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
486656 2rq9 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2rq9


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              116
    _TA_constraint_stats_list.Viol_count                    1647
    _TA_constraint_stats_list.Viol_total                    1750795.50
    _TA_constraint_stats_list.Viol_max                      165.00
    _TA_constraint_stats_list.Viol_rms                      49.06
    _TA_constraint_stats_list.Viol_average_all_restraints   37.73
    _TA_constraint_stats_list.Viol_average_violations_only  53.15
    _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  17 PHE C 1  18 LEU N  1  18 LEU CA 1  18 LEU C -144.69 -114.69  -78.53  -78.75  -79.01  37.86 11 20  [********-*+*********]  
         2 PSI 1  18 LEU N 1  18 LEU CA 1  18 LEU C  1  19 ARG N  149.41  179.41  116.51  122.41  120.50  39.10 17 20  [**-*************+***]  
         3 PHI 1  18 LEU C 1  19 ARG N  1  19 ARG CA 1  19 ARG C -133.62 -103.62 -118.07 -129.17 -108.82      .  .  0 "[    .    1    .    2]" 
         4 PSI 1  19 ARG N 1  19 ARG CA 1  19 ARG C  1  20 ILE N  127.65  157.65  151.37  140.02  155.28      .  .  0 "[    .    1    .    2]" 
         5 PHI 1  19 ARG C 1  20 ILE N  1  20 ILE CA 1  20 ILE C -122.09  -92.09 -124.18 -124.50 -124.63   3.15 17  0 "[    .    1    .    2]" 
         6 PSI 1  20 ILE N 1  20 ILE CA 1  20 ILE C  1  21 LEU N  104.55  134.55  115.08  103.25  128.07   1.30 16  0 "[    .    1    .    2]" 
         7 PHI 1  27 ASP C 1  28 GLY N  1  28 GLY CA 1  28 GLY C -126.71  -96.71  -85.25  -86.35  -88.89  24.28  8 19  [*******+-**********2]  
         8 PSI 1  28 GLY N 1  28 GLY CA 1  28 GLY C  1  29 THR N  111.66  141.66  146.01  130.63  159.44  17.78  1 11 "[+** .*  *1*****   -2]" 
         9 PHI 1  28 GLY C 1  29 THR N  1  29 THR CA 1  29 THR C -109.45  -79.45 -149.30 -162.37 -170.92  61.47  1 20  [+******-************]  
        10 PSI 1  29 THR N 1  29 THR CA 1  29 THR C  1  30 ARG N  106.95  136.95  130.25   -5.38  162.44 112.33  8  7 "[    * *+ -  * * *  2]" 
        11 PHI 1  29 THR C 1  30 ARG N  1  30 ARG CA 1  30 ARG C -139.56 -109.56 -106.56 -105.65 -106.00 141.11 17  8 "[    .* **1*  *.*+- 2]" 
        12 PSI 1  30 ARG N 1  30 ARG CA 1  30 ARG C  1  31 ASP N  125.76  155.76   45.33   47.81   44.53 112.70 13 20  [************+****-**]  
        13 PHI 1  30 ARG C 1  31 ASP N  1  31 ASP CA 1  31 ASP C -124.15  -94.15 -125.28 -146.33  -68.82  25.33 13 14 "[ ***.****** + .*-* *]" 
        14 PSI 1  31 ASP N 1  31 ASP CA 1  31 ASP C  1  32 ARG N  103.64  133.64   73.31   98.42   94.66 125.09 13 16 "[*-*****  ***+*** **2]" 
        15 PHI 1  31 ASP C 1  32 ARG N  1  32 ARG CA 1  32 ARG C  -96.54  -66.54  -30.14  -88.76   66.40 132.94 14 17 "[*******  *-**+** ***]" 
        16 PSI 1  32 ARG N 1  32 ARG CA 1  32 ARG C  1  33 SER N  133.52  163.52  -33.32  -65.89   60.55 164.61  7 20  [******+*-***********]  
        17 PHI 1  35 GLN C 1  36 HIS N  1  36 HIS CA 1  36 HIS C -126.59  -96.59 -103.08 -130.37 -140.04  52.20  1 14 "[+-* * *  * **** ****]" 
        18 PSI 1  36 HIS N 1  36 HIS CA 1  36 HIS C  1  37 ILE N  107.54  147.54  -23.99  -15.31  -23.16 154.44 12 20  [***********+**-*****]  
        19 PHI 1  36 HIS C 1  37 ILE N  1  37 ILE CA 1  37 ILE C -135.14 -105.14  -65.51 -106.09  -39.46  65.68 13 18 "[*-*** ******+*.*****]" 
        20 PSI 1  37 ILE N 1  37 ILE CA 1  37 ILE C  1  38 GLN N  107.28  147.28  -29.05  -22.39  -25.86 147.88 20 20  [*****************-*+]  
        21 PHI 1  37 ILE C 1  38 GLN N  1  38 GLN CA 1  38 GLN C -148.01 -108.01  -58.18  -62.16  -64.36  61.75 20 20  [**************-****+]  
        22 PSI 1  38 GLN N 1  38 GLN CA 1  38 GLN C  1  39 LEU N  122.43  162.43   91.24   81.95  102.95  40.48 11 20  [**********+**-******]  
        23 PHI 1  44 GLU C 1  45 SER N  1  45 SER CA 1  45 SER C  -73.90  -43.90 -127.34 -128.27 -128.34  55.40 11 20  [**********+**-******]  
        24 PSI 1  45 SER N 1  45 SER CA 1  45 SER C  1  46 VAL N  120.00  150.50  165.34  160.41  168.16  17.66 19 20  [****-*************+*]  
        25 PHI 1  49 VAL C 1  50 TYR N  1  50 TYR CA 1  50 TYR C -115.77  -85.77 -120.18 -131.15 -114.92  15.38 14  7 "[   *.    * **+* -  2]" 
        26 PSI 1  50 TYR N 1  50 TYR CA 1  50 TYR C  1  51 ILE N  116.87  146.87  133.81  131.44  145.32      .  .  0 "[    .    1    .    2]" 
        27 PHI 1  50 TYR C 1  51 ILE N  1  51 ILE CA 1  51 ILE C -135.82 -105.82 -116.14 -116.39 -117.61      .  .  0 "[    .    1    .    2]" 
        28 PSI 1  51 ILE N 1  51 ILE CA 1  51 ILE C  1  52 LYS N  114.87  144.87  116.71  118.23  117.21   7.57  5  4 "[  * +   -1*   .    2]" 
        29 PHI 1  51 ILE C 1  52 LYS N  1  52 LYS CA 1  52 LYS C -115.20  -85.20 -133.69 -136.58 -138.80  27.01 16 19 "[** *****-******+****]" 
        30 PSI 1  52 LYS N 1  52 LYS CA 1  52 LYS C  1  53 SER N  106.10  136.10  148.76  153.17  152.96  17.36 16 19  [*****-********.+****]  
        31 PHI 1  52 LYS C 1  53 SER N  1  53 SER CA 1  53 SER C -143.69 -113.69  -82.12  -84.28  -84.34  35.43 15 20  [**************+*-***]  
        32 PSI 1  53 SER N 1  53 SER CA 1  53 SER C  1  54 THR N  130.85  160.85  134.05  121.38  137.48   9.47 15  1 "[    .    1    +    2]" 
        33 PHI 1  53 SER C 1  54 THR N  1  54 THR CA 1  54 THR C -130.11 -100.11  -91.65  -92.75  -94.05  18.66 15 15 "[ ***.-* *1****+** **]" 
        34 PSI 1  54 THR N 1  54 THR CA 1  54 THR C  1  55 GLU N  100.19  130.19   -0.24  -27.53   19.55 127.72  2 20  [*+***-**************]  
        35 PHI 1  55 GLU C 1  56 THR N  1  56 THR CA 1  56 THR C -128.14  -88.14  -74.50  -70.38  -74.66  29.08  8 16 "[ * -* *+*1**********]" 
        36 PSI 1  56 THR N 1  56 THR CA 1  56 THR C  1  57 GLY N  125.82  165.82  -57.85  -77.35  -41.98 152.20 17 20  [*******-********+***]  
        37 PHI 1  58 GLN C 1  59 TYR N  1  59 TYR CA 1  59 TYR C -144.70 -114.70  -99.33 -131.48  -77.00  37.70  3 17 "[* +*.************* -]" 
        38 PSI 1  59 TYR N 1  59 TYR CA 1  59 TYR C  1  60 LEU N  121.33  151.33  142.30  140.88  139.87  21.79 19  1 "[    .    1    .   +2]" 
        39 PHI 1  59 TYR C 1  60 LEU N  1  60 LEU CA 1  60 LEU C -146.11 -116.11  -79.51  -77.37  -77.48  39.20  2 20  [*+****************-*]  
        40 PSI 1  60 LEU N 1  60 LEU CA 1  60 LEU C  1  61 ALA N  136.42  166.42  116.04  110.47  119.97  25.95  8 20  [*******+**-*********]  
        41 PHI 1  60 LEU C 1  61 ALA N  1  61 ALA CA 1  61 ALA C -145.90 -115.90 -137.99 -140.73 -132.45      .  .  0 "[    .    1    .    2]" 
        42 PSI 1  61 ALA N 1  61 ALA CA 1  61 ALA C  1  62 MET N  132.18  162.18  151.88  147.67  155.49      .  .  0 "[    .    1    .    2]" 
        43 PHI 1  61 ALA C 1  62 MET N  1  62 MET CA 1  62 MET C -133.97 -103.97 -106.17 -106.81 -107.92   0.77 17  0 "[    .    1    .    2]" 
        44 PSI 1  62 MET N 1  62 MET CA 1  62 MET C  1  63 ASP N  107.94  137.94  122.95  117.16  116.70   7.95  3  1 "[  + .    1    .    2]" 
        45 PHI 1  62 MET C 1  63 ASP N  1  63 ASP CA 1  63 ASP C -142.34 -112.34  -76.37  -97.42  -65.53  46.81 17 20  [**-*************+***]  
        46 PSI 1  63 ASP N 1  63 ASP CA 1  63 ASP C  1  64 THR N  122.89  152.89 -172.17 -159.80 -161.60  47.31  2 20  [*+-*****************]  
        47 PHI 1  63 ASP C 1  64 THR N  1  64 THR CA 1  64 THR C -108.35  -78.35  -78.58  -87.14  -50.64  27.71  3  4 "[  + .    1  - . *  *]" 
        48 PSI 1  64 THR N 1  64 THR CA 1  64 THR C  1  65 ASP N  107.08  137.08  -19.44  -35.97   -1.04 143.05 17 20  [*******-********+***]  
        49 PHI 1  65 ASP C 1  66 GLY N  1  66 GLY CA 1  66 GLY C -112.38  -72.38   89.16   79.81  111.57 159.69  1 20  [+***************-***]  
        50 PHI 1  70 GLY C 1  71 SER N  1  71 SER CA 1  71 SER C -107.76  -77.76  -89.18  -96.08  -85.87      .  .  0 "[    .    1    .    2]" 
        51 PSI 1  71 SER N 1  71 SER CA 1  71 SER C  1  72 GLN N   99.42  129.42  136.32  139.74  139.67  11.16 14 16 "[** **** *1***+***- *]" 
        52 PHI 1  71 SER C 1  72 GLN N  1  72 GLN CA 1  72 GLN C -140.35 -110.35  -66.78  -78.39  -52.09  58.26 19 20  [*****************-+*]  
        53 PSI 1  72 GLN N 1  72 GLN CA 1  72 GLN C  1  73 THR N  125.25  155.25  -39.03  -33.72  -33.88 164.75 12 20  [***********+******-*]  
        54 PHI 1  72 GLN C 1  73 THR N  1  73 THR CA 1  73 THR C -133.50 -103.50 -120.19 -135.41  -98.83   4.67  8  0 "[    .    1    .    2]" 
        55 PSI 1  73 THR N 1  73 THR CA 1  73 THR C  1  74 PRO N  116.43  146.43  158.86  160.25  159.49  18.07 12 20  [***********+***-****]  
        56 PHI 1  78 CYS C 1  79 LEU N  1  79 LEU CA 1  79 LEU C -126.17  -96.17  -86.99  -90.57  -83.02  13.15  4 20  [***+***-************]  
        57 PSI 1  79 LEU N 1  79 LEU CA 1  79 LEU C  1  80 PHE N  114.65  144.65  123.76  117.20  131.42      .  .  0 "[    .    1    .    2]" 
        58 PHI 1  81 LEU C 1  82 GLU N  1  82 GLU CA 1  82 GLU C -116.34  -86.34 -108.98 -110.55 -107.55      .  .  0 "[    .    1    .    2]" 
        59 PSI 1  82 GLU N 1  82 GLU CA 1  82 GLU C  1  83 ARG N  109.36  139.36  147.05  142.52  140.87  13.20 14 17 "[ ***** ***** +*-****]" 
        60 PHI 1  85 GLU C 1  86 GLU N  1  86 GLU CA 1  86 GLU C -126.93  -96.93  -62.82  -60.80  -62.75  51.16 14 20  [*****-*******+******]  
        61 PSI 1  86 GLU N 1  86 GLU CA 1  86 GLU C  1  87 ASN N  127.05  157.05  154.19  175.57  172.16  86.46  6 20  [-****+**************]  
        62 PHI 1  90 ASN C 1  91 THR N  1  91 THR CA 1  91 THR C -136.75 -106.75 -129.56 -144.11 -124.69   7.36 19  1 "[    .    1    .   +2]" 
        63 PSI 1  91 THR N 1  91 THR CA 1  91 THR C  1  92 TYR N  134.22  164.22  161.37  141.52  171.62   7.40 16  3 "[    .    1    *+ - 2]" 
        64 PHI 1  91 THR C 1  92 TYR N  1  92 TYR CA 1  92 TYR C -134.53 -104.53 -142.07 -145.72 -146.35  15.33 16 15 "[** ******1-****+ * 2]" 
        65 PSI 1  92 TYR N 1  92 TYR CA 1  92 TYR C  1  93 ILE N  111.47  141.47  133.04  132.44  134.06      .  .  0 "[    .    1    .    2]" 
        66 PHI 1  92 TYR C 1  93 ILE N  1  93 ILE CA 1  93 ILE C -139.29 -109.29 -133.42 -137.30 -130.02      .  .  0 "[    .    1    .    2]" 
        67 PSI 1  93 ILE N 1  93 ILE CA 1  93 ILE C  1  94 SER N  133.64  163.64  141.83  133.73  152.38      .  .  0 "[    .    1    .    2]" 
        68 PHI 1  93 ILE C 1  94 SER N  1  94 SER CA 1  94 SER C -157.28 -127.28  -67.69  -59.54  -61.99  68.88  2 20  [*+**-***************]  
        69 PSI 1  94 SER N 1  94 SER CA 1  94 SER C  1  95 LYS N  136.61  166.61  138.76  137.78  143.34      .  .  0 "[    .    1    .    2]" 
        70 PHI 1  94 SER C 1  95 LYS N  1  95 LYS CA 1  95 LYS C -122.69  -92.69  -68.36  -78.89  -62.74  29.95  5 20  [****+*****-*********]  
        71 PSI 1  95 LYS N 1  95 LYS CA 1  95 LYS C  1  96 LYS N  106.27  136.27  -65.44  -58.36  -65.35 164.63  4 20  [***+************-***]  
        72 PHI 1  95 LYS C 1  96 LYS N  1  96 LYS CA 1  96 LYS C -128.00  -98.00  -48.40  -63.63  -40.27  57.73 17 20  [*******-********+***]  
        73 PSI 1  96 LYS N 1  96 LYS CA 1  96 LYS C  1  97 HIS N  135.36  165.36  -27.30  -25.48  -27.41 165.00 10 20  [**-******+**********]  
        74 PHI 1  99 GLU C 1 100 LYS N  1 100 LYS CA 1 100 LYS C -144.45 -104.45  -79.67  -90.23  -73.50  30.95  3 20  [**+*******-*********]  
        75 PSI 1 100 LYS N 1 100 LYS CA 1 100 LYS C  1 101 ASN N  131.64  171.64   -6.10  -12.48    1.23 144.12  3 20  [**+*-***************]  
        76 PHI 1 100 LYS C 1 101 ASN N  1 101 ASN CA 1 101 ASN C -134.65 -104.65   48.58   43.86   52.71 157.36 15 20  [**********-***+*****]  
        77 PSI 1 101 ASN N 1 101 ASN CA 1 101 ASN C  1 102 TRP N  143.62  173.62   64.49   64.33   64.26  79.95  8 20  [*******+**********-*]  
        78 PHI 1 101 ASN C 1 102 TRP N  1 102 TRP CA 1 102 TRP C -155.53 -125.53 -112.29 -112.64 -112.97  14.23 14 20  [***-*********+******]  
        79 PSI 1 102 TRP N 1 102 TRP CA 1 102 TRP C  1 103 PHE N  142.52  172.52  132.18  130.98  138.27  11.54 17 19 "[****-******** **+***]" 
        80 PHI 1 102 TRP C 1 103 PHE N  1 103 PHE CA 1 103 PHE C -149.45 -119.45 -114.81 -115.64 -116.26   8.68 19 11 "[ **** -* 1*** .  *+2]" 
        81 PSI 1 103 PHE N 1 103 PHE CA 1 103 PHE C  1 104 VAL N  133.40  163.40  148.28  144.45  149.29      .  .  0 "[    .    1    .    2]" 
        82 PHI 1 103 PHE C 1 104 VAL N  1 104 VAL CA 1 104 VAL C -143.46 -113.46  -73.36  -76.49  -85.42  52.69  9 20  [********+****-******]  
        83 PSI 1 104 VAL N 1 104 VAL CA 1 104 VAL C  1 105 GLY N  134.10  164.10  -58.14  -95.33  125.78 160.05  4 20  [***+***********-****]  
        84 PHI 1 104 VAL C 1 105 GLY N  1 105 GLY CA 1 105 GLY C  -90.62  -50.62   10.94  -32.93 -126.74 105.19  2 20  [*+*****-************]  
        85 PSI 1 105 GLY N 1 105 GLY CA 1 105 GLY C  1 106 LEU N  138.55  178.55  160.68  139.92  175.28      .  .  0 "[    .    1    .    2]" 
        86 PHI 1 111 SER C 1 112 CYS N  1 112 CYS CA 1 112 CYS C   43.49   83.49  -72.21  -83.03  -65.89 126.52 20 20  [****************-**+]  
        87 PSI 1 112 CYS N 1 112 CYS CA 1 112 CYS C  1 113 LYS N   23.50   63.50  135.01  135.50  135.35  72.93  2 20  [*+************-*****]  
        88 PHI 1 112 CYS C 1 113 LYS N  1 113 LYS CA 1 113 LYS C -143.57 -113.57  -90.30  -89.97  -90.10  24.30  2 20  [*+***********-******]  
        89 PSI 1 113 LYS N 1 113 LYS CA 1 113 LYS C  1 114 ARG N  132.14  162.14  120.88  121.85  119.03  24.61  4 17 "[***+- ***1******** *]" 
        90 PHI 1 113 LYS C 1 114 ARG N  1 114 ARG CA 1 114 ARG C -123.74  -93.74  -37.75  -42.48  -34.74  59.00 19 20  [****************-*+*]  
        91 PSI 1 114 ARG N 1 114 ARG CA 1 114 ARG C  1 115 GLY N  118.63  148.63  139.72  146.96  144.46   4.81  5  0 "[    .    1    .    2]" 
        92 PHI 1 116 PRO C 1 117 ARG N  1 117 ARG CA 1 117 ARG C -137.53 -107.53 -131.75 -143.12 -143.61   7.12 12  9 "[** *.   *1 + ** *  -]" 
        93 PSI 1 117 ARG N 1 117 ARG CA 1 117 ARG C  1 118 THR N  129.52  159.52   27.03    8.27   47.07 121.25  8 20  [*******+**********-*]  
        94 PHI 1 119 HIS C 1 120 TYR N  1 120 TYR CA 1 120 TYR C -115.82  -85.82  -85.85  -73.58  -79.49  14.36  3  5 "[-*+ .    1    . *  *]" 
        95 PSI 1 120 TYR N 1 120 TYR CA 1 120 TYR C  1 121 GLY N   -4.27   25.73  131.54  114.28  144.64 118.91 15 20  [*************-+*****]  
        96 PHI 1 120 TYR C 1 121 GLY N  1 121 GLY CA 1 121 GLY C   62.58   92.58  115.06  118.71  115.73  41.28 16 19 "[****** ********+**-*]" 
        97 PSI 1 121 GLY N 1 121 GLY CA 1 121 GLY C  1 122 GLN N   14.83   44.83  -10.04  -25.79   26.69  40.62 20 17 "[****** *****-****  +]" 
        98 PHI 1 121 GLY C 1 122 GLN N  1 122 GLN CA 1 122 GLN C -137.93 -107.93  -86.87  -81.34  -85.49  31.81  3 19 "[**+********-***** **]" 
        99 PSI 1 122 GLN N 1 122 GLN CA 1 122 GLN C  1 123 LYS N  136.56  166.56  150.74  135.74  162.58   0.82 18  0 "[    .    1    .    2]" 
       100 PHI 1 122 GLN C 1 123 LYS N  1 123 LYS CA 1 123 LYS C  -97.02  -67.02  -87.60  -90.38  -91.86  11.73 18  2 "[    . -  1    .  + 2]" 
       101 PSI 1 123 LYS N 1 123 LYS CA 1 123 LYS C  1 124 ALA N  104.25  134.25   11.19   13.54   11.28 123.84 18 20  [**************-**+**]  
       102 PHI 1 123 LYS C 1 124 ALA N  1 124 ALA CA 1 124 ALA C -121.34  -91.34  -90.35 -106.73  -67.01  24.33 18  6 "[    . *  1 -**.  +*2]" 
       103 PSI 1 124 ALA N 1 124 ALA CA 1 124 ALA C  1 125 ILE N  100.72  130.72  -51.90  -64.06  -31.00 164.78 13 20  [************+*-*****]  
       104 PHI 1 128 LEU C 1 129 PRO N  1 129 PRO CA 1 129 PRO C -144.92 -114.92  -75.01  -75.06  -74.96  39.96 12 20  [*-*********+********]  
       105 PSI 1 129 PRO N 1 129 PRO CA 1 129 PRO C  1 130 LEU N  136.57  166.57  115.85  112.51  109.49  29.76  8 20  [*******+*******-****]  
       106 PHI 1 130 LEU C 1 131 PRO N  1 131 PRO CA 1 131 PRO C  -94.14  -64.14  -75.00  -75.03  -75.05      .  .  0 "[    .    1    .    2]" 
       107 PSI 1 131 PRO N 1 131 PRO CA 1 131 PRO C  1 132 VAL N  114.40  144.40  127.51  139.52  134.90  10.67 16  5 "[    .**  1   *.+   -]" 
       108 PHI 1 132 VAL C 1 133 SER N  1 133 SER CA 1 133 SER C -116.16  -76.16   99.78   43.76 -156.36 154.14 13 20  [************+***-***]  
       109 PSI 1 133 SER N 1 133 SER CA 1 133 SER C  1 134 SER N  124.59  164.59  112.81  128.87  117.06 125.97 13 13 "[-  ** ** ***+*** * 2]" 
       110 PHI 1 137 GLU C 1 138 HIS N  1 138 HIS CA 1 138 HIS C -139.12 -109.12 -130.77 -114.72 -117.44 164.78  5 16 "[  **+* *-**********2]" 
       111 PSI 1 138 HIS N 1 138 HIS CA 1 138 HIS C  1 139 HIS N  126.54  156.54  142.38   82.21  -62.40 141.06 14 16 "[*** *****1**-+**** 2]" 
       112 PHI 1 138 HIS C 1 139 HIS N  1 139 HIS CA 1 139 HIS C -144.91 -104.91 -132.45  -62.14  -85.02 150.87 10 14 "[ *-*** **+* ***  * *]" 
       113 PSI 1 139 HIS N 1 139 HIS CA 1 139 HIS C  1 140 HIS N  102.53  142.53  156.38   95.44  -52.41 158.51  6 15 "[**  -+* ******* ***2]" 
       114 PSI 1 140 HIS N 1 140 HIS CA 1 140 HIS C  1 141 HIS N  106.80  146.80  146.33  -74.03  177.18 159.90  2 14 "[*+* ** **1** *.** *-]" 
       115 PHI 1 140 HIS C 1 141 HIS N  1 141 HIS CA 1 141 HIS C -123.58  -83.58 -120.62   71.32  -51.52 156.52  8 13 "[ ** .**+ 1**-***  **]" 
       116 PSI 1 141 HIS N 1 141 HIS CA 1 141 HIS C  1 142 HIS N  117.44  157.44  166.88  -68.04 -173.04 139.87 13 13 "[ ** .** ***-+ * ***2]" 
    stop_

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