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
485286 2k25 15689 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2k25


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              108
    _TA_constraint_stats_list.Viol_count                    1711
    _TA_constraint_stats_list.Viol_total                    409405.59
    _TA_constraint_stats_list.Viol_max                      152.50
    _TA_constraint_stats_list.Viol_rms                      16.89
    _TA_constraint_stats_list.Viol_average_all_restraints   9.48
    _TA_constraint_stats_list.Viol_average_violations_only  11.96
    _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  2 SER C 1  3 LEU N  1  3 LEU CA 1  3 LEU C  -99.29  -73.38  -98.76 -100.95 -128.39  33.93  1 17 "[+* ****  **-********]" 
         2 PSI 1  3 LEU N 1  3 LEU CA 1  3 LEU C  1  4 VAL N  134.65  147.60  150.06  128.78  159.43  11.83 15 13 "[****** * * - *+**  2]" 
         3 PHI 1  3 LEU C 1  4 VAL N  1  4 VAL CA 1  4 VAL C -119.15  -94.51 -110.12 -123.70  -75.50  19.01 11  3 "[  * .  - 1+   .    2]" 
         4 PSI 1  4 VAL N 1  4 VAL CA 1  4 VAL C  1  5 PRO N  122.32  148.84  145.69  154.38  133.33   7.52  9 11 "[ * ** * +1-***. ** 2]" 
         5 PHI 1  8 SER C 1  9 MET N  1  9 MET CA 1  9 MET C -132.01 -103.15 -109.61 -132.48 -103.38   0.47 18  0 "[    .    1    .    2]" 
         6 PSI 1  9 MET N 1  9 MET CA 1  9 MET C  1 10 GLN N  137.65  153.63  132.78  133.39  132.82   7.07 18 11 "[  **.  - **** .**+ *]" 
         7 PHI 1  9 MET C 1 10 GLN N  1 10 GLN CA 1 10 GLN C -126.18 -105.35 -129.89 -129.46 -130.13   5.76 11  5 "[*  *.    1+   .  * -]" 
         8 PSI 1 10 GLN N 1 10 GLN CA 1 10 GLN C  1 11 ILE N  138.26  152.10  143.21  143.06  142.04      .  .  0 "[    .    1    .    2]" 
         9 PHI 1 10 GLN C 1 11 ILE N  1 11 ILE CA 1 11 ILE C -144.49 -128.88 -147.49 -148.81 -143.86   4.31 12  0 "[    .    1    .    2]" 
        10 PSI 1 11 ILE N 1 11 ILE CA 1 11 ILE C  1 12 PHE N  148.30  162.60  172.69  167.17  176.72  14.12 18 19 "[**************** +-*]" 
        11 PHI 1 11 ILE C 1 12 PHE N  1 12 PHE CA 1 12 PHE C -128.30 -115.97 -105.79 -105.46 -105.72  12.46 12 20  [***********+******-*]  
        12 PSI 1 12 PHE N 1 12 PHE CA 1 12 PHE C  1 13 VAL N  132.57  146.90  122.25  124.52  123.85  14.60 17 20  [*-**************+***]  
        13 PHI 1 12 PHE C 1 13 VAL N  1 13 VAL CA 1 13 VAL C -125.25 -114.17 -133.18 -130.21 -130.91  11.91 17 18 "[* **-*** *******+***]" 
        14 PSI 1 13 VAL N 1 13 VAL CA 1 13 VAL C  1 14 LYS N  125.50  138.04  130.94  135.29  133.64   6.13 17  1 "[    .    1    . +  2]" 
        15 PHI 1 13 VAL C 1 14 LYS N  1 14 LYS CA 1 14 LYS C -115.59 -100.21 -117.51 -119.97 -120.02   5.68  8  1 "[    .  + 1    .    2]" 
        16 PSI 1 14 LYS N 1 14 LYS CA 1 14 LYS C  1 15 THR N  127.59  142.75  123.63  117.16  143.80  10.43 15 13 "[ ***-* **1* **+*   *]" 
        17 PHI 1 14 LYS C 1 15 THR N  1 15 THR CA 1 15 THR C -115.42  -85.88  -79.37  -79.62  -82.78  12.63  6 16 "[ ****+ -*1* ********]" 
        18 PSI 1 15 THR N 1 15 THR CA 1 15 THR C  1 16 LEU N  155.52  166.98 -177.87  174.48 -174.47  18.55 19 20  [***************-**+*]  
        19 PHI 1 15 THR C 1 16 LEU N  1 16 LEU CA 1 16 LEU C  -72.05  -62.69  -75.95  -77.94  -70.47   5.89 16  5 "[ *- *    1 *  .+   2]" 
        20 PSI 1 16 LEU N 1 16 LEU CA 1 16 LEU C  1 17 THR N  -29.73  -13.27  -28.29  -28.60  -32.14   8.21 16  1 "[    .    1    .+   2]" 
        21 PHI 1 16 LEU C 1 17 THR N  1 17 THR CA 1 17 THR C -102.38  -86.35  -87.24 -109.29  -80.50   6.92 16  3 "[    .-   1 *  .+   2]" 
        22 PSI 1 17 THR N 1 17 THR CA 1 17 THR C  1 18 GLY N  -10.02    3.58  -29.67  -31.65  -32.48  27.55 17 20  [*******-********+***]  
        23 PHI 1 17 THR C 1 18 GLY N  1 18 GLY CA 1 18 GLY C   80.57   92.96  127.53  109.50  140.57  47.61  5 20  [****+**-************]  
        24 PSI 1 18 GLY N 1 18 GLY CA 1 18 GLY C  1 19 LYS N   -2.71    9.11   -2.63   -9.62  -10.48   8.35  5 11 "[**  +  - 1* *****  *]" 
        25 PHI 1 18 GLY C 1 19 LYS N  1 19 LYS CA 1 19 LYS C  -99.03  -73.18  -66.81  -81.06  -61.58  11.59  1 14 "[+** *** *1*  **** -*]" 
        26 PSI 1 19 LYS N 1 19 LYS CA 1 19 LYS C  1 20 THR N  122.54  141.71  149.21  149.60  148.78   9.48 16 17 "[*** * **** ***-+****]" 
        27 PHI 1 19 LYS C 1 20 THR N  1 20 THR CA 1 20 THR C -111.92  -96.14 -118.24 -119.82 -120.06   9.19  5 14 "[*** +  **1  -*******]" 
        28 PSI 1 20 THR N 1 20 THR CA 1 20 THR C  1 21 ILE N  125.89  138.49  131.27  125.53  136.81   0.37 13  0 "[    .    1    .    2]" 
        29 PHI 1 20 THR C 1 21 ILE N  1 21 ILE CA 1 21 ILE C -127.56 -112.38 -132.48 -132.88 -132.90   6.09 15 16 "[****.*** **** +***-2]" 
        30 PSI 1 21 ILE N 1 21 ILE CA 1 21 ILE C  1 22 THR N  118.29  128.18  136.33  139.15  138.31  10.97  2 19  [*+********-********2]  
        31 PHI 1 21 ILE C 1 22 THR N  1 22 THR CA 1 22 THR C -111.27  -96.49  -78.98  -76.33  -77.64  20.40  2 20  [*+***-**************]  
        32 PSI 1 22 THR N 1 22 THR CA 1 22 THR C  1 23 LEU N  120.44  130.04  123.78  138.58  130.41   8.92  2  2 "[ +  .   -1    .    2]" 
        33 PHI 1 22 THR C 1 23 LEU N  1 23 LEU CA 1 23 LEU C -130.80 -117.89 -117.78 -123.66 -125.82   8.84 15  4 "[    - *  1 *  +    2]" 
        34 PSI 1 23 LEU N 1 23 LEU CA 1 23 LEU C  1 24 GLU N  143.52  152.36  155.88  138.92  160.46   8.10 17 15 "[*** -******  *.*+ **]" 
        35 PHI 1 24 GLU C 1 25 VAL N  1 25 VAL CA 1 25 VAL C -140.59 -132.59 -138.14 -130.06 -136.14   6.15 14  7 "[  - . *  **  +. *  *]" 
        36 PSI 1 25 VAL N 1 25 VAL CA 1 25 VAL C  1 26 GLU N  151.52  164.99  147.76  147.85  145.93   9.22 13 10 "[* **.*  -*  + .* * *]" 
        37 PHI 1 25 VAL C 1 26 GLU N  1 26 GLU CA 1 26 GLU C -126.20 -100.21 -172.08  177.71 -159.21  56.08 17 20  [*****-**********+***]  
        38 PSI 1 26 GLU N 1 26 GLU CA 1 26 GLU C  1 27 PRO N  131.02  160.65  147.12  129.15  159.27   1.87  7  0 "[    .    1    .    2]" 
        39 PHI 1 27 PRO C 1 28 SER N  1 28 SER CA 1 28 SER C -104.66  -88.64 -105.84 -101.96 -103.70   5.20 13  1 "[    .    1  + .    2]" 
        40 PSI 1 28 SER N 1 28 SER CA 1 28 SER C  1 29 ASP N   -7.60   -1.38  -10.15  -15.35    6.30   7.75 13 15 "[* **.*-* ** +*.*****]" 
        41 PHI 1 30 THR C 1 31 ILE N  1 31 ILE CA 1 31 ILE C  -65.55  -60.37  -53.74  -59.38  -51.33   9.04 11 16 "[*** -*** *+** **** *]" 
        42 PSI 1 31 ILE N 1 31 ILE CA 1 31 ILE C  1 32 GLU N  -39.30  -29.90  -26.44  -27.71  -28.63   7.57 10  6 "[  *-*   *+   *.    2]" 
        43 PHI 1 31 ILE C 1 32 GLU N  1 32 GLU CA 1 32 GLU C  -64.07  -58.19  -52.87  -51.10  -51.27   8.17 11 17 "[** ******1+-**** ***]" 
        44 PSI 1 32 GLU N 1 32 GLU CA 1 32 GLU C  1 33 ASN N  -45.35  -40.49  -51.76  -55.21  -36.90   9.86  5 16 "[** *+** -1****** ***]" 
        45 PHI 1 32 GLU C 1 33 ASN N  1 33 ASN CA 1 33 ASN C  -71.99  -64.38  -77.34  -78.98  -79.05   9.17  3 17 "[**+-****** ***** * *]" 
        46 PSI 1 33 ASN N 1 33 ASN CA 1 33 ASN C  1 34 VAL N  -43.08  -37.80  -37.09  -50.52  -28.70   9.10 20 11 "[  **.* ****  *. - *+]" 
        47 PHI 1 33 ASN C 1 34 VAL N  1 34 VAL CA 1 34 VAL C  -65.28  -61.13  -57.16  -65.75  -51.55   9.57 10 11 "[*** * -  + ** ** * 2]" 
        48 PSI 1 34 VAL N 1 34 VAL CA 1 34 VAL C  1 35 LYS N  -46.42  -41.62  -32.63  -32.85  -32.96  13.08 10 20  [*********+*******-**]  
        49 PHI 1 34 VAL C 1 35 LYS N  1 35 LYS CA 1 35 LYS C  -64.75  -58.89  -52.03  -50.90  -51.56   8.65 10 20  [*********+****-*****]  
        50 PSI 1 35 LYS N 1 35 LYS CA 1 35 LYS C  1 36 ALA N  -41.18  -35.64  -28.35  -27.82  -28.04   8.95 13 18 "[******- ****+***** *]" 
        51 PHI 1 35 LYS C 1 36 ALA N  1 36 ALA CA 1 36 ALA C  -68.78  -65.30  -68.69  -69.16  -71.43   8.23  8  5 "[  * .  + **  -.    2]" 
        52 PSI 1 36 ALA N 1 36 ALA CA 1 36 ALA C  1 37 LYS N  -43.67  -33.06  -37.44  -48.56  -31.07   4.90 11  0 "[    .    1    .    2]" 
        53 PHI 1 36 ALA C 1 37 LYS N  1 37 LYS CA 1 37 LYS C  -69.72  -63.44  -69.07  -58.14  -62.67   7.76  8 11 "[*- *. *+ 1 ***.  ***]" 
        54 PSI 1 37 LYS N 1 37 LYS CA 1 37 LYS C  1 38 ILE N  -44.18  -36.82  -49.82  -53.76  -39.97   9.58  4 17 "[** +.***-******** **]" 
        55 PHI 1 37 LYS C 1 38 ILE N  1 38 ILE CA 1 38 ILE C  -71.30  -63.16  -67.57  -79.25  -59.28   7.95 18  1 "[    .    1    .  + 2]" 
        56 PSI 1 38 ILE N 1 38 ILE CA 1 38 ILE C  1 39 GLN N  -43.35  -36.47  -34.23  -31.48  -31.93   7.54  5  9 "[ ** +   *1*** .- * 2]" 
        57 PHI 1 38 ILE C 1 39 GLN N  1 39 GLN CA 1 39 GLN C  -64.93  -60.26  -56.86  -57.91  -61.43  10.05 13 11 "[   ** * *- *+ * ** *]" 
        58 PSI 1 39 GLN N 1 39 GLN CA 1 39 GLN C  1 40 ASP N  -44.34  -38.48  -33.25  -41.76  -28.31  10.17  8 12 "[*** .**+ * * *.* -*2]" 
        59 PHI 1 39 GLN C 1 40 ASP N  1 40 ASP CA 1 40 ASP C  -64.57  -58.74  -76.11  -75.78  -76.16  16.17 18 19 "[******* *-*******+**]" 
        60 PSI 1 40 ASP N 1 40 ASP CA 1 40 ASP C  1 41 LYS N  -40.77  -36.31  -26.31  -27.61  -25.01  11.30  8 20  [*******+***********-]  
        61 PHI 1 40 ASP C 1 41 LYS N  1 41 LYS CA 1 41 LYS C  -84.21  -71.61  -74.75  -76.30  -77.27   0.73 20  0 "[    .    1    .    2]" 
        62 PSI 1 41 LYS N 1 41 LYS CA 1 41 LYS C  1 42 GLU N  -37.19  -23.99  -55.37  -57.91  -53.98  20.71 20 20  [*****************-*+]  
        63 PHI 1 41 LYS C 1 42 GLU N  1 42 GLU CA 1 42 GLU C -115.94 -100.06 -126.05 -127.54 -124.40  11.60 20 20  [*****************-*+]  
        64 PSI 1 42 GLU N 1 42 GLU CA 1 42 GLU C  1 43 GLY N  -18.82   -6.61  -35.57  -34.90  -35.50  18.64  9 20  [********+****-******]  
        65 PHI 1 43 GLY C 1 44 ILE N  1 44 ILE CA 1 44 ILE C -114.40  -89.18  -77.41  -71.52  -71.59  19.18  8 16 "[*** . *+***** -*****]" 
        66 PSI 1 44 ILE N 1 44 ILE CA 1 44 ILE C  1 45 PRO N  119.44  141.30  129.61  102.74  149.02  16.70  4  6 "[   +**  -1   *.  * 2]" 
        67 PHI 1 46 PRO C 1 47 ASP N  1 47 ASP CA 1 47 ASP C  -75.22  -61.92  -64.41  -81.58  -57.64   6.36  9  2 "[    .   +1   -.    2]" 
        68 PSI 1 47 ASP N 1 47 ASP CA 1 47 ASP C  1 48 GLN N  -27.01  -16.67  -31.57  -35.01  -37.24  13.11 17 12 "[*   .**- **** * +**2]" 
        69 PHI 1 49 GLN C 1 50 ARG N  1 50 ARG CA 1 50 ARG C -114.16  -88.84 -100.61  -75.98  -87.44  15.81  2  3 "[ + -.    1 *  .    2]" 
        70 PSI 1 50 ARG N 1 50 ARG CA 1 50 ARG C  1 51 LEU N  111.40  128.63  157.46  139.19  137.16  57.45  5 18 "[-***+*********** * *]" 
        71 PHI 1 50 ARG C 1 51 LEU N  1 51 LEU CA 1 51 LEU C -123.95 -106.54 -113.04 -128.27  -93.47  13.08  9  6 "[-   .   +1   *. * **]" 
        72 PSI 1 51 LEU N 1 51 LEU CA 1 51 LEU C  1 52 ILE N  135.68  150.85  130.14  124.12  118.79  17.68  1 11 "[+*  .  *** * *- * **]" 
        73 PHI 1 51 LEU C 1 52 ILE N  1 52 ILE CA 1 52 ILE C -128.13 -117.96 -128.29 -133.27 -115.03   5.13 13  2 "[ -  .    1  + .    2]" 
        74 PSI 1 52 ILE N 1 52 ILE CA 1 52 ILE C  1 53 PHE N  132.61  142.47  117.90  117.94  117.82  17.23  3 20  [**+**************-**]  
        75 PHI 1 52 ILE C 1 53 PHE N  1 53 PHE CA 1 53 PHE C -134.81 -117.99 -125.77 -130.70 -116.49   1.50 14  0 "[    .    1    .    2]" 
        76 PSI 1 53 PHE N 1 53 PHE CA 1 53 PHE C  1 54 ALA N  119.44  129.40  117.56  110.59  126.44   8.85  4  7 "[  *+* *  1  - *  * 2]" 
        77 PHI 1 53 PHE C 1 54 ALA N  1 54 ALA CA 1 54 ALA C   49.67   56.03   54.99   50.78   59.59   3.55 16  0 "[    .    1    .    2]" 
        78 PSI 1 54 ALA N 1 54 ALA CA 1 54 ALA C  1 55 GLY N   40.90   47.69   31.57   32.19   31.76  11.26 12 20  [***********+*****-**]  
        79 PHI 1 55 GLY C 1 56 LYS N  1 56 LYS CA 1 56 LYS C -128.68 -106.70 -103.42  -98.38  -98.56   8.76 13 19 "[** *********+*****-*]" 
        80 PSI 1 56 LYS N 1 56 LYS CA 1 56 LYS C  1 57 GLN N  132.25  147.25  127.06  124.57  124.48   7.77  1 15 "[+* -.****** **** * *]" 
        81 PHI 1 56 LYS C 1 57 GLN N  1 57 GLN CA 1 57 GLN C  -97.13  -78.05  -82.10  -80.24  -81.14   3.96  8  0 "[    .    1    .    2]" 
        82 PSI 1 57 GLN N 1 57 GLN CA 1 57 GLN C  1 58 LEU N  117.64  138.71  152.20  158.67  157.41  36.89  8 17 "[** ****+*****-*  ***]" 
        83 PHI 1 62 ARG C 1 63 THR N  1 63 THR CA 1 63 THR C -118.09  -89.29  -78.54  -88.04  -76.61  12.68 13 19 "[****** *****+******-]" 
        84 PSI 1 63 THR N 1 63 THR CA 1 63 THR C  1 64 LEU N  162.37  171.21  164.16  157.16  178.96   7.74 16  3 "[    .    1-   *+   2]" 
        85 PHI 1 63 THR C 1 64 LEU N  1 64 LEU CA 1 64 LEU C  -64.94  -58.51  -65.01  -74.65  -51.22   9.71 11 12 "[  * .*****+ **.-*  *]" 
        86 PSI 1 64 LEU N 1 64 LEU CA 1 64 LEU C  1 65 SER N  -39.93  -30.73  -37.46  -47.51  -25.87   7.58 13  1 "[    .    1  + .    2]" 
        87 PHI 1 64 LEU C 1 65 SER N  1 65 SER CA 1 65 SER C  -65.76  -59.01  -70.05  -72.65  -73.18   8.02  1 13 "[+** **-* *****.  * 2]" 
        88 PSI 1 65 SER N 1 65 SER CA 1 65 SER C  1 66 GLU N  -43.42  -38.53  -36.02  -38.23  -40.53   8.60 12  9 "[    . * *- +**.*** 2]" 
        89 PHI 1 65 SER C 1 66 GLU N  1 66 GLU CA 1 66 GLU C  -69.71  -62.59  -73.24  -75.48  -58.24   5.77  3 15 "[**+*******-  ** * *2]" 
        90 PSI 1 66 GLU N 1 66 GLU CA 1 66 GLU C  1 67 TYR N  -41.53  -32.67  -37.72  -41.00  -41.29   6.07 20  1 "[    .    1    .    +]" 
        91 PHI 1 68 ASN C 1 69 ILE N  1 69 ILE CA 1 69 ILE C -106.76  -78.86  -99.92 -101.48 -105.83   7.34  5  2 "[    +    1    .    -]" 
        92 PSI 1 69 ILE N 1 69 ILE CA 1 69 ILE C  1 70 GLN N  105.46  129.09  158.52  160.26  160.26  32.08 13 20  [*******-****+*******]  
        93 PHI 1 69 ILE C 1 70 GLN N  1 70 GLN CA 1 70 GLN C -120.93  -98.93 -100.24 -133.23  -74.00  24.93 13  8 "[ *  .  **1 -+ .** *2]" 
        94 PSI 1 70 GLN N 1 70 GLN CA 1 70 GLN C  1 71 LYS N  137.98  163.43   60.95  108.24   93.53 119.24 13 20  [***********-+*******]  
        95 PHI 1 73 SER C 1 74 THR N  1 74 THR CA 1 74 THR C -124.49 -107.39 -135.66 -136.59 -136.75  12.85 12 20  [********-**+********]  
        96 PSI 1 74 THR N 1 74 THR CA 1 74 THR C  1 75 LEU N  118.06  130.07  109.20  109.50  109.04  11.16  7 20  [******+*****-*******]  
        97 PHI 1 74 THR C 1 75 LEU N  1 75 LEU CA 1 75 LEU C -118.36 -111.53 -131.98 -132.21 -132.77  15.60  9 20  [****-***+***********]  
        98 PSI 1 75 LEU N 1 75 LEU CA 1 75 LEU C  1 76 HIS N  132.07  145.79  139.64  123.92  155.07   9.28 14  4 "[    . -  1   +.  * *]" 
        99 PHI 1 75 LEU C 1 76 HIS N  1 76 HIS CA 1 76 HIS C -123.32 -102.12 -127.05 -119.75 -120.37  12.56  4 11 "[   +** * *- ****   *]" 
       100 PSI 1 76 HIS N 1 76 HIS CA 1 76 HIS C  1 77 LEU N  129.92  144.42  108.09  105.57  112.57  24.35 12 20  [***********+-*******]  
       101 PHI 1 76 HIS C 1 77 LEU N  1 77 LEU CA 1 77 LEU C -118.37 -100.71 -130.21 -133.52 -127.86  15.14 14 20  [**-**********+******]  
       102 PSI 1 77 LEU N 1 77 LEU CA 1 77 LEU C  1 78 VAL N  121.13  129.51   95.78   91.07   99.76  30.06  6 20  [*****+*********-****]  
       103 PHI 1 77 LEU C 1 78 VAL N  1 78 VAL CA 1 78 VAL C -127.97 -117.90 -149.07 -151.25 -146.40  23.27  9 20  [********+*********-*]  
       104 PSI 1 78 VAL N 1 78 VAL CA 1 78 VAL C  1 79 LEU N  129.85  143.87  133.21  133.02  131.03   8.54  4  3 "[   +.*   1 -  .    2]" 
       105 PHI 1 78 VAL C 1 79 LEU N  1 79 LEU CA 1 79 LEU C -113.46  -97.43 -112.60 -116.24  -90.27   7.16 12  1 "[    .    1 +  .    2]" 
       106 PSI 1 79 LEU N 1 79 LEU CA 1 79 LEU C  1 80 ARG N  124.71  136.49  114.08  112.35  111.91  14.92 16 18 "[***** ***-* ***+****]" 
       107 PHI 1 80 ARG C 1 81 LEU N  1 81 LEU CA 1 81 LEU C  -78.94  -63.96  -54.85  -50.80  -50.98  14.19 19 18 "[***** *****- *****+*]" 
       108 PSI 1 81 LEU N 1 81 LEU CA 1 81 LEU C  1 82 ARG N  -43.13  -20.59  166.33  169.03  168.77 152.50  8 20  [*******+****-*******]  
    stop_

save_



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