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
636299 6g7g 27439 cing 4-filtered-FRED Wattos check violation dihedral angle


data_6g7g


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              126
    _TA_constraint_stats_list.Viol_count                    606
    _TA_constraint_stats_list.Viol_total                    41092.13
    _TA_constraint_stats_list.Viol_max                      36.99
    _TA_constraint_stats_list.Viol_rms                      2.45
    _TA_constraint_stats_list.Viol_average_all_restraints   0.82
    _TA_constraint_stats_list.Viol_average_violations_only  3.39
    _TA_constraint_stats_list.Cutoff_violation_report       5.00
    _TA_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * ID of the restraint list.                                                                 
*  3 * Number of restraints in list.                                                             
*  4 * Number of violated restraints (each model violation is used).                             
*  5 * Sum of violations in degrees.                                                             
*  6 * Maximum violation of a restraint without averaging in any way.                            
*  7 * Rms of violations over all restraints.                                                    
*  8 *  Average violation over all restraints.                                                   
*  9 *  Average violation over violated restraints.                                              
            This violation is averaged over only those models in which the restraint is violated.
            Threshold for reporting violations (degrees) in the last columns of the next table.     
*  10 * This tag.                                                                                

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                             
*  2 * Torsion angle name where available.                             
*  3 *     First atom's:                                               
*  4 * Chain identifier (can be absent if none defined)                
*  5 * Residue number                                                  
*  6 * Residue name                                                    
*  7 * Name of (pseudo-)atom                                           
*  8 *  Second thru fourth atom's identifiers occupy columns 7 thru 18.
*  19 * Lower bound (degrees)                                               
*  20 * Upper bound (degrees)                                               
*  21 * Average angle in ensemble of models                                 
*  22 * Minimum angle in ensemble of models (counter clockwise from range)  
*  23 * Maximum angle in ensemble of models         (clockwise from range)  
*  24 * Maximum violation (without any averaging)                           
*  25 * Model number with the maximum violation                             
*  26 * Number of models with a violation above cutoff                      
*  27 * List of models with a violation above cutoff. See description above.
*  28 * Administrative tag                                                  
*  29 * Administrative tag                                                  

;


    loop_
       _TA_constraint_stats.Restraint_ID
       _TA_constraint_stats.Torsion_angle_name
       _TA_constraint_stats.Entity_assembly_ID_1
       _TA_constraint_stats.Comp_index_ID_1
       _TA_constraint_stats.Comp_ID_1
       _TA_constraint_stats.Atom_ID_1
       _TA_constraint_stats.Entity_assembly_ID_2
       _TA_constraint_stats.Comp_index_ID_2
       _TA_constraint_stats.Comp_ID_2
       _TA_constraint_stats.Atom_ID_2
       _TA_constraint_stats.Entity_assembly_ID_3
       _TA_constraint_stats.Comp_index_ID_3
       _TA_constraint_stats.Comp_ID_3
       _TA_constraint_stats.Atom_ID_3
       _TA_constraint_stats.Entity_assembly_ID_4
       _TA_constraint_stats.Comp_index_ID_4
       _TA_constraint_stats.Comp_ID_4
       _TA_constraint_stats.Atom_ID_4
       _TA_constraint_stats.Angle_lower_bound_val
       _TA_constraint_stats.Angle_upper_bound_val
       _TA_constraint_stats.Angle_average
       _TA_constraint_stats.Angle_minimum
       _TA_constraint_stats.Angle_maximum
       _TA_constraint_stats.Max_violation
       _TA_constraint_stats.Max_violation_model_number
       _TA_constraint_stats.Over_cutoff_violation_count
       _TA_constraint_stats.Over_cutoff_violation_per_model

         1 . 1   4 CYS C 1   5 LYS N  1   5 LYS CA 1   5 LYS C -150.00  -20.04  -93.66  -71.46  -93.92  3.75  4  0 "[    .    1    .    2]" 
         2 . 1   5 LYS N 1   5 LYS CA 1   5 LYS C  1   6 GLU N  100.00  172.50  148.34  147.47  145.58 13.98  9  2 "[  - .   +1    .    2]" 
         3 . 1   5 LYS C 1   6 GLU N  1   6 GLU CA 1   6 GLU C -110.00  -38.20  -72.90 -121.29  -54.00 11.29 19  2 "[    .   -1    .   +2]" 
         4 . 1   6 GLU N 1   6 GLU CA 1   6 GLU C  1   7 ILE N  100.00  170.30  111.57   63.01  148.66 36.99 19  2 "[  - .    1    .   +2]" 
         5 . 1   6 GLU C 1   7 ILE N  1   7 ILE CA 1   7 ILE C -180.00  -78.80  -90.34  -80.75  -83.44 21.43 19  1 "[    .    1    .   +2]" 
         6 . 1   7 ILE N 1   7 ILE CA 1   7 ILE C  1   8 GLU N   90.00  174.74  140.17  134.15  123.75  2.51 19  0 "[    .    1    .    2]" 
         7 . 1   7 ILE C 1   8 GLU N  1   8 GLU CA 1   8 GLU C -160.00 -109.58 -125.92 -158.34 -106.73  2.85  7  0 "[    .    1    .    2]" 
         8 . 1   8 GLU N 1   8 GLU CA 1   8 GLU C  1   9 ILE N  110.00 -160.42  135.43  144.64  139.20  3.58 19  0 "[    .    1    .    2]" 
         9 . 1   8 GLU C 1   9 ILE N  1   9 ILE CA 1   9 ILE C -150.00  -81.44 -109.08 -147.69  -82.49     .  .  0 "[    .    1    .    2]" 
        10 . 1   9 ILE N 1   9 ILE CA 1   9 ILE C  1  10 VAL N  100.00  150.06  123.12   98.81  141.63  1.19  9  0 "[    .    1    .    2]" 
        11 . 1   9 ILE C 1  10 VAL N  1  10 VAL CA 1  10 VAL C -140.00  -89.48 -105.57 -131.71  -87.73  1.75  8  0 "[    .    1    .    2]" 
        12 . 1  10 VAL N 1  10 VAL CA 1  10 VAL C  1  11 ILE N  100.00  149.82  127.83  127.79  126.94     .  .  0 "[    .    1    .    2]" 
        13 . 1  10 VAL C 1  11 ILE N  1  11 ILE CA 1  11 ILE C -150.00  -80.46 -110.24 -119.43 -101.67     .  .  0 "[    .    1    .    2]" 
        14 . 1  11 ILE N 1  11 ILE CA 1  11 ILE C  1  12 LYS N  100.00  150.74  114.44  105.68  100.20     .  .  0 "[    .    1    .    2]" 
        15 . 1  11 ILE C 1  12 LYS N  1  12 LYS CA 1  12 LYS C -160.00  -91.84 -108.26 -122.42  -89.77  2.07  1  0 "[    .    1    .    2]" 
        16 . 1  12 LYS N 1  12 LYS CA 1  12 LYS C  1  13 ASN N  100.00  172.56  155.51  153.94  152.15  4.87 18  0 "[    .    1    .    2]" 
        17 . 1  12 LYS C 1  13 ASN N  1  13 ASN CA 1  13 ASN C -150.00  -60.10 -140.56 -145.77 -149.28  3.12 17  0 "[    .    1    .    2]" 
        18 . 1  13 ASN N 1  13 ASN CA 1  13 ASN C  1  14 THR N   90.00  146.10  125.33  123.58  122.68  4.55 18  0 "[    .    1    .    2]" 
        19 . 1  19 ARG C 1  20 ILE N  1  20 ILE CA 1  20 ILE C -150.00  -62.16 -129.69  -59.92 -117.29  4.49 13  0 "[    .    1    .    2]" 
        20 . 1  20 ILE N 1  20 ILE CA 1  20 ILE C  1  21 LEU N  100.00  168.72  127.77  109.25  158.51     .  .  0 "[    .    1    .    2]" 
        21 . 1  20 ILE C 1  21 LEU N  1  21 LEU CA 1  21 LEU C -150.00  -99.78 -128.77 -130.14 -138.53  1.48  5  0 "[    .    1    .    2]" 
        22 . 1  21 LEU N 1  21 LEU CA 1  21 LEU C  1  22 GLN N  110.00  159.64  147.70  157.78  149.02 22.03 15  2 "[    .    -    +    2]" 
        23 . 1  21 LEU C 1  22 GLN N  1  22 GLN CA 1  22 GLN C -150.00  -95.54 -103.99 -140.65  -91.87  3.67 18  0 "[    .    1    .    2]" 
        24 . 1  22 GLN N 1  22 GLN CA 1  22 GLN C  1  23 TYR N  100.00  161.74  112.40  116.21  114.20  2.73 11  0 "[    .    1    .    2]" 
        25 . 1  22 GLN C 1  23 TYR N  1  23 TYR CA 1  23 TYR C -150.00  -99.96 -101.09 -112.12  -96.54  3.42  3  0 "[    .    1    .    2]" 
        26 . 1  23 TYR N 1  23 TYR CA 1  23 TYR C  1  24 HIS N  110.00  159.42  140.32  146.29  139.97  1.78 18  0 "[    .    1    .    2]" 
        27 . 1  23 TYR C 1  24 HIS N  1  24 HIS CA 1  24 HIS C -150.00  -81.46 -116.61 -151.80  -82.95  1.80 18  0 "[    .    1    .    2]" 
        28 . 1  24 HIS N 1  24 HIS CA 1  24 HIS C  1  25 CYS N  100.00  151.08  102.08   95.99  110.10  4.01 17  0 "[    .    1    .    2]" 
        29 . 1  24 HIS C 1  25 CYS N  1  25 CYS CA 1  25 CYS C -160.00  -78.88 -102.06 -112.66 -119.32     .  .  0 "[    .    1    .    2]" 
        30 . 1  25 CYS N 1  25 CYS CA 1  25 CYS C  1  26 ARG N  100.00  179.78  125.13  134.87  124.37  7.18 20  1 "[    .    1    .    +]" 
        31 . 1  25 CYS C 1  26 ARG N  1  26 ARG CA 1  26 ARG C -150.00  -79.08 -150.54 -152.45 -154.34 10.10 17  6 "[   *. -* 1 *  . +  *]" 
        32 . 1  26 ARG N 1  26 ARG CA 1  26 ARG C  1  27 SER N  100.00  152.76  129.62  149.89  136.19  5.37 20  1 "[    .    1    .    +]" 
        33 . 1  26 ARG C 1  27 SER N  1  27 SER CA 1  27 SER C -170.00  -58.54 -145.52 -111.11 -151.07 11.87  4  7 "[*  +.  * 1 *  . - **]" 
        34 . 1  27 SER N 1  27 SER CA 1  27 SER C  1  28 GLY N  100.00  166.08  143.29   93.97  171.47  6.03 19  2 "[-   .    1    .   +2]" 
        35 . 1  29 ASN C 1  30 THR N  1  30 THR CA 1  30 THR C -170.00  -86.16 -123.80  -89.41  -99.14  0.41  2  0 "[    .    1    .    2]" 
        36 . 1  30 THR N 1  30 THR CA 1  30 THR C  1  31 ASN N  100.00  161.06  124.88   96.44  163.46  3.56 13  0 "[    .    1    .    2]" 
        37 . 1  30 THR C 1  31 ASN N  1  31 ASN CA 1  31 ASN C -150.00  -56.48 -104.17  -94.73 -106.90     .  .  0 "[    .    1    .    2]" 
        38 . 1  31 ASN N 1  31 ASN CA 1  31 ASN C  1  32 VAL N   90.00  146.46  125.67   88.98  148.68  2.22  8  0 "[    .    1    .    2]" 
        39 . 1  34 VAL C 1  35 GLN N  1  35 GLN CA 1  35 GLN C -160.00  -99.50 -137.03 -104.00 -109.94  0.36 15  0 "[    .    1    .    2]" 
        40 . 1  35 GLN N 1  35 GLN CA 1  35 GLN C  1  36 TYR N  130.00 -172.70  160.65  158.01  152.74  1.67 18  0 "[    .    1    .    2]" 
        41 . 1  35 GLN C 1  36 TYR N  1  36 TYR CA 1  36 TYR C -150.00  -81.54 -104.78 -101.13 -105.84  3.06 18  0 "[    .    1    .    2]" 
        42 . 1  36 TYR N 1  36 TYR CA 1  36 TYR C  1  37 LEU N  100.00  168.96  154.27  137.61  173.92  4.96 10  0 "[    .    1    .    2]" 
        43 . 1  36 TYR C 1  37 LEU N  1  37 LEU CA 1  37 LEU C -160.00  -85.48 -129.04 -135.08 -140.16     .  .  0 "[    .    1    .    2]" 
        44 . 1  37 LEU N 1  37 LEU CA 1  37 LEU C  1  38 ASN N  100.00 -179.14  139.84   98.79 -177.55  1.59 10  0 "[    .    1    .    2]" 
        45 . 1  37 LEU C 1  38 ASN N  1  38 ASN CA 1  38 ASN C -100.00  -49.16  -93.11  -88.59  -90.50  2.34  6  0 "[    .    1    .    2]" 
        46 . 1  38 ASN N 1  38 ASN CA 1  38 ASN C  1  39 PHE N  100.00 -170.08  164.75  164.13  162.16     .  .  0 "[    .    1    .    2]" 
        47 . 1  41 GLY C 1  42 THR N  1  42 THR CA 1  42 THR C -160.00  -79.38 -108.96 -152.79  -76.19  3.19  6  0 "[    .    1    .    2]" 
        48 . 1  42 THR N 1  42 THR CA 1  42 THR C  1  43 ARG N  100.00  167.70  157.84  159.54  155.85  1.51  7  0 "[    .    1    .    2]" 
        49 . 1  42 THR C 1  43 ARG N  1  43 ARG CA 1  43 ARG C -150.00  -99.76 -127.11 -131.05 -133.26     .  .  0 "[    .    1    .    2]" 
        50 . 1  43 ARG N 1  43 ARG CA 1  43 ARG C  1  44 ILE N  110.00  140.94  108.80  107.63  106.57  3.76  1  0 "[    .    1    .    2]" 
        51 . 1  43 ARG C 1  44 ILE N  1  44 ILE CA 1  44 ILE C -150.00  -78.98 -110.61 -120.00 -101.69     .  .  0 "[    .    1    .    2]" 
        52 . 1  44 ILE N 1  44 ILE CA 1  44 ILE C  1  45 ILE N  100.00  149.64  124.38  122.56  121.13     .  .  0 "[    .    1    .    2]" 
        53 . 1  44 ILE C 1  45 ILE N  1  45 ILE CA 1  45 ILE C -150.00  -75.42  -96.70  -98.50 -100.01  0.92  8  0 "[    .    1    .    2]" 
        54 . 1  45 ILE N 1  45 ILE CA 1  45 ILE C  1  46 LYS N  100.00  159.84  156.90  149.56  136.73  4.10 14  0 "[    .    1    .    2]" 
        55 . 1  45 ILE C 1  46 LYS N  1  46 LYS CA 1  46 LYS C -170.00  -87.42 -149.79 -164.74 -123.29     .  .  0 "[    .    1    .    2]" 
        56 . 1  46 LYS N 1  46 LYS CA 1  46 LYS C  1  47 PHE N  100.00 -164.50  148.34  119.94  173.35     .  .  0 "[    .    1    .    2]" 
        57 . 1  46 LYS C 1  47 PHE N  1  47 PHE CA 1  47 PHE C -170.00  -70.00 -155.12 -142.04 -142.20  2.19 15  0 "[    .    1    .    2]" 
        58 . 1  47 PHE N 1  47 PHE CA 1  47 PHE C  1  48 LYS N  100.00  169.62  137.02  106.51  173.73  4.11 19  0 "[    .    1    .    2]" 
        59 . 1  53 GLU C 1  54 ARG N  1  54 ARG CA 1  54 ARG C  -90.00  -35.80  -77.44  -91.64  -43.96  1.64 17  0 "[    .    1    .    2]" 
        60 . 1  54 ARG N 1  54 ARG CA 1  54 ARG C  1  55 SER N  -50.00    0.72  -32.89  -53.06  -53.74  7.17 18  1 "[    .    1    .  + 2]" 
        61 . 1  56 ARG C 1  57 TRP N  1  57 TRP CA 1  57 TRP C -160.00  -72.80 -123.75 -103.07 -115.36     .  .  0 "[    .    1    .    2]" 
        62 . 1  57 TRP N 1  57 TRP CA 1  57 TRP C  1  58 ASN N  100.00  166.96  137.11   99.80 -179.71 13.33  6  1 "[    .+   1    .    2]" 
        63 . 1  57 TRP C 1  58 ASN N  1  58 ASN CA 1  58 ASN C -150.00  -96.50 -133.11 -152.53  -91.79  4.71 20  0 "[    .    1    .    2]" 
        64 . 1  58 ASN N 1  58 ASN CA 1  58 ASN C  1  59 CYS N  110.00  175.38  134.78  121.38  172.70     .  .  0 "[    .    1    .    2]" 
        65 . 1  58 ASN C 1  59 CYS N  1  59 CYS CA 1  59 CYS C -170.00  -97.60 -104.03 -123.05  -92.45  5.15 12  1 "[    .    1 +  .    2]" 
        66 . 1  59 CYS N 1  59 CYS CA 1  59 CYS C  1  60 LEU N  110.00 -172.98  138.76  126.42  122.88     .  .  0 "[    .    1    .    2]" 
        67 . 1  60 LEU C 1  61 PHE N  1  61 PHE CA 1  61 PHE C -160.00 -103.10  -98.08  -95.89  -96.75  7.21  2 13 "[ + **-******* .*   *]" 
        68 . 1  61 PHE N 1  61 PHE CA 1  61 PHE C  1  62 ARG N  120.00 -175.28  123.55  117.70  145.15  2.30 13  0 "[    .    1    .    2]" 
        69 . 1  61 PHE C 1  62 ARG N  1  62 ARG CA 1  62 ARG C -170.00 -122.26 -138.10 -170.64 -119.06  3.20 20  0 "[    .    1    .    2]" 
        70 . 1  62 ARG N 1  62 ARG CA 1  62 ARG C  1  63 GLN N  120.00 -178.92  155.51  119.48 -176.34  2.58  1  0 "[    .    1    .    2]" 
        71 . 1  65 ILE C 1  66 ASN N  1  66 ASN CA 1  66 ASN C -110.00  -33.32  -98.30 -113.85  -51.98  3.85 15  0 "[    .    1    .    2]" 
        72 . 1  66 ASN N 1  66 ASN CA 1  66 ASN C  1  67 MET N   90.00 -153.02 -160.37 -160.73 -167.08 21.61 13  5 "[  - .    1* +*. *  2]" 
        73 . 1  66 ASN C 1  67 MET N  1  67 MET CA 1  67 MET C  -90.00  -38.18  -67.93 -107.93  -36.08 17.93 13  3 "[    .    1- + . *  2]" 
        74 . 1  67 MET N 1  67 MET CA 1  67 MET C  1  68 LYS N  -50.00    1.16  -22.08  -24.12  -27.22  2.93 18  0 "[    .    1    .    2]" 
        75 . 1  71 THR C 1  72 GLU N  1  72 GLU CA 1  72 GLU C -150.00  -83.36 -120.17 -137.99 -141.63     .  .  0 "[    .    1    .    2]" 
        76 . 1  72 GLU N 1  72 GLU CA 1  72 GLU C  1  73 VAL N  100.00  165.12  112.52  111.41  109.33  0.90 15  0 "[    .    1    .    2]" 
        77 . 1  72 GLU C 1  73 VAL N  1  73 VAL CA 1  73 VAL C -170.00  -98.76 -117.78 -136.02  -97.60  1.16 17  0 "[    .    1    .    2]" 
        78 . 1  73 VAL N 1  73 VAL CA 1  73 VAL C  1  74 GLU N  110.00  179.28  129.83  108.28  165.52  1.72 12  0 "[    .    1    .    2]" 
        79 . 1  73 VAL C 1  74 GLU N  1  74 GLU CA 1  74 GLU C -160.00  -13.66  -71.72  -82.93  -87.67     .  .  0 "[    .    1    .    2]" 
        80 . 1  74 GLU N 1  74 GLU CA 1  74 GLU C  1  75 ALA N   90.00 -179.02  123.06   90.52 -176.20  2.82 11  0 "[    .    1    .    2]" 
        81 . 1  75 ALA C 1  76 TYR N  1  76 TYR CA 1  76 TYR C -180.00  -82.16 -145.07  179.84  -71.11 11.05  9  2 "[    .   +1-   .    2]" 
        82 . 1  76 TYR N 1  76 TYR CA 1  76 TYR C  1  77 ARG N  100.00  175.20  135.47   97.83 -173.54 11.26 16  1 "[    .    1    .+   2]" 
        83 . 1  76 TYR C 1  77 ARG N  1  77 ARG CA 1  77 ARG C -160.00  -79.82 -113.06  -81.37  -86.81  6.54 16  1 "[    .    1    .+   2]" 
        84 . 1  77 ARG N 1  77 ARG CA 1  77 ARG C  1  78 PRO N   90.00  175.40  137.56  145.80  138.81  4.30 16  0 "[    .    1    .    2]" 
        85 . 1  78 PRO C 1  79 ASP N  1  79 ASP CA 1  79 ASP C -100.00  -48.70  -87.76 -103.38  -50.60  3.38  7  0 "[    .    1    .    2]" 
        86 . 1  79 ASP N 1  79 ASP CA 1  79 ASP C  1  80 LEU N  100.00  176.32  135.36   96.80 -171.48 12.20  8  4 "[    *  + -  * .    2]" 
        87 . 1  79 ASP C 1  80 LEU N  1  80 LEU CA 1  80 LEU C  -90.00  -22.26  -70.30  -94.47   -9.21 13.05 10  1 "[    .    +    .    2]" 
        88 . 1  80 LEU N 1  80 LEU CA 1  80 LEU C  1  81 LYS N  -60.00    8.30  -18.34  -64.33   21.73 13.43 10  1 "[    .    +    .    2]" 
        89 . 1  80 LEU C 1  81 LYS N  1  81 LYS CA 1  81 LYS C  -90.00  -38.88  -83.60  -94.27  -58.77  4.27 14  0 "[    .    1    .    2]" 
        90 . 1  81 LYS N 1  81 LYS CA 1  81 LYS C  1  82 HIS N  -50.00    2.02  -20.67  -52.21   11.75  9.73 12  2 "[    -    1 +  .    2]" 
        91 . 1  81 LYS C 1  82 HIS N  1  82 HIS CA 1  82 HIS C -100.00  -42.30  -84.28  -88.64  -95.92  6.89 12  2 "[    .   -1 +  .    2]" 
        92 . 1  82 HIS N 1  82 HIS CA 1  82 HIS C  1  83 PRO N  100.00  159.38  130.27   96.21  162.30  3.79 20  0 "[    .    1    .    2]" 
        93 . 1  82 HIS C 1  83 PRO N  1  83 PRO CA 1  83 PRO C  -90.00  -41.90  -70.31  -65.58  -69.21 12.74 15  2 "[    .    -    +    2]" 
        94 . 1  83 PRO N 1  83 PRO CA 1  83 PRO C  1  84 LEU N  120.00  170.10  126.94  112.07  176.08  7.93 20  4 "[    .*   1 *  . -  +]" 
        95 . 1  85 CYS C 1  86 GLY N  1  86 GLY CA 1  86 GLY C -100.00  -32.06  -96.28 -108.03  -24.13  8.03 18  6 "[    *    1 - **  +*2]" 
        96 . 1  86 GLY N 1  86 GLY CA 1  86 GLY C  1  87 LYS N  -50.00   18.48   -6.16  -69.99   27.65 19.99 14  7 "[    **   1 * +*  * -]" 
        97 . 1  86 GLY C 1  87 LYS N  1  87 LYS CA 1  87 LYS C -160.00 -108.08 -130.77 -176.31 -104.68 16.31 14  3 "[    *    1   +.  - 2]" 
        98 . 1  87 LYS N 1  87 LYS CA 1  87 LYS C  1  88 ARG N  110.00 -169.14  156.16  103.78 -146.65 22.49 20  2 "[    .    1    .   -+]" 
        99 . 1  87 LYS C 1  88 ARG N  1  88 ARG CA 1  88 ARG C -150.00  -76.86 -139.84 -160.82  -52.07 24.79 20  5 "[    .    1*  *. - *+]" 
       100 . 1  88 ARG N 1  88 ARG CA 1  88 ARG C  1  89 TYR N  100.00  149.76  132.72   91.88  165.03 15.27 17  6 "[  - *    1 *  . +**2]" 
       101 . 1  88 ARG C 1  89 TYR N  1  89 TYR CA 1  89 TYR C -150.00  -99.46 -120.67 -155.10  -82.29 17.17 17  3 "[    .    1   -. + *2]" 
       102 . 1  89 TYR N 1  89 TYR CA 1  89 TYR C  1  90 GLU N  100.00  157.28  139.57  147.24  136.30 18.55 17  3 "[    .    1 *  . +- 2]" 
       103 . 1  89 TYR C 1  90 GLU N  1  90 GLU CA 1  90 GLU C -160.00  -90.88 -113.71 -166.17  -79.13 11.75 17  2 "[  - .    1    . +  2]" 
       104 . 1  90 GLU N 1  90 GLU CA 1  90 GLU C  1  91 LEU N  110.00  173.42  129.31  124.70  121.44     .  .  0 "[    .    1    .    2]" 
       105 . 1  90 GLU C 1  91 LEU N  1  91 LEU CA 1  91 LEU C -160.00  -58.72 -111.47 -112.60 -113.57  2.60  3  0 "[    .    1    .    2]" 
       106 . 1  91 LEU N 1  91 LEU CA 1  91 LEU C  1  92 SER N  100.00  149.72  124.96  135.12  129.84  0.31 11  0 "[    .    1    .    2]" 
       107 . 1  91 LEU C 1  92 SER N  1  92 SER CA 1  92 SER C -150.00  -99.42 -122.94 -143.58  -98.04  1.38 17  0 "[    .    1    .    2]" 
       108 . 1  92 SER N 1  92 SER CA 1  92 SER C  1  93 ALA N  110.00  158.04  133.08  132.49  131.81  1.93 12  0 "[    .    1    .    2]" 
       109 . 1  92 SER C 1  93 ALA N  1  93 ALA CA 1  93 ALA C -170.00  -55.20  -89.81  -88.74  -90.29     .  .  0 "[    .    1    .    2]" 
       110 . 1  93 ALA N 1  93 ALA CA 1  93 ALA C  1  94 ARG N   90.00 -173.90  110.26   89.34  150.11  0.66  2  0 "[    .    1    .    2]" 
       111 . 1 100 PHE C 1 101 LYS N  1 101 LYS CA 1 101 LYS C -150.00 -100.08 -132.77 -114.73 -124.13  4.28 10  0 "[    .    1    .    2]" 
       112 . 1 101 LYS N 1 101 LYS CA 1 101 LYS C  1 102 MET N  100.00  150.30  136.48  144.83  137.29  8.18 12  1 "[    .    1 +  .    2]" 
       113 . 1 101 LYS C 1 102 MET N  1 102 MET CA 1 102 MET C -170.00  -54.40 -114.64  -53.18  -68.24  2.49 14  0 "[    .    1    .    2]" 
       114 . 1 102 MET N 1 102 MET CA 1 102 MET C  1 103 ASP N   90.00  163.00  125.49   93.13   87.11 11.78 11  4 "[*   .   -1+   .*   2]" 
       115 . 1 102 MET C 1 103 ASP N  1 103 ASP CA 1 103 ASP C -120.00  -29.90  -88.61 -123.99 -126.20  9.01 16  4 "[*   .    1*-  .+   2]" 
       116 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C  1 104 GLU N  120.00 -169.60  168.87  126.88 -167.03  2.57 14  0 "[    .    1    .    2]" 
       117 . 1 105 ARG C 1 106 PRO N  1 106 PRO CA 1 106 PRO C  -90.00  -40.04  -64.50  -91.94  -37.39  2.65  7  0 "[    .    1    .    2]" 
       118 . 1 106 PRO N 1 106 PRO CA 1 106 PRO C  1 107 PRO N  120.00 -170.56  145.21  153.39  148.39  7.73 12  2 "[    .   -1 +  .    2]" 
       119 . 1 106 PRO C 1 107 PRO N  1 107 PRO CA 1 107 PRO C -110.00  -21.04  -65.31  -78.79  -84.81  8.70 12  1 "[    .    1 +  .    2]" 
       120 . 1 107 PRO N 1 107 PRO CA 1 107 PRO C  1 108 GLN N  110.00 -176.48  147.75  109.16 -174.47  2.01 20  0 "[    .    1    .    2]" 
       121 . 1 107 PRO C 1 108 GLN N  1 108 GLN CA 1 108 GLN C -180.00  -34.52 -135.37 -177.35 -100.59     .  .  0 "[    .    1    .    2]" 
       122 . 1 108 GLN N 1 108 GLN CA 1 108 GLN C  1 109 PRO N   90.00 -174.76  152.37  146.94  144.31  3.12 20  0 "[    .    1    .    2]" 
       123 . 1 110 LEU C 1 111 ASN N  1 111 ASN CA 1 111 ASN C -180.00 -102.82 -151.86  177.26 -136.33  2.74  3  0 "[    .    1    .    2]" 
       124 . 1 111 ASN N 1 111 ASN CA 1 111 ASN C  1 112 LYS N  110.00 -162.34  173.57 -179.01  176.27  4.15  3  0 "[    .    1    .    2]" 
       125 . 1 112 LYS C 1 113 TRP N  1 113 TRP CA 1 113 TRP C -160.00  -46.32  -71.86  -56.23  -61.10  1.09  2  0 "[    .    1    .    2]" 
       126 . 1 113 TRP N 1 113 TRP CA 1 113 TRP C  1 114 ARG N  100.00  175.76  151.62   92.36  179.04  7.64  3  1 "[  + .    1    .    2]" 
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