1   7 VAL N  1   7 VAL CA 1   7 VAL C -142.60  -74.60  -74.32  -81.56  -72.86  1.74 17  0 "[    .    1    .    2]" 
         4 PSI 1   7 VAL N 1   7 VAL CA 1   7 VAL C  1   8 ASP N  104.40  144.40  108.94  107.88  104.87  0.63  4  0 "[    .    1    .    2]" 
         5 PHI 1   7 VAL C 1   8 ASP N  1   8 ASP CA 1   8 ASP C -107.10  -37.60 -101.27 -108.66  -93.03  1.56  5  0 "[    .    1    .    2]" 
         6 PSI 1   8 ASP N 1   8 ASP CA 1   8 ASP C  1   9 GLU N   99.00  165.80  166.11  166.09  166.00  3.74 18  0 "[    .    1    .    2]" 
         7 PHI 1   8 ASP C 1   9 GLU N  1   9 GLU CA 1   9 GLU C  -79.00  -39.00  -62.82  -51.96  -56.08     .  .  0 "[    .    1    .    2]" 
         8 PSI 1   9 GLU N 1   9 GLU CA 1   9 GLU C  1  10 ASN N  -55.10  -15.10  -16.20  -26.04  -12.63  2.47 18  0 "[    .    1    .    2]" 
         9 PHI 1   9 GLU C 1  10 ASN N  1  10 ASN CA 1  10 ASN C  -80.70  -40.70  -68.42  -65.67  -67.02     .  .  0 "[    .    1    .    2]" 
        10 PSI 1  10 ASN N 1  10 ASN CA 1  10 ASN C  1  11 CYS N  -61.60  -21.60  -47.61  -61.56  -33.05     .  .  0 "[    .    1    .    2]" 
        11 PHI 1  10 ASN C 1  11 CYS N  1  11 CYS CA 1  11 CYS C  -83.70  -43.70  -49.76  -67.79  -43.45  0.25 13  0 "[    .    1    .    2]" 
        12 PSI 1  11 CYS N 1  11 CYS CA 1  11 CYS C  1  12 VAL N  -59.80  -19.80  -30.06  -25.76  -26.58     .  .  0 "[    .    1    .    2]" 
        13 PHI 1  11 CYS C 1  12 VAL N  1  12 VAL CA 1  12 VAL C  -85.10  -45.10  -79.83  -84.81  -87.30  5.77 10  2 "[    .    +    .  - 2]" 
        14 PSI 1  12 VAL N 1  12 VAL CA 1  12 VAL C  1  13 ALA N  -60.50  -20.50  -42.94  -55.82  -26.77     .  .  0 "[    .    1    .    2]" 
        15 PHI 1  12 VAL C 1  13 ALA N  1  13 ALA CA 1  13 ALA C  -80.00  -40.00  -51.00  -46.86  -47.60     .  .  0 "[    .    1    .    2]" 
        16 PSI 1  13 ALA N 1  13 ALA CA 1  13 ALA C  1  14 ARG N  -66.10  -26.10  -31.87  -43.88  -23.51  2.59 17  0 "[    .    1    .    2]" 
        17 PHI 1  13 ALA C 1  14 ARG N  1  14 ARG CA 1  14 ARG C  -84.80  -44.80  -71.31  -62.43  -64.10  2.06 15  0 "[    .    1    .    2]" 
        18 PSI 1  14 ARG N 1  14 ARG CA 1  14 ARG C  1  15 PHE N  -58.90  -18.90  -54.27  -61.47  -36.83  2.57 17  0 "[    .    1    .    2]" 
        19 PHI 1  14 ARG C 1  15 PHE N  1  15 PHE CA 1  15 PHE C  -85.40  -45.40  -61.39  -62.13  -63.97     .  .  0 "[    .    1    .    2]" 
        20 PSI 1  15 PHE N 1  15 PHE CA 1  15 PHE C  1  16 ASN N  -55.90  -15.90  -31.29  -42.86  -20.43     .  .  0 "[    .    1    .    2]" 
        21 PHI 1  15 PHE C 1  16 ASN N  1  16 ASN CA 1  16 ASN C  -88.90  -48.90  -74.92  -68.36  -69.93  0.20 15  0 "[    .    1    .    2]" 
        22 PSI 1  16 ASN N 1  16 ASN CA 1  16 ASN C  1  17 GLU N  -55.10  -15.10  -15.09  -22.14  -10.74  4.36  8  0 "[    .    1    .    2]" 
        23 PHI 1  16 ASN C 1  17 GLU N  1  17 GLU CA 1  17 GLU C  -91.30  -51.30  -81.71  -85.58  -86.68  3.10 14  0 "[    .    1    .    2]" 
        24 PSI 1  17 GLU N 1  17 GLU CA 1  17 GLU C  1  18 LEU N  -57.10  -17.10  -45.84  -41.63  -42.15  2.54 20  0 "[    .    1    .    2]" 
        25 PHI 1  17 GLU C 1  18 LEU N  1  18 LEU CA 1  18 LEU C  -84.60  -44.60  -76.71  -85.70  -58.03  1.10 15  0 "[    .    1    .    2]" 
        26 PSI 1  18 LEU N 1  18 LEU CA 1  18 LEU C  1  19 LYS N  -62.00  -16.40  -21.52  -15.68  -16.76  3.01 20  0 "[    .    1    .    2]" 
        27 PHI 1  18 LEU C 1  19 LYS N  1  19 LYS CA 1  19 LYS C  -86.10  -46.10  -79.00  -81.90  -83.68  3.28 19  0 "[    .    1    .    2]" 
        28 PSI 1  19 LYS N 1  19 LYS CA 1  19 LYS C  1  20 ILE N  -61.60   -8.60  -30.72  -43.94  -18.94     .  .  0 "[    .    1    .    2]" 
        29 PHI 1  19 LYS C 1  20 ILE N  1  20 ILE CA 1  20 ILE C  -97.60  -50.80  -86.71  -60.34  -68.58  1.83 20  0 "[    .    1    .    2]" 
        30 PSI 1  20 ILE N 1  20 ILE CA 1  20 ILE C  1  21 ARG N  -66.90   -3.10  -28.49  -42.17   -2.83  0.27  7  0 "[    .    1    .    2]" 
        31 PHI 1  20 ILE C 1  21 ARG N  1  21 ARG CA 1  21 ARG C -122.50  -56.90  -93.03  -93.06  -94.22  0.10 10  0 "[    .    1    .    2]" 
        32 PSI 1  21 ARG N 1  21 ARG CA 1  21 ARG C  1  22 LYS N  -34.94   24.56  -39.18  -39.35  -39.93  8.51 19  7 "[  * .**- 1  * .*  +2]" 
        33 PHI 1  21 ARG C 1  22 LYS N  1  22 LYS CA 1  22 LYS C   41.20   81.20   57.56   55.88   54.50  4.01 20  0 "[    .    1    .    2]" 
        34 PSI 1  22 LYS N 1  22 LYS CA 1  22 LYS C  1  23 THR N   19.40   59.40   17.92   16.78   16.22  6.92 17  5 "[   **    1 *  - +  2]" 
        35 PHI 1  24 VAL C 1  25 LYS N  1  25 LYS CA 1  25 LYS C -140.10  -63.90  -83.40 -104.34 -106.32  7.98 19  1 "[    .    1    .   +2]" 
        36 PSI 1  25 LYS N 1  25 LYS CA 1  25 LYS C  1  26 TRP N  -74.80    8.70   -7.72  -36.85   10.89  2.19  7  0 "[    .    1    .    2]" 
        37 PHI 1  26 TRP C 1  27 ILE N  1  27 ILE CA 1  27 ILE C -178.30 -100.40 -112.00 -130.22  -95.90  4.50  7  0 "[    .    1    .    2]" 
        38 PSI 1  27 ILE N 1  27 ILE CA 1  27 ILE C  1  28 VAL N  106.80  179.80  121.90  122.83  121.11     .  .  0 "[    .    1    .    2]" 
        39 PHI 1  27 ILE C 1  28 VAL N  1  28 VAL CA 1  28 VAL C -152.62 -112.62 -104.40 -110.86  -97.20 15.42 12 18 "[******* -**+*******2]" 
        40 PSI 1  28 VAL N 1  28 VAL CA 1  28 VAL C  1  29 PHE N  108.70  148.70  109.88  104.89  119.98  3.81 20  0 "[    .    1    .    2]" 
        41 PHI 1  28 VAL C 1  29 PHE N  1  29 PHE CA 1  29 PHE C -144.60  -93.10 -104.07 -113.87  -92.62  0.48 18  0 "[    .    1    .    2]" 
        42 PSI 1  29 PHE N 1  29 PHE CA 1  29 PHE C  1  30 LYS N  111.60  161.10  145.91  151.15  146.33  1.67 17  0 "[    .    1    .    2]" 
        43 PHI 1  29 PHE C 1  30 LYS N  1  30 LYS CA 1  30 LYS C -153.20 -113.20 -121.95 -154.55 -109.91  3.29  4  0 "[    .    1    .    2]" 
        44 PSI 1  30 LYS N 1  30 LYS CA 1  30 LYS C  1  31 ILE N  125.10 -176.00  146.78  154.59  129.12  3.58 14  0 "[    .    1    .    2]" 
        45 PHI 1  30 LYS C 1  31 ILE N  1  31 ILE CA 1  31 ILE C -129.40  -72.20 -104.98 -130.85  -79.29  1.45 16  0 "[    .    1    .    2]" 
        46 PSI 1  31 ILE N 1  31 ILE CA 1  31 ILE C  1  32 GLU N  102.10  146.50  114.47  104.06  130.07     .  .  0 "[    .    1    .    2]" 
        47 PHI 1  31 ILE C 1  32 GLU N  1  32 GLU CA 1  32 GLU C -147.70  -80.50  -84.00  -82.72  -90.71  3.02 18  0 "[    .    1    .    2]" 
        48 PSI 1  32 GLU N 1  32 GLU CA 1  32 GLU C  1  33 ASN N   90.63 -175.52 -168.43 -169.49 -169.64  9.80  8 19 "[***** *+-***********]" 
        49 PHI 1  32 GLU C 1  33 ASN N  1  33 ASN CA 1  33 ASN C  170.73  -73.77  -66.15  -68.79  -64.17  9.60 20 19 "[***** **-**********+]" 
        50 PSI 1  33 ASN N 1  33 ASN CA 1  33 ASN C  1  34 THR N   91.76  173.96   91.10   87.88  103.84  3.88 20  0 "[    .    1    .    2]" 
        51 PHI 1  34 THR C 1  35 LYS N  1  35 LYS CA 1  35 LYS C -173.50  -95.10 -173.80 -174.00 -174.08  5.02  8  1 "[    .  + 1    .    2]" 
        52 PSI 1  35 LYS N 1  35 LYS CA 1  35 LYS C  1  36 ILE N  127.20  167.20  160.34  160.98  160.60     .  .  0 "[    .    1    .    2]" 
        53 PHI 1  35 LYS C 1  36 ILE N  1  36 ILE CA 1  36 ILE C -142.60  -50.60 -122.60 -123.26 -123.67     .  .  0 "[    .    1    .    2]" 
        54 PSI 1  36 ILE N 1  36 ILE CA 1  36 ILE C  1  37 VAL N  103.10 -178.30  145.59  147.22  145.84     .  .  0 "[    .    1    .    2]" 
        55 PHI 1  36 ILE C 1  37 VAL N  1  37 VAL CA 1  37 VAL C -156.80 -103.20 -153.11 -154.80 -155.92  0.22  1  0 "[    .    1    .    2]" 
        56 PSI 1  37 VAL N 1  37 VAL CA 1  37 VAL C  1  38 VAL N  136.40  177.30  167.17  151.44  175.35     .  .  0 "[    .    1    .    2]" 
        57 PHI 1  37 VAL C 1  38 VAL N  1  38 VAL CA 1  38 VAL C -105.50  -47.90 -104.34 -104.39 -105.87  3.54  1  0 "[    .    1    .    2]" 
        58 PSI 1  38 VAL N 1  38 VAL CA 1  38 VAL C  1  39 GLU N  102.50  142.50  143.68  142.75  142.14  3.29 13  0 "[    .    1    .    2]" 
        59 PHI 1  38 VAL C 1  39 GLU N  1  39 GLU CA 1  39 GLU C -114.90  -71.80 -109.98 -108.65 -110.20  0.67 13  0 "[    .    1    .    2]" 
        60 PSI 1  39 GLU N 1  39 GLU CA 1  39 GLU C  1  40 LYS N  -58.30  -18.30  -51.37  -57.52  -40.09     .  .  0 "[    .    1    .    2]" 
        61 PHI 1  39 GLU C 1  40 LYS N  1  40 LYS CA 1  40 LYS C  168.40 -116.90 -119.88 -116.64 -117.95  2.66 15  0 "[    .    1    .    2]" 
        62 PSI 1  40 LYS N 1  40 LYS CA 1  40 LYS C  1  41 ASP N  143.00 -177.00  158.82  155.76  151.61     .  .  0 "[    .    1    .    2]" 
        63 PHI 1  45 ASN C 1  46 ALA N  1  46 ALA CA 1  46 ALA C  -83.00  -43.00  -54.96  -66.51  -42.52  0.48  8  0 "[    .    1    .    2]" 
        64 PSI 1  46 ALA N 1  46 ALA CA 1  46 ALA C  1  47 ASP N  -60.00  -11.60  -28.01  -22.88  -22.91     .  .  0 "[    .    1    .    2]" 
        65 PHI 1  46 ALA C 1  47 ASP N  1  47 ASP CA 1  47 ASP C  -88.40  -48.40  -54.08  -77.74  -48.22  0.18 16  0 "[    .    1    .    2]" 
        66 PSI 1  47 ASP N 1  47 ASP CA 1  47 ASP C  1  48 GLU N  -57.60  -17.60  -46.94  -39.48  -44.22  1.80 20  0 "[    .    1    .    2]" 
        67 PHI 1  47 ASP C 1  48 GLU N  1  48 GLU CA 1  48 GLU C  -82.30  -42.30  -84.33  -83.53  -83.88  4.67 19  0 "[    .    1    .    2]" 
        68 PSI 1  48 GLU N 1  48 GLU CA 1  48 GLU C  1  49 PHE N  -57.20  -17.20  -41.71  -56.25  -27.39     .  .  0 "[    .    1    .    2]" 
        69 PHI 1  48 GLU C 1  49 PHE N  1  49 PHE CA 1  49 PHE C  -84.70  -44.70  -57.17  -53.34  -56.18     .  .  0 "[    .    1    .    2]" 
        70 PSI 1  49 PHE N 1  49 PHE CA 1  49 PHE C  1  50 ARG N  -63.90  -23.90  -36.79  -55.09  -23.82  0.08 11  0 "[    .    1    .    2]" 
        71 PHI 1  49 PHE C 1  50 ARG N  1  50 ARG CA 1  50 ARG C  -86.60  -46.60  -79.23  -59.44  -71.38  1.53 15  0 "[    .    1    .    2]" 
        72 PSI 1  50 ARG N 1  50 ARG CA 1  50 ARG C  1  51 GLY N  -50.50  -10.50  -20.47  -50.92  -12.08  0.42 18  0 "[    .    1    .    2]" 
        73 PHI 1  50 ARG C 1  51 GLY N  1  51 GLY CA 1  51 GLY C -120.10  -48.30 -111.84 -121.64  -70.34  1.54 11  0 "[    .    1    .    2]" 
        74 PSI 1  51 GLY N 1  51 GLY CA 1  51 GLY C  1  52 ALA N  -51.50   19.50   12.12   11.93   11.11  0.66 15  0 "[    .    1    .    2]" 
        75 PHI 1  51 GLY C 1  52 ALA N  1  52 ALA CA 1  52 ALA C -123.70  -58.70 -117.89 -110.51 -115.35  2.53 16  0 "[    .    1    .    2]" 
        76 PSI 1  52 ALA N 1  52 ALA CA 1  52 ALA C  1  53 LEU N  -48.20   21.50  -32.31  -50.08   22.68  1.88 10  0 "[    .    1    .    2]" 
        77 PHI 1  52 ALA C 1  53 LEU N  1  53 LEU CA 1  53 LEU C -146.00  -25.90  -59.81 -144.07  -47.26     .  .  0 "[    .    1    .    2]" 
        78 PSI 1  53 LEU N 1  53 LEU CA 1  53 LEU C  1  54 PRO N   64.20 -169.40  127.81  138.92  132.54     .  .  0 "[    .    1    .    2]" 
        79 PSI 1  54 PRO N 1  54 PRO CA 1  54 PRO C  1  55 ALA N  126.40  170.80  144.71  148.54  144.84     .  .  0 "[    .    1    .    2]" 
        80 PHI 1  54 PRO C 1  55 ALA N  1  55 ALA CA 1  55 ALA C  -81.10  -41.10  -82.18  -82.43  -82.62  2.47 17  0 "[    .    1    .    2]" 
        81 PSI 1  55 ALA N 1  55 ALA CA 1  55 ALA C  1  56 ASN N  -50.80    0.50  -19.86  -41.35    0.37     .  .  0 "[    .    1    .    2]" 
        82 PHI 1  55 ALA C 1  56 ASN N  1  56 ASN CA 1  56 ASN C -141.10  -68.70 -102.69 -131.02  -68.69  0.01 16  0 "[    .    1    .    2]" 
        83 PSI 1  56 ASN N 1  56 ASN CA 1  56 ASN C  1  57 ASP N  -33.70   38.20   11.20   12.91  -17.15  0.83 19  0 "[    .    1    .    2]" 
        84 PHI 1  56 ASN C 1  57 ASP N  1  57 ASP CA 1  57 ASP C  171.80  -70.50 -156.51  179.58 -134.13     .  .  0 "[    .    1    .    2]" 
        85 PSI 1  57 ASP N 1  57 ASP CA 1  57 ASP C  1  58 CYS N  142.80 -177.20  171.09 -177.76  177.51  1.88  3  0 "[    .    1    .    2]" 
        86 PHI 1  58 CYS C 1  59 ARG N  1  59 ARG CA 1  59 ARG C -161.70 -121.70 -157.80 -163.95 -139.63  2.25 12  0 "[    .    1    .    2]" 
        87 PSI 1  59 ARG N 1  59 ARG CA 1  59 ARG C  1  60 PHE N  140.40 -179.00  156.74  152.38  149.72  1.41 12  0 "[    .    1    .    2]" 
        88 PHI 1  59 ARG C 1  60 PHE N  1  60 PHE CA 1  60 PHE C -153.10 -109.80 -117.42 -109.45 -109.60  1.25  7  0 "[    .    1    .    2]" 
        89 PSI 1  60 PHE N 1  60 PHE CA 1  60 PHE C  1  61 GLY N  132.40  172.40  153.95  173.66  156.39  4.98  8  0 "[    .    1    .    2]" 
        90 PHI 1  61 GLY C 1  62 VAL N  1  62 VAL CA 1  62 VAL C -166.80 -103.90 -111.46 -104.18 -104.92  0.59 20  0 "[    .    1    .    2]" 
        91 PSI 1  62 VAL N 1  62 VAL CA 1  62 VAL C  1  63 TYR N  128.60 -173.10  132.07  126.74  147.84  1.86 10  0 "[    .    1    .    2]" 
        92 PHI 1  62 VAL C 1  63 TYR N  1  63 TYR CA 1  63 TYR C -164.20  -90.90 -145.02 -144.34 -145.26     .  .  0 "[    .    1    .    2]" 
        93 PSI 1  63 TYR N 1  63 TYR CA 1  63 TYR C  1  64 ASP N  110.20  150.20  120.97  126.28  122.14     .  .  0 "[    .    1    .    2]" 
        94 PHI 1  63 TYR C 1  64 ASP N  1  64 ASP CA 1  64 ASP C -103.80  -54.50  -57.23  -63.66  -52.33  2.17 11  0 "[    .    1    .    2]" 
        95 PSI 1  64 ASP N 1  64 ASP CA 1  64 ASP C  1  65 CYS N  102.70  144.20  102.31  100.98  106.70  1.72 20  0 "[    .    1    .    2]" 
        96 PHI 1  64 ASP C 1  65 CYS N  1  65 CYS CA 1  65 CYS C -129.60  -70.00  -84.22  -85.26  -85.95     .  .  0 "[    .    1    .    2]" 
        97 PSI 1  65 CYS N 1  65 CYS CA 1  65 CYS C  1  66 GLY N  -16.40   23.60   -4.10  -11.06   23.68  0.08  5  0 "[    .    1    .    2]" 
        98 PHI 1  66 GLY C 1  67 ASN N  1  67 ASN CA 1  67 ASN C -126.10  -69.80 -118.07 -126.61 -103.22  0.51 17  0 "[    .    1    .    2]" 
        99 PSI 1  67 ASN N 1  67 ASN CA 1  67 ASN C  1  68 LYS N  -54.80   48.90  -27.83  -43.59  -53.09     .  .  0 "[    .    1    .    2]" 
       100 PHI 1  67 ASN C 1  68 LYS N  1  68 LYS CA 1  68 LYS C  146.10  -77.00 -162.52 -175.29 -113.46     .  .  0 "[    .    1    .    2]" 
       101 PSI 1  68 LYS N 1  68 LYS CA 1  68 LYS C  1  69 ILE N  109.30  177.80  174.02  171.22  167.22  1.63  6  0 "[    .    1    .    2]" 
       102 PHI 1  68 LYS C 1  69 ILE N  1  69 ILE CA 1  69 ILE C -149.30  -78.40 -109.85 -121.88  -79.87     .  .  0 "[    .    1    .    2]" 
       103 PSI 1  69 ILE N 1  69 ILE CA 1  69 ILE C  1  70 GLN N   87.60  164.30   94.42   88.85  102.94     .  .  0 "[    .    1    .    2]" 
       104 PHI 1  69 ILE C 1  70 GLN N  1  70 GLN CA 1  70 GLN C -141.00  -83.70  -81.58  -81.78  -81.93  5.75 17  1 "[    .    1    . +  2]" 
       105 PSI 1  70 GLN N 1  70 GLN CA 1  70 GLN C  1  71 PHE N   52.12   92.12  104.75  100.10  112.06 19.94 17 20  [***********-****+***]  
       106 PHI 1  70 GLN C 1  71 PHE N  1  71 PHE CA 1  71 PHE C  179.16 -126.54 -113.37 -117.14 -108.23 18.31 17 20  [***********-****+***]  
       107 PSI 1  71 PHE N 1  71 PHE CA 1  71 PHE C  1  72 VAL N   97.70  137.70  128.58  131.64  129.85     .  .  0 "[    .    1    .    2]" 
       108 PHI 1  71 PHE C 1  72 VAL N  1  72 VAL CA 1  72 VAL C -133.40  -87.20 -120.44 -135.32  -87.21  1.92  9  0 "[    .    1    .    2]" 
       109 PSI 1  72 VAL N 1  72 VAL CA 1  72 VAL C  1  73 LEU N  109.40  149.40  149.39  138.36  153.89  4.49  7  0 "[    .    1    .    2]" 
       110 PHI 1  72 VAL C 1  73 LEU N  1  73 LEU CA 1  73 LEU C -143.70  -93.60 -132.22 -131.58 -135.00  8.24  9  1 "[    .   +1    .    2]" 
       111 PSI 1  73 LEU N 1  73 LEU CA 1  73 LEU C  1  74 TRP N   94.51  146.61  145.18  100.67  150.76  4.15 12  0 "[    .    1    .    2]" 
       112 PHI 1  73 LEU C 1  74 TRP N  1  74 TRP CA 1  74 TRP C -135.20  -86.40 -108.47 -103.49 -104.84  4.54  9  0 "[    .    1    .    2]" 
       113 PSI 1  74 TRP N 1  74 TRP CA 1  74 TRP C  1  75 CYS N  103.70  143.70  119.98  141.11  138.09  2.41 20  0 "[    .    1    .    2]" 
       114 PSI 1  76 PRO N 1  76 PRO CA 1  76 PRO C  1  77 ASP N  124.40  165.20  139.44  133.63  148.80     .  .  0 "[    .    1    .    2]" 
       115 PHI 1  76 PRO C 1  77 ASP N  1  77 ASP CA 1  77 ASP C  -86.15  -45.75  -88.59  -88.18  -88.28  3.59  9  0 "[    .    1    .    2]" 
       116 PSI 1  77 ASP N 1  77 ASP CA 1  77 ASP C  1  78 ASN N  -46.70    1.10    1.62    1.52    1.51  1.47 16  0 "[    .    1    .    2]" 
       117 PHI 1  77 ASP C 1  78 ASN N  1  78 ASN CA 1  78 ASN C -121.10  -77.50  -89.29  -88.84  -89.14     .  .  0 "[    .    1    .    2]" 
       118 PSI 1  78 ASN N 1  78 ASN CA 1  78 ASN C  1  79 ALA N  -28.80   28.60  -30.58  -32.63  -29.61  3.83 16  0 "[    .    1    .    2]" 
       119 PSI 1  80 PRO N 1  80 PRO CA 1  80 PRO C  1  81 VAL N  -52.20  -11.20  -26.10  -28.25  -22.98     .  .  0 "[    .    1    .    2]" 
       120 PHI 1  80 PRO C 1  81 VAL N  1  81 VAL CA 1  81 VAL C  -75.60  -31.00  -50.37  -49.23  -49.23     .  .  0 "[    .    1    .    2]" 
       121 PSI 1  81 VAL N 1  81 VAL CA 1  81 VAL C  1  82 LYS N  -71.50  -26.90  -25.10  -25.22  -25.33  3.15 14  0 "[    .    1    .    2]" 
       122 PHI 1  81 VAL C 1  82 LYS N  1  82 LYS CA 1  82 LYS C  -79.20  -39.20  -79.65  -81.25  -77.90  2.05 14  0 "[    .    1    .    2]" 
       123 PSI 1  82 LYS N 1  82 LYS CA 1  82 LYS C  1  83 PRO N  -67.10  -27.10  -64.71  -65.96  -62.50     .  .  0 "[    .    1    .    2]" 
       124 PSI 1  83 PRO N 1  83 PRO CA 1  83 PRO C  1  84 ARG N  -57.80  -17.80  -53.42  -51.76  -52.35     .  .  0 "[    .    1    .    2]" 
       125 PHI 1  83 PRO C 1  84 ARG N  1  84 ARG CA 1  84 ARG C  -84.20  -44.20  -47.49  -50.13  -44.60     .  .  0 "[    .    1    .    2]" 
       126 PSI 1  84 ARG N 1  84 ARG CA 1  84 ARG C  1  85 MET N  -59.50  -19.50  -30.03  -37.67  -23.10     .  .  0 "[    .    1    .    2]" 
       127 PHI 1  84 ARG C 1  85 MET N  1  85 MET CA 1  85 MET C  -87.66  -47.66  -89.02  -94.48  -84.76  6.82 20  1 "[    .    1    .    +]" 
       128 PSI 1  85 MET N 1  85 MET CA 1  85 MET C  1  86 THR N  -58.00  -18.00  -51.96  -23.81  -44.16  1.82 14  0 "[    .    1    .    2]" 
       129 PHI 1  85 MET C 1  86 THR N  1  86 THR CA 1  86 THR C  -88.10  -48.10  -62.82  -84.25  -55.29     .  .  0 "[    .    1    .    2]" 
       130 PSI 1  86 THR N 1  86 THR CA 1  86 THR C  1  87 TYR N  -61.15  -21.15  -61.15  -63.98  -48.31  2.83 20  0 "[    .    1    .    2]" 
       131 PHI 1  86 THR C 1  87 TYR N  1  87 TYR CA 1  87 TYR C  -85.10  -45.10  -51.56  -57.29  -47.15     .  .  0 "[    .    1    .    2]" 
       132 PSI 1  87 TYR N 1  87 TYR CA 1  87 TYR C  1  88 ALA N  -59.40  -19.40  -27.45  -34.69  -22.15     .  .  0 "[    .    1    .    2]" 
       133 PHI 1  87 TYR C 1  88 ALA N  1  88 ALA CA 1  88 ALA C  -78.50  -38.50  -64.60  -62.54  -62.56  1.24 20  0 "[    .    1    .    2]" 
       134 PSI 1  88 ALA N 1  88 ALA CA 1  88 ALA C  1  89 SER N  -60.10  -20.10  -58.18  -59.66  -60.18  2.19 20  0 "[    .    1    .    2]" 
       135 PHI 1  88 ALA C 1  89 SER N  1  89 SER CA 1  89 SER C  -84.90  -44.90  -84.41  -85.66  -85.70  2.92 10  0 "[    .    1    .    2]" 
       136 PSI 1  89 SER N 1  89 SER CA 1  89 SER C  1  90 SER N  -58.70    3.40    0.61  -37.68    6.12  2.72 16  0 "[    .    1    .    2]" 
       137 PHI 1  89 SER C 1  90 SER N  1  90 SER CA 1  90 SER C -109.10  -40.50 -101.36 -105.05 -105.57  0.66 12  0 "[    .    1    .    2]" 
       138 PSI 1  90 SER N 1  90 SER CA 1  90 SER C  1  91 LYS N  -66.60    9.70  -23.22  -32.00  -10.32     .  .  0 "[    .    1    .    2]" 
       139 PHI 1  90 SER C 1  91 LYS N  1  91 LYS CA 1  91 LYS C  -80.40  -40.40  -51.84  -56.82  -45.01     .  .  0 "[    .    1    .    2]" 
       140 PSI 1  91 LYS N 1  91 LYS CA 1  91 LYS C  1  92 ASP N  -62.30  -21.00  -27.88  -31.99  -32.63  1.64 16  0 "[    .    1    .    2]" 
       141 PHI 1  91 LYS C 1  92 ASP N  1  92 ASP CA 1  92 ASP C  -83.70  -43.70  -56.83  -51.88  -52.47     .  .  0 "[    .    1    .    2]" 
       142 PSI 1  92 ASP N 1  92 ASP CA 1  92 ASP C  1  93 ALA N  -61.40  -21.40  -29.21  -32.70  -60.44  0.84  1  0 "[    .    1    .    2]" 
       143 PHI 1  92 ASP C 1  93 ALA N  1  93 ALA CA 1  93 ALA C  -92.40  -46.60  -91.06  -99.61  -44.95  7.21  7  2 "[    . +  1    -    2]" 
       144 PSI 1  93 ALA N 1  93 ALA CA 1  93 ALA C  1  94 LEU N  -58.50  -18.50  -55.04  -58.02  -58.43  1.46  9  0 "[    .    1    .    2]" 
       145 PHI 1  93 ALA C 1  94 LEU N  1  94 LEU CA 1  94 LEU C -104.80  -41.10  -49.10  -49.29  -50.37     .  .  0 "[    .    1    .    2]" 
       146 PSI 1  94 LEU N 1  94 LEU CA 1  94 LEU C  1  95 LEU N  -54.80    2.80  -56.20  -59.30  -53.54  4.50 15  0 "[    .    1    .    2]" 
       147 PHI 1  94 LEU C 1  95 LEU N  1  95 LEU CA 1  95 LEU C  -84.50  -44.50  -57.15  -62.00  -51.14     .  .  0 "[    .    1    .    2]" 
       148 PSI 1  95 LEU N 1  95 LEU CA 1  95 LEU C  1  96 LYS N  -58.70  -18.70  -29.94  -36.99  -22.10     .  .  0 "[    .    1    .    2]" 
       149 PHI 1  95 LEU C 1  96 LYS N  1  96 LYS CA 1  96 LYS C  -81.10  -41.10  -82.66  -81.67  -81.97  9.23  7  1 "[    . +  1    .    2]" 
       150 PSI 1  96 LYS N 1  96 LYS CA 1  96 LYS C  1  97 LYS N  -51.60  -11.60  -18.48  -15.34  -30.20  3.10 15  0 "[    .    1    .    2]" 
       151 PHI 1  96 LYS C 1  97 LYS N  1  97 LYS CA 1  97 LYS C -107.90  -67.90  -87.38 -102.57  -65.56  2.34  1  0 "[    .    1    .    2]" 
       152 PSI 1  97 LYS N 1  97 LYS CA 1  97 LYS C  1  98 LEU N  -53.80   36.60   -4.71    4.03  -18.06  4.36  7  0 "[    .    1    .    2]" 
       153 PHI 1  98 LEU C 1  99 ASP N  1  99 ASP CA 1  99 ASP C -131.50  -12.60 -131.04 -133.07 -122.14  1.57 17  0 "[    .    1    .    2]" 
       154 PSI 1  99 ASP N 1  99 ASP CA 1  99 ASP C  1 100 GLY N  103.90  164.10  103.89  102.42  102.25  2.45 15  0 "[    .    1    .    2]" 
       155 PHI 1  99 ASP C 1 100 GLY N  1 100 GLY CA 1 100 GLY C   71.70  111.70   95.39   91.03   89.16     .  .  0 "[    .    1    .    2]" 
       156 PSI 1 100 GLY N 1 100 GLY CA 1 100 GLY C  1 101 ALA N  -33.40   11.70   -3.71  -20.19   11.81  0.11 12  0 "[    .    1    .    2]" 
       157 PHI 1 101 ALA C 1 102 THR N  1 102 THR CA 1 102 THR C -149.10  -50.80  -89.26 -131.75  -60.52     .  .  0 "[    .    1    .    2]" 
       158 PSI 1 102 THR N 1 102 THR CA 1 102 THR C  1 103 ALA N  105.10 -156.30 -167.81 -169.90 -172.27     .  .  0 "[    .    1    .    2]" 
       159 PHI 1 102 THR C 1 103 ALA N  1 103 ALA CA 1 103 ALA C -127.90  -47.70  -85.78  -88.45  -88.92     .  .  0 "[    .    1    .    2]" 
       160 PSI 1 103 ALA N 1 103 ALA CA 1 103 ALA C  1 104 VAL N  -58.80   13.80   12.19  -13.69   16.15  2.35 15  0 "[    .    1    .    2]" 
       161 PHI 1 104 VAL C 1 105 ALA N  1 105 ALA CA 1 105 ALA C -139.90  -59.30  -61.73 -110.14  -56.49  2.81  1  0 "[    .    1    .    2]" 
       162 PSI 1 105 ALA N 1 105 ALA CA 1 105 ALA C  1 106 LEU N   97.80  173.50  162.51  166.71  165.02  0.45  4  0 "[    .    1    .    2]" 
       163 PHI 1 105 ALA C 1 106 LEU N  1 106 LEU CA 1 106 LEU C -138.50  -71.00 -136.66 -139.53 -103.33  1.03 13  0 "[    .    1    .    2]" 
       164 PSI 1 106 LEU N 1 106 LEU CA 1 106 LEU C  1 107 GLU N  101.70  145.90  136.17  109.55  146.30  0.40  3  0 "[    .    1    .    2]" 
       165 PHI 1 106 LEU C 1 107 GLU N  1 107 GLU CA 1 107 GLU C -145.30  -68.20 -132.45 -146.20 -104.49  0.90  3  0 "[    .    1    .    2]" 
       166 PSI 1 107 GLU N 1 107 GLU CA 1 107 GLU C  1 108 ALA N   98.20  138.20   97.89   97.19   96.92  2.44  9  0 "[    .    1    .    2]" 
       167 PHI 1 107 GLU C 1 108 ALA N  1 108 ALA CA 1 108 ALA C -142.46  -98.06 -142.91 -142.18 -142.54  3.80  9  0 "[    .    1    .    2]" 
       168 PSI 1 108 ALA N 1 108 ALA CA 1 108 ALA C  1 109 HIS N  111.30  162.30  144.08  146.16  144.33     .  .  0 "[    .    1    .    2]" 
       169 PHI 1 108 ALA C 1 109 HIS N  1 109 HIS CA 1 109 HIS C  171.90  -63.80 -104.03 -103.40 -104.49     .  .  0 "[    .    1    .    2]" 
       170 PSI 1 109 HIS N 1 109 HIS CA 1 109 HIS C  1 110 GLU N  103.95  158.86  101.53   99.34  103.74  4.61  9  0 "[    .    1    .    2]" 
       171 PHI 1 109 HIS C 1 110 GLU N  1 110 GLU CA 1 110 GLU C -160.36  -64.56 -162.34 -165.57 -160.40  5.21  9  1 "[    .   +1    .    2]" 
       172 PSI 1 110 GLU N 1 110 GLU CA 1 110 GLU C  1 111 MET N  116.80 -173.60  147.21  120.09  171.86     .  .  0 "[    .    1    .    2]" 
       173 PHI 1 110 GLU C 1 111 MET N  1 111 MET CA 1 111 MET C  -82.70  -42.70  -71.72  -61.54  -68.37  0.62  9  0 "[    .    1    .    2]" 
       174 PSI 1 111 MET N 1 111 MET CA 1 111 MET C  1 112 GLY N  -50.80   -8.30  -29.40  -25.41  -25.89     .  .  0 "[    .    1    .    2]" 
       175 PHI 1 111 MET C 1 112 GLY N  1 112 GLY CA 1 112 GLY C  -83.80  -43.80  -67.65  -75.34  -60.27     .  .  0 "[    .    1    .    2]" 
       176 PSI 1 112 GLY N 1 112 GLY CA 1 112 GLY C  1 113 ASP N  -59.20  -14.30  -14.93  -13.95  -14.43  2.14  5  0 "[    .    1    .    2]" 
       177 PHI 1 112 GLY C 1 113 ASP N  1 113 ASP CA 1 113 ASP C  -82.40  -42.40  -69.69  -84.32  -55.63  1.92 13  0 "[    .    1    .    2]" 
       178 PSI 1 113 ASP N 1 113 ASP CA 1 113 ASP C  1 114 LEU N  -75.61  -34.21  -33.90  -41.83  -31.83  2.38 13  0 "[    .    1    .    2]" 
       179 PHI 1 113 ASP C 1 114 LEU N  1 114 LEU CA 1 114 LEU C -119.15  -72.65  -99.26 -106.03 -108.52  2.01  6  0 "[    .    1    .    2]" 
       180 PSI 1 114 LEU N 1 114 LEU CA 1 114 LEU C  1 115 ALA N  -23.50   27.20    6.04    8.61    8.02  0.12  6  0 "[    .    1    .    2]" 
       181 PSI 1 116 PRO N 1 116 PRO CA 1 116 PRO C  1 117 LEU N  -42.70   -2.30  -22.05   -6.83  -20.04  3.16 13  0 "[    .    1    .    2]" 
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