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
640969 5zcz 27354 cing 4-filtered-FRED Wattos check violation dihedral angle


data_5zcz


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              163
    _TA_constraint_stats_list.Viol_count                    1884
    _TA_constraint_stats_list.Viol_total                    225845.22
    _TA_constraint_stats_list.Viol_max                      101.96
    _TA_constraint_stats_list.Viol_rms                      8.90
    _TA_constraint_stats_list.Viol_average_all_restraints   3.46
    _TA_constraint_stats_list.Viol_average_violations_only  5.99
    _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  1 MET C 1  2 LEU N  1  2 LEU CA 1  2 LEU C  -122.70  -73.40  -95.74  -91.65 -105.20  13.82  2  1 "[ +  .    1    .    2]" 
         2 PSI   1  2 LEU N 1  2 LEU CA 1  2 LEU C  1  3 LYS N   118.60  139.40  150.80  136.62  161.66  22.26  6 18 "[* ***+* *****-******]" 
         3 PHI   1  2 LEU C 1  3 LYS N  1  3 LYS CA 1  3 LYS C  -118.60  -83.70 -157.68 -157.31 -159.42  48.54  7 20  [*-****+*************]  
         4 PSI   1  3 LYS N 1  3 LYS CA 1  3 LYS C  1  4 LEU N   112.10  139.50   79.04   83.96   81.36  35.69 13 20  [*-**********+*******]  
         5 PHI   1  3 LYS C 1  4 LEU N  1  4 LEU CA 1  4 LEU C  -122.00  -94.70  -77.92  -68.35  -75.12  26.35  2 20  [*+*-****************]  
         6 PSI   1  4 LEU N 1  4 LEU CA 1  4 LEU C  1  5 LYS N   116.20  136.20  114.29  170.03  127.24  33.83  2 12 "[*+* *   ****- * ** 2]" 
         7 PHI   1  4 LEU C 1  5 LYS N  1  5 LYS CA 1  5 LYS C  -122.40  -85.20  -92.56 -151.40  -78.74  29.00  2  4 "[*+  .    1 -  .*   2]" 
         8 PSI   1  5 LYS N 1  5 LYS CA 1  5 LYS C  1  6 VAL N   102.10  140.00   94.24   92.95   91.37  17.56 17 14 "[** *- ***1 * ***+ **]" 
         9 PHI   1  5 LYS C 1  6 VAL N  1  6 VAL CA 1  6 VAL C  -124.30  -89.90  -64.48  -62.59  -63.32  30.13  2 20  [*+**********-*******]  
        10 PSI   1  6 VAL N 1  6 VAL CA 1  6 VAL C  1  7 GLU N   101.70  141.20  127.74  128.62  115.58  29.70  2  2 "[ +- .    1    .    2]" 
        11 PHI   1  6 VAL C 1  7 GLU N  1  7 GLU CA 1  7 GLU C  -125.60  -72.20  -80.36 -125.43  -58.93  13.27  3  1 "[  + .    1    .    2]" 
        12 PSI   1  7 GLU N 1  7 GLU CA 1  7 GLU C  1  8 GLY N    90.00  155.10  147.07  150.20  149.04   7.44  3  1 "[  + .    1    .    2]" 
        13 PHI   1 18 VAL C 1 19 THR N  1 19 THR CA 1 19 THR C   -76.60  -51.40  -53.71  -63.79  -41.84   9.56 12  1 "[    .    1 +  .    2]" 
        14 PSI   1 19 THR N 1 19 THR CA 1 19 THR C  1 20 LYS N   -46.90  -24.40  -38.40    6.61  -35.67  31.01  2  1 "[ +  .    1    .    2]" 
        15 PHI   1 19 THR C 1 20 LYS N  1 20 LYS CA 1 20 LYS C   -77.80  -57.80  -66.53 -120.39  -58.58  42.59  2  1 "[ +  .    1    .    2]" 
        16 PSI   1 20 LYS N 1 20 LYS CA 1 20 LYS C  1 21 ALA N   -47.40  -27.40  -21.60    6.95  -21.32  34.35  2  8 "[ +* .-*  *  ***    2]" 
        17 PHI   1 20 LYS C 1 21 ALA N  1 21 ALA CA 1 21 ALA C   -77.60  -57.60  -80.89 -118.51  -71.36  40.91  2  8 "[ +  .    **-  .****2]" 
        18 PSI   1 21 ALA N 1 21 ALA CA 1 21 ALA C  1 22 LEU N   -49.70  -29.10  -26.28   -1.41  -22.79  27.69  2  2 "[ + -.    1    .    2]" 
        19 PHI   1 21 ALA C 1 22 LEU N  1 22 LEU CA 1 22 LEU C   -78.00  -58.00  -83.22 -122.81  -73.05  44.81  2 10 "[ + *.*  *1* ***  * -]" 
        20 PSI   1 22 LEU N 1 22 LEU CA 1 22 LEU C  1 23 LYS N   -47.20  -20.40  -34.90   -0.42  -31.57  19.98  2  1 "[ +  .    1    .    2]" 
        21 PHI   1 22 LEU C 1 23 LYS N  1 23 LYS CA 1 23 LYS C   -88.90  -60.30  -65.99  -98.52  -59.18   9.62  2  1 "[ +  .    1    .    2]" 
        22 PSI   1 23 LYS N 1 23 LYS CA 1 23 LYS C  1 24 LYS N   -32.00    2.10  -22.21  -12.73  -20.96      .  .  0 "[    .    1    .    2]" 
        23 PHI   1 23 LYS C 1 24 LYS N  1 24 LYS CA 1 24 LYS C  -103.30  -68.10  -75.56  -85.26  -66.31   1.79  1  0 "[    .    1    .    2]" 
        24 PSI   1 24 LYS N 1 24 LYS CA 1 24 LYS C  1 25 VAL N   -27.10    6.80  -15.07  -10.63  -11.98      .  .  0 "[    .    1    .    2]" 
        25 PHI   1 24 LYS C 1 25 VAL N  1 25 VAL CA 1 25 VAL C   -89.10  -60.60  -77.36  -76.96  -77.67      .  .  0 "[    .    1    .    2]" 
        26 PSI   1 25 VAL N 1 25 VAL CA 1 25 VAL C  1 26 PRO N   113.50  149.00  128.78  123.17  134.70      .  .  0 "[    .    1    .    2]" 
        27 PHI   1 26 PRO C 1 27 GLY N  1 27 GLY CA 1 27 GLY C    77.40  117.40   91.84   69.81   95.22   7.59  2  1 "[ +  .    1    .    2]" 
        28 PSI   1 27 GLY N 1 27 GLY CA 1 27 GLY C  1 28 VAL N   -30.30    3.10  -21.16  -13.98  -19.60      .  .  0 "[    .    1    .    2]" 
        29 PHI   1 27 GLY C 1 28 VAL N  1 28 VAL CA 1 28 VAL C   -94.50  -60.00  -75.03  -80.23  -68.82      .  .  0 "[    .    1    .    2]" 
        30 PSI   1 28 VAL N 1 28 VAL CA 1 28 VAL C  1 29 GLU N   108.60  137.90  130.12  159.30  132.66  21.40  2  1 "[ +  .    1    .    2]" 
        31 PHI   1 28 VAL C 1 29 GLU N  1 29 GLU CA 1 29 GLU C  -123.30  -64.80 -124.81 -147.63 -110.62  24.33  2  2 "[ +  .-   1    .    2]" 
        32 PSI   1 29 GLU N 1 29 GLU CA 1 29 GLU C  1 30 LYS N   -65.40    4.90  -27.86  -18.56  -23.46      .  .  0 "[    .    1    .    2]" 
        33 PHI   1 29 GLU C 1 30 LYS N  1 30 LYS CA 1 30 LYS C  -176.40 -126.20 -132.82 -146.25 -127.90      .  .  0 "[    .    1    .    2]" 
        34 PSI   1 30 LYS N 1 30 LYS CA 1 30 LYS C  1 31 VAL N   125.50  170.90  150.79  163.58  155.72      .  .  0 "[    .    1    .    2]" 
        35 PHI   1 30 LYS C 1 31 VAL N  1 31 VAL CA 1 31 VAL C  -139.00 -104.40 -144.11 -150.92 -135.12  11.92  2 13 "[*+* .**  **** .* -**]" 
        36 PSI   1 31 VAL N 1 31 VAL CA 1 31 VAL C  1 32 GLU N   108.90  138.10  149.03  152.60  151.51  14.50  2 20  [-+******************]  
        37 PHI   1 31 VAL C 1 32 GLU N  1 32 GLU CA 1 32 GLU C  -134.80  -76.80 -144.84 -148.24 -149.11  14.31  1 18 "[+***. ***********-**]" 
        38 PSI   1 32 GLU N 1 32 GLU CA 1 32 GLU C  1 33 VAL N    93.50  150.50  122.03  152.83  131.10   6.57 17  1 "[    .    1    . +  2]" 
        39 PHI   1 32 GLU C 1 33 VAL N  1 33 VAL CA 1 33 VAL C  -125.80  -86.00 -126.63 -153.11  -95.76  27.31  2 10 "[ +  . ** 1***-**   *]" 
        40 PSI   1 33 VAL N 1 33 VAL CA 1 33 VAL C  1 34 SER N    91.40  145.00  157.10  178.40  158.72  33.40  2 20  [*+************-*****]  
        41 PHI   1 33 VAL C 1 34 SER N  1 34 SER CA 1 34 SER C  -110.70  -68.40 -129.19 -147.16 -126.47  36.46  2 20  [*+*********-********]  
        42 PSI   1 34 SER N 1 34 SER CA 1 34 SER C  1 35 LEU N    95.20  132.80  102.20  101.93  101.56      .  .  0 "[    .    1    .    2]" 
        43 PHI   1 34 SER C 1 35 LEU N  1 35 LEU CA 1 35 LEU C   -83.20  -54.00  -64.67  -66.66  -62.71      .  .  0 "[    .    1    .    2]" 
        44 PSI   1 35 LEU N 1 35 LEU CA 1 35 LEU C  1 36 GLU N   -53.20   -7.60  -19.18   -1.13  -16.10   6.47  2  1 "[ +  .    1    .    2]" 
        45 PHI   1 35 LEU C 1 36 GLU N  1 36 GLU CA 1 36 GLU C   -87.60  -56.30  -84.46 -116.60  -75.58  29.00  2  1 "[ +  .    1    .    2]" 
        46 PSI   1 36 GLU N 1 36 GLU CA 1 36 GLU C  1 37 LYS N   -52.50  -32.10  -29.92    1.64  -27.20  33.74  2  1 "[ +  .    1    .    2]" 
        47 PHI   1 36 GLU C 1 37 LYS N  1 37 LYS CA 1 37 LYS C  -109.40  -77.20 -101.82 -132.99  -82.48  23.59  2  1 "[ +  .    1    .    2]" 
        48 PSI   1 37 LYS N 1 37 LYS CA 1 37 LYS C  1 38 GLY N   -28.70    4.20  -10.18  -13.82   -8.19      .  .  0 "[    .    1    .    2]" 
        49 PHI   1 37 LYS C 1 38 GLY N  1 38 GLY CA 1 38 GLY C    59.50   83.20   69.85   64.58   77.64      .  .  0 "[    .    1    .    2]" 
        50 PSI   1 38 GLY N 1 38 GLY CA 1 38 GLY C  1 39 GLU N    13.20   44.00   20.69   -3.73   24.49  16.93  2  1 "[ +  .    1    .    2]" 
        51 PHI   1 38 GLY C 1 39 GLU N  1 39 GLU CA 1 39 GLU C  -176.50  -70.50  -98.90  -72.77  -94.75      .  .  0 "[    .    1    .    2]" 
        52 PSI   1 39 GLU N 1 39 GLU CA 1 39 GLU C  1 40 ALA N   129.80  172.20  156.41  166.07  158.49      .  .  0 "[    .    1    .    2]" 
        53 PHI   1 39 GLU C 1 40 ALA N  1 40 ALA CA 1 40 ALA C  -165.20 -102.80 -146.91 -156.08 -140.32      .  .  0 "[    .    1    .    2]" 
        54 PSI   1 40 ALA N 1 40 ALA CA 1 40 ALA C  1 41 LEU N   120.60  165.50  116.00  154.07  128.15  12.22 15 13 "[* * .-** * ***+** *2]" 
        55 PHI   1 40 ALA C 1 41 LEU N  1 41 LEU CA 1 41 LEU C  -121.20  -89.30 -108.17 -145.88  -97.48  24.68  2  1 "[ +  .    1    .    2]" 
        56 PSI   1 41 LEU N 1 41 LEU CA 1 41 LEU C  1 42 VAL N   110.70  137.20  152.02  169.10  153.62  31.90  2 19 "[*+ ***************-*]" 
        57 PHI   1 41 LEU C 1 42 VAL N  1 42 VAL CA 1 42 VAL C  -117.60  -92.30 -134.94 -149.26 -132.18  31.66  2 20  [*+*********-********]  
        58 PSI   1 42 VAL N 1 42 VAL CA 1 42 VAL C  1 43 GLU N   103.30  135.80  163.53  172.13  166.57  36.33  2 20  [*+***-**************]  
        59 PHI   1 42 VAL C 1 43 GLU N  1 43 GLU CA 1 43 GLU C  -126.10  -68.50 -138.70 -143.15 -134.22  17.05  2 20  [*+**************-***]  
        60 PSI   1 43 GLU N 1 43 GLU CA 1 43 GLU C  1 44 GLY N   100.50  144.40   88.86   97.69   95.59  37.84  6 16 "[*  **+**** ****** -*]" 
        61 PHI   1 43 GLU C 1 44 GLY N  1 44 GLY CA 1 44 GLY C  -180.00  -39.70 -157.59 -169.74 -136.20      .  .  0 "[    .    1    .    2]" 
        62 PSI   1 44 GLY N 1 44 GLY CA 1 44 GLY C  1 45 THR N   127.00 -165.10 -174.91  174.01 -169.83      .  .  0 "[    .    1    .    2]" 
        63 PHI   1 45 THR C 1 46 ALA N  1 46 ALA CA 1 46 ALA C  -138.00  -29.80  -74.27  -56.03  -73.22      .  .  0 "[    .    1    .    2]" 
        64 PSI   1 46 ALA N 1 46 ALA CA 1 46 ALA C  1 47 ASP N    84.80 -161.20  169.95  173.35  172.70      .  .  0 "[    .    1    .    2]" 
        65 PHI   1 48 PRO C 1 49 LYS N  1 49 LYS CA 1 49 LYS C   -80.40  -54.90  -74.11  -88.18  -68.68   7.78  2  1 "[ +  .    1    .    2]" 
        66 PSI   1 49 LYS N 1 49 LYS CA 1 49 LYS C  1 50 ALA N   -46.00  -21.40  -25.39    3.32  -13.93  24.72  2  2 "[ + -.    1    .    2]" 
        67 PHI   1 49 LYS C 1 50 ALA N  1 50 ALA CA 1 50 ALA C   -78.40  -58.40  -77.25 -126.94  -57.86  48.54  2  7 "[ + *.    1*  **-*  2]" 
        68 PSI   1 50 ALA N 1 50 ALA CA 1 50 ALA C  1 51 LEU N   -46.10  -26.10  -32.45   -0.68  -31.32  25.42  2  1 "[ +  .    1    .    2]" 
        69 PHI   1 50 ALA C 1 51 LEU N  1 51 LEU CA 1 51 LEU C   -77.90  -57.90  -74.17 -119.13  -64.92  41.23  2  1 "[ +  .    1    .    2]" 
        70 PSI   1 51 LEU N 1 51 LEU CA 1 51 LEU C  1 52 VAL N   -54.00  -31.30  -48.80   -0.74  -43.66  30.56  2  3 "[ +  .    1-   .  * 2]" 
        71 PHI   1 51 LEU C 1 52 VAL N  1 52 VAL CA 1 52 VAL C   -73.30  -53.30  -70.59 -124.09  -65.25  50.79  2  1 "[ +  .    1    .    2]" 
        72 PSI   1 52 VAL N 1 52 VAL CA 1 52 VAL C  1 53 GLN N   -51.10  -31.10  -24.93  -35.72  -21.69   9.41  9 16 "[****** *+** *-.****2]" 
        73 PHI   1 52 VAL C 1 53 GLN N  1 53 GLN CA 1 53 GLN C   -76.40  -56.40  -80.02  -79.02  -80.78  11.12  6  9 "[  * *+ ***-   .**  2]" 
        74 PSI   1 53 GLN N 1 53 GLN CA 1 53 GLN C  1 54 ALA N   -51.00  -27.60  -31.83  -12.69  -28.94  14.91  2  1 "[ +  .    1    .    2]" 
        75 PHI   1 53 GLN C 1 54 ALA N  1 54 ALA CA 1 54 ALA C   -75.70  -55.70  -62.13  -84.87  -58.29   9.17  2  1 "[ +  .    1    .    2]" 
        76 PSI   1 54 ALA N 1 54 ALA CA 1 54 ALA C  1 55 VAL N   -49.80  -29.80  -48.80  -57.61  -44.33   7.81  2  5 "[ +  .    1 -  *  * *]" 
        77 PHI   1 54 ALA C 1 55 VAL N  1 55 VAL CA 1 55 VAL C   -75.50  -55.50  -71.42  -65.79  -68.63      .  .  0 "[    .    1    .    2]" 
        78 PSI   1 55 VAL N 1 55 VAL CA 1 55 VAL C  1 56 GLU N   -51.80  -31.80  -23.97  -24.56  -25.10  11.89 10 18 "[***-***  +**********]" 
        79 PHI   1 55 VAL C 1 56 GLU N  1 56 GLU CA 1 56 GLU C   -75.50  -55.50  -73.65  -79.40  -68.76   3.90  2  0 "[    .    1    .    2]" 
        80 PSI   1 56 GLU N 1 56 GLU CA 1 56 GLU C  1 57 GLU N   -46.40  -24.60  -24.24  -19.60  -20.40   6.51  2  2 "[ +- .    1    .    2]" 
        81 PHI   1 56 GLU C 1 57 GLU N  1 57 GLU CA 1 57 GLU C   -78.60  -58.60  -70.70  -85.21  -68.02   6.61  2  1 "[ +  .    1    .    2]" 
        82 PSI   1 57 GLU N 1 57 GLU CA 1 57 GLU C  1 58 GLU N   -35.30  -10.20  -24.20  -20.21  -22.19      .  .  0 "[    .    1    .    2]" 
        83 PHI   1 57 GLU C 1 58 GLU N  1 58 GLU CA 1 58 GLU C   -98.90  -71.10  -85.13  -84.04  -88.36      .  .  0 "[    .    1    .    2]" 
        84 PSI   1 58 GLU N 1 58 GLU CA 1 58 GLU C  1 59 GLY N   -16.60   11.80   -7.80   -4.48   -5.91      .  .  0 "[    .    1    .    2]" 
        85 PHI   1 58 GLU C 1 59 GLY N  1 59 GLY CA 1 59 GLY C    84.60  111.80   96.62   90.75  103.82      .  .  0 "[    .    1    .    2]" 
        86 PSI   1 59 GLY N 1 59 GLY CA 1 59 GLY C  1 60 TYR N    -3.80   16.20    8.76    0.16   15.38      .  .  0 "[    .    1    .    2]" 
        87 PHI   1 59 GLY C 1 60 TYR N  1 60 TYR CA 1 60 TYR C  -105.30  -62.20 -124.60 -135.22 -107.65  29.92 18 18 "[***-** * ********+**]" 
        88 PSI   1 60 TYR N 1 60 TYR CA 1 60 TYR C  1 61 LYS N   134.00  162.20  102.60   81.93  144.49  52.07  2 18 "[*+**. ****-*********]" 
        89 PHI   1 60 TYR C 1 61 LYS N  1 61 LYS CA 1 61 LYS C  -117.10  -64.60  -67.56  -62.40  -63.60   3.88  2  0 "[    .    1    .    2]" 
        90 PSI   1 61 LYS N 1 61 LYS CA 1 61 LYS C  1 62 ALA N   102.10  152.00  165.03  168.95  168.24  26.47  3 18 "[**+ ** *****-*******]" 
        91 PHI   1 61 LYS C 1 62 ALA N  1 62 ALA CA 1 62 ALA C  -155.50 -112.70 -154.67 -154.19 -155.10   7.16 19  4 "[    . *  1   -.   +*]" 
        92 PSI   1 62 ALA N 1 62 ALA CA 1 62 ALA C  1 63 GLU N   128.10  166.20  101.73   77.51  119.35  50.59  5 20  [****+****-**********]  
        93 PHI   1 62 ALA C 1 63 GLU N  1 63 GLU CA 1 63 GLU C  -164.40  -68.00  -69.78  -66.78  -67.80  14.39  6  2 "[    -+   1    .    2]" 
        94 PSI   1 63 GLU N 1 63 GLU CA 1 63 GLU C  1 64 VAL N   105.20  154.50  119.22  170.93  141.45  16.43  2  1 "[ +  .    1    .    2]" 
        95 PHI   1 63 GLU C 1 64 VAL N  1 64 VAL CA 1 64 VAL C  -120.60  -64.40  -60.29  -86.58  -57.45   6.95  5 14 "[* *-+* ****** .*** 2]" 
        96 PSI   1 64 VAL N 1 64 VAL CA 1 64 VAL C  1 65 LEU N   102.40  139.50  124.33 -178.86  139.67  41.64  2  1 "[ +  .    1    .    2]" 
        97 PHI   1 64 VAL C 1 65 LEU N  1 65 LEU CA 1 65 LEU C  -113.20  -70.60  -89.07 -136.71  -80.05  23.51  2  1 "[ +  .    1    .    2]" 
        98 PSI   1 65 LEU N 1 65 LEU CA 1 65 LEU C  1 66 ALA N   107.20  143.40   51.58    5.24   76.94 101.96  2 20  [*+***************-**]  
        99 OMEGA 1  1 MET O 1  1 MET C  1  2 LEU N  1  2 LEU H   179.90 -179.90  179.92  179.75  179.64   0.56 18  0 "[    .    1    .    2]" 
       100 OMEGA 1  2 LEU O 1  2 LEU C  1  3 LYS N  1  3 LYS H   179.90 -179.90  179.61 -179.96  179.84   0.70 14  0 "[    .    1    .    2]" 
       101 OMEGA 1  3 LYS O 1  3 LYS C  1  4 LEU N  1  4 LEU H   179.90 -179.90 -178.65  179.49 -177.27   2.63 14  0 "[    .    1    .    2]" 
       102 OMEGA 1  4 LEU O 1  4 LEU C  1  5 LYS N  1  5 LYS H   179.90 -179.90 -179.81  179.84 -179.27   0.63 17  0 "[    .    1    .    2]" 
       103 OMEGA 1  5 LYS O 1  5 LYS C  1  6 VAL N  1  6 VAL H   179.90 -179.90  179.86  179.16 -179.43   0.74  9  0 "[    .    1    .    2]" 
       104 OMEGA 1  6 VAL O 1  6 VAL C  1  7 GLU N  1  7 GLU H   179.90 -179.90  179.92 -179.79  179.92   0.80  3  0 "[    .    1    .    2]" 
       105 OMEGA 1  7 GLU O 1  7 GLU C  1  8 GLY N  1  8 GLY H   179.90 -179.90 -179.73  178.81 -179.20   1.09  3  0 "[    .    1    .    2]" 
       106 OMEGA 1  8 GLY O 1  8 GLY C  1  9 MET N  1  9 MET H   179.90 -179.90  179.61  179.65  179.61   2.65  3  0 "[    .    1    .    2]" 
       107 OMEGA 1  9 MET O 1  9 MET C  1 10 THR N  1 10 THR H   179.90 -179.90  179.67 -179.54 -179.97   1.39  3  0 "[    .    1    .    2]" 
       108 OMEGA 1 10 THR O 1 10 THR C  1 11 CYS N  1 11 CYS H   179.90 -179.90 -179.69 -179.53 -179.57   0.56 11  0 "[    .    1    .    2]" 
       109 OMEGA 1 11 CYS O 1 11 CYS C  1 12 ASN N  1 12 ASN H   179.90 -179.90 -179.80  179.59 -179.42   0.48  5  0 "[    .    1    .    2]" 
       110 OMEGA 1 12 ASN O 1 12 ASN C  1 13 HIS N  1 13 HIS H   179.90 -179.90 -180.00  179.50 -178.19   1.71  3  0 "[    .    1    .    2]" 
       111 OMEGA 1 13 HIS O 1 13 HIS C  1 14 CYS N  1 14 CYS H   179.90 -179.90 -179.65 -179.50 -179.55   0.46 10  0 "[    .    1    .    2]" 
       112 OMEGA 1 14 CYS O 1 14 CYS C  1 15 VAL N  1 15 VAL H   179.90 -179.90 -179.96  179.22 -178.97   0.93 20  0 "[    .    1    .    2]" 
       113 OMEGA 1 15 VAL O 1 15 VAL C  1 16 MET N  1 16 MET H   179.90 -179.90 -179.86 -179.76 -179.84   0.49 17  0 "[    .    1    .    2]" 
       114 OMEGA 1 16 MET O 1 16 MET C  1 17 ALA N  1 17 ALA H   179.90 -179.90 -179.96  180.00  179.89   0.35  3  0 "[    .    1    .    2]" 
       115 OMEGA 1 17 ALA O 1 17 ALA C  1 18 VAL N  1 18 VAL H   179.90 -179.90  179.92  179.92  179.85   0.60  3  0 "[    .    1    .    2]" 
       116 OMEGA 1 18 VAL O 1 18 VAL C  1 19 THR N  1 19 THR H   179.90 -179.90 -179.64  179.71 -179.22   0.68 16  0 "[    .    1    .    2]" 
       117 OMEGA 1 19 THR O 1 19 THR C  1 20 LYS N  1 20 LYS H   179.90 -179.90 -179.82  179.74 -179.48   0.42  3  0 "[    .    1    .    2]" 
       118 OMEGA 1 20 LYS O 1 20 LYS C  1 21 ALA N  1 21 ALA H   179.90 -179.90 -179.80  179.86  179.73   0.40  7  0 "[    .    1    .    2]" 
       119 OMEGA 1 21 ALA O 1 21 ALA C  1 22 LEU N  1 22 LEU H   179.90 -179.90 -179.96 -179.74 -179.78   1.03  4  0 "[    .    1    .    2]" 
       120 OMEGA 1 22 LEU O 1 22 LEU C  1 23 LYS N  1 23 LYS H   179.90 -179.90  179.61  179.14  179.88   0.76  4  0 "[    .    1    .    2]" 
       121 OMEGA 1 23 LYS O 1 23 LYS C  1 24 LYS N  1 24 LYS H   179.90 -179.90  179.86 -179.86  179.95   0.60 14  0 "[    .    1    .    2]" 
       122 OMEGA 1 24 LYS O 1 24 LYS C  1 25 VAL N  1 25 VAL H   179.90 -179.90 -179.78  179.85 -179.44   0.46 13  0 "[    .    1    .    2]" 
       123 OMEGA 1 25 VAL O 1 25 VAL C  1 26 PRO N  1 26 PRO CD  179.90 -179.90  178.59  178.09  179.09   1.81 19  0 "[    .    1    .    2]" 
       124 OMEGA 1 26 PRO O 1 26 PRO C  1 27 GLY N  1 27 GLY H   179.90 -179.90 -179.54 -179.46 -179.53   0.69 12  0 "[    .    1    .    2]" 
       125 OMEGA 1 27 GLY O 1 27 GLY C  1 28 VAL N  1 28 VAL H   179.90 -179.90  179.74  179.69  179.59   0.73 18  0 "[    .    1    .    2]" 
       126 OMEGA 1 28 VAL O 1 28 VAL C  1 29 GLU N  1 29 GLU H   179.90 -179.90  179.72 -179.96  179.93   0.99 10  0 "[    .    1    .    2]" 
       127 OMEGA 1 29 GLU O 1 29 GLU C  1 30 LYS N  1 30 LYS H   179.90 -179.90 -179.48 -179.22 -179.30   0.71  2  0 "[    .    1    .    2]" 
       128 OMEGA 1 30 LYS O 1 30 LYS C  1 31 VAL N  1 31 VAL H   179.90 -179.90 -179.69 -179.33 -179.40   0.68 20  0 "[    .    1    .    2]" 
       129 OMEGA 1 31 VAL O 1 31 VAL C  1 32 GLU N  1 32 GLU H   179.90 -179.90 -179.70 -179.53 -179.65   0.70 10  0 "[    .    1    .    2]" 
       130 OMEGA 1 32 GLU O 1 32 GLU C  1 33 VAL N  1 33 VAL H   179.90 -179.90  179.97 -179.51 -179.70   0.57 17  0 "[    .    1    .    2]" 
       131 OMEGA 1 33 VAL O 1 33 VAL C  1 34 SER N  1 34 SER H   179.90 -179.90 -179.91  179.56 -179.51   0.39  7  0 "[    .    1    .    2]" 
       132 OMEGA 1 34 SER O 1 34 SER C  1 35 LEU N  1 35 LEU H   179.90 -179.90  179.61  179.89  179.77   0.59  8  0 "[    .    1    .    2]" 
       133 OMEGA 1 35 LEU O 1 35 LEU C  1 36 GLU N  1 36 GLU H   179.90 -179.90  179.71  179.83  179.80   0.59 20  0 "[    .    1    .    2]" 
       134 OMEGA 1 36 GLU O 1 36 GLU C  1 37 LYS N  1 37 LYS H   179.90 -179.90  179.97 -179.70 -179.83   0.34  5  0 "[    .    1    .    2]" 
       135 OMEGA 1 37 LYS O 1 37 LYS C  1 38 GLY N  1 38 GLY H   179.90 -179.90  179.97  179.51 -179.59   0.39  9  0 "[    .    1    .    2]" 
       136 OMEGA 1 38 GLY O 1 38 GLY C  1 39 GLU N  1 39 GLU H   179.90 -179.90 -179.64  179.80 -179.25   0.65 11  0 "[    .    1    .    2]" 
       137 OMEGA 1 39 GLU O 1 39 GLU C  1 40 ALA N  1 40 ALA H   179.90 -179.90 -179.96 -179.54 -179.66   1.03  9  0 "[    .    1    .    2]" 
       138 OMEGA 1 40 ALA O 1 40 ALA C  1 41 LEU N  1 41 LEU H   179.90 -179.90 -179.99 -179.82 -179.96   0.40  2  0 "[    .    1    .    2]" 
       139 OMEGA 1 41 LEU O 1 41 LEU C  1 42 VAL N  1 42 VAL H   179.90 -179.90 -179.53 -179.25 -179.39   0.76  2  0 "[    .    1    .    2]" 
       140 OMEGA 1 42 VAL O 1 42 VAL C  1 43 GLU N  1 43 GLU H   179.90 -179.90 -179.83 -179.63 -179.64   0.55  7  0 "[    .    1    .    2]" 
       141 OMEGA 1 43 GLU O 1 43 GLU C  1 44 GLY N  1 44 GLY H   179.90 -179.90  179.41  179.79  179.65   0.87  4  0 "[    .    1    .    2]" 
       142 OMEGA 1 44 GLY O 1 44 GLY C  1 45 THR N  1 45 THR H   179.90 -179.90  179.82 -179.74 -179.91   0.57 12  0 "[    .    1    .    2]" 
       143 OMEGA 1 45 THR O 1 45 THR C  1 46 ALA N  1 46 ALA H   179.90 -179.90 -179.86  179.72 -179.57   0.33  3  0 "[    .    1    .    2]" 
       144 OMEGA 1 46 ALA O 1 46 ALA C  1 47 ASP N  1 47 ASP H   179.90 -179.90 -179.55 -179.49 -179.52   0.70  6  0 "[    .    1    .    2]" 
       145 OMEGA 1 47 ASP O 1 47 ASP C  1 48 PRO N  1 48 PRO CD  179.90 -179.90  178.78  178.93  178.86   2.25  9  0 "[    .    1    .    2]" 
       146 OMEGA 1 48 PRO O 1 48 PRO C  1 49 LYS N  1 49 LYS H   179.90 -179.90 -179.87 -179.98  179.94   0.44  6  0 "[    .    1    .    2]" 
       147 OMEGA 1 49 LYS O 1 49 LYS C  1 50 ALA N  1 50 ALA H   179.90 -179.90 -179.71  179.85 -179.43   0.47 14  0 "[    .    1    .    2]" 
       148 OMEGA 1 50 ALA O 1 50 ALA C  1 51 LEU N  1 51 LEU H   179.90 -179.90  179.87 -179.90 -179.97   0.34 17  0 "[    .    1    .    2]" 
       149 OMEGA 1 51 LEU O 1 51 LEU C  1 52 VAL N  1 52 VAL H   179.90 -179.90  179.98  179.87  179.79   0.39 10  0 "[    .    1    .    2]" 
       150 OMEGA 1 52 VAL O 1 52 VAL C  1 53 GLN N  1 53 GLN H   179.90 -179.90 -179.75 -179.56 -179.65   0.59 17  0 "[    .    1    .    2]" 
       151 OMEGA 1 53 GLN O 1 53 GLN C  1 54 ALA N  1 54 ALA H   179.90 -179.90  179.97 -179.73 -179.85   0.28  6  0 "[    .    1    .    2]" 
       152 OMEGA 1 54 ALA O 1 54 ALA C  1 55 VAL N  1 55 VAL H   179.90 -179.90  179.74  179.62  179.51   0.54  1  0 "[    .    1    .    2]" 
       153 OMEGA 1 55 VAL O 1 55 VAL C  1 56 GLU N  1 56 GLU H   179.90 -179.90 -179.61  179.72 -179.19   0.71  8  0 "[    .    1    .    2]" 
       154 OMEGA 1 56 GLU O 1 56 GLU C  1 57 GLU N  1 57 GLU H   179.90 -179.90 -179.67 -179.11 -179.38   0.79  2  0 "[    .    1    .    2]" 
       155 OMEGA 1 57 GLU O 1 57 GLU C  1 58 GLU N  1 58 GLU H   179.90 -179.90 -179.66  179.75 -179.31   0.59 13  0 "[    .    1    .    2]" 
       156 OMEGA 1 58 GLU O 1 58 GLU C  1 59 GLY N  1 59 GLY H   179.90 -179.90  180.00 -179.91  179.81   0.80 13  0 "[    .    1    .    2]" 
       157 OMEGA 1 59 GLY O 1 59 GLY C  1 60 TYR N  1 60 TYR H   179.90 -179.90 -179.78 -179.53 -179.66   0.58 13  0 "[    .    1    .    2]" 
       158 OMEGA 1 60 TYR O 1 60 TYR C  1 61 LYS N  1 61 LYS H   179.90 -179.90 -179.66  179.59 -179.09   0.81  6  0 "[    .    1    .    2]" 
       159 OMEGA 1 61 LYS O 1 61 LYS C  1 62 ALA N  1 62 ALA H   179.90 -179.90 -179.52 -179.60 -179.66   0.80  4  0 "[    .    1    .    2]" 
       160 OMEGA 1 62 ALA O 1 62 ALA C  1 63 GLU N  1 63 GLU H   179.90 -179.90 -179.88  179.93  179.89   1.08 17  0 "[    .    1    .    2]" 
       161 OMEGA 1 63 GLU O 1 63 GLU C  1 64 VAL N  1 64 VAL H   179.90 -179.90  179.31 -179.78  179.83   1.05  5  0 "[    .    1    .    2]" 
       162 OMEGA 1 64 VAL O 1 64 VAL C  1 65 LEU N  1 65 LEU H   179.90 -179.90  179.62  179.54  179.47   0.84 11  0 "[    .    1    .    2]" 
       163 OMEGA 1 65 LEU O 1 65 LEU C  1 66 ALA N  1 66 ALA H   179.90 -179.90  179.95  179.82  179.69   0.84 10  0 "[    .    1    .    2]" 
    stop_

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