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
443711 2kf2 16881 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2kf2


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              184
    _TA_constraint_stats_list.Viol_count                    46
    _TA_constraint_stats_list.Viol_total                    172.81
    _TA_constraint_stats_list.Viol_max                      0.55
    _TA_constraint_stats_list.Viol_rms                      0.03
    _TA_constraint_stats_list.Viol_average_all_restraints   0.00
    _TA_constraint_stats_list.Viol_average_violations_only  0.19
    _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   1 MET C 1   2 ALA N  1   2 ALA CA 1   2 ALA C -177.88  -97.88 -135.03 -155.14 -166.46 0.19 17 0 "[    .    1    .    2]" 
         2 . 1   2 ALA N 1   2 ALA CA 1   2 ALA C  1   3 GLY N  105.06 -154.94  124.53  136.64  129.76 0.03  7 0 "[    .    1    .    2]" 
         3 . 1   3 GLY C 1   4 HIS N  1   4 HIS CA 1   4 HIS C -154.02  -74.02 -110.63 -151.28  -86.36    .  . 0 "[    .    1    .    2]" 
         4 . 1   4 HIS N 1   4 HIS CA 1   4 HIS C  1   5 THR N   78.33  178.33   97.44   78.26  133.80 0.07  5 0 "[    .    1    .    2]" 
         5 . 1   4 HIS C 1   5 THR N  1   5 THR CA 1   5 THR C -156.50  -76.50 -100.78 -136.46  -81.29    .  . 0 "[    .    1    .    2]" 
         6 . 1   5 THR N 1   5 THR CA 1   5 THR C  1   6 ASP N   92.38 -167.62  115.17   96.29  155.52    .  . 0 "[    .    1    .    2]" 
         7 . 1   5 THR C 1   6 ASP N  1   6 ASP CA 1   6 ASP C -151.19  -71.19 -107.50 -109.14 -112.81    .  . 0 "[    .    1    .    2]" 
         8 . 1   6 ASP N 1   6 ASP CA 1   6 ASP C  1   7 ASN N   80.58 -179.42   99.87   94.97   90.24    .  . 0 "[    .    1    .    2]" 
         9 . 1   7 ASN C 1   8 GLU N  1   8 GLU CA 1   8 GLU C -167.15  -87.15 -100.50  -93.20  -95.21    .  . 0 "[    .    1    .    2]" 
        10 . 1   8 GLU N 1   8 GLU CA 1   8 GLU C  1   9 ILE N   97.51 -162.49  130.93  110.70  155.99    .  . 0 "[    .    1    .    2]" 
        11 . 1   8 GLU C 1   9 ILE N  1   9 ILE CA 1   9 ILE C  175.47 -104.53 -135.05 -131.55 -140.22    .  . 0 "[    .    1    .    2]" 
        12 . 1   9 ILE N 1   9 ILE CA 1   9 ILE C  1  10 THR N   88.13 -171.87  129.86  112.50  140.25    .  . 0 "[    .    1    .    2]" 
        13 . 1   9 ILE C 1  10 THR N  1  10 THR CA 1  10 THR C -139.70  -59.70  -87.43  -82.25  -84.22    .  . 0 "[    .    1    .    2]" 
        14 . 1  10 THR N 1  10 THR CA 1  10 THR C  1  11 ILE N   76.21  176.21  114.78  101.97  136.81    .  . 0 "[    .    1    .    2]" 
        15 . 1  10 THR C 1  11 ILE N  1  11 ILE CA 1  11 ILE C -159.21  -79.21 -100.83 -111.83 -119.24    .  . 0 "[    .    1    .    2]" 
        16 . 1  11 ILE N 1  11 ILE CA 1  11 ILE C  1  12 ALA N   76.85  176.85  130.23  123.33  141.09    .  . 0 "[    .    1    .    2]" 
        17 . 1  15 MET C 1  16 GLU N  1  16 GLU CA 1  16 GLU C -100.79  -20.79  -57.65  -69.51  -46.29    .  . 0 "[    .    1    .    2]" 
        18 . 1  16 GLU N 1  16 GLU CA 1  16 GLU C  1  17 LEU N  -89.63   10.37  -54.40  -76.90  -30.95    .  . 0 "[    .    1    .    2]" 
        19 . 1  16 GLU C 1  17 LEU N  1  17 LEU CA 1  17 LEU C -100.80  -20.80  -69.57  -71.25  -72.44    .  . 0 "[    .    1    .    2]" 
        20 . 1  17 LEU N 1  17 LEU CA 1  17 LEU C  1  18 VAL N  -92.02    7.98  -36.57  -34.76  -35.80    .  . 0 "[    .    1    .    2]" 
        21 . 1  17 LEU C 1  18 VAL N  1  18 VAL CA 1  18 VAL C -104.34  -24.34  -58.34  -56.94  -57.03    .  . 0 "[    .    1    .    2]" 
        22 . 1  18 VAL N 1  18 VAL CA 1  18 VAL C  1  19 TRP N  -95.10    4.90  -50.57  -60.99  -40.69    .  . 0 "[    .    1    .    2]" 
        23 . 1  18 VAL C 1  19 TRP N  1  19 TRP CA 1  19 TRP C -102.34  -22.34  -63.34  -65.93  -66.38    .  . 0 "[    .    1    .    2]" 
        24 . 1  19 TRP N 1  19 TRP CA 1  19 TRP C  1  20 THR N  -93.58    6.42  -47.66  -50.94  -53.43    .  . 0 "[    .    1    .    2]" 
        25 . 1  19 TRP C 1  20 THR N  1  20 THR CA 1  20 THR C -104.39  -24.39  -62.28  -70.97  -51.68    .  . 0 "[    .    1    .    2]" 
        26 . 1  20 THR N 1  20 THR CA 1  20 THR C  1  21 MET N  -92.50    7.50  -34.00  -24.48  -26.87    .  . 0 "[    .    1    .    2]" 
        27 . 1  20 THR C 1  21 MET N  1  21 MET CA 1  21 MET C  -99.81  -19.81  -79.69  -93.34  -63.91    .  . 0 "[    .    1    .    2]" 
        28 . 1  21 MET N 1  21 MET CA 1  21 MET C  1  22 THR N  -93.55    6.45  -39.42  -48.51  -24.41    .  . 0 "[    .    1    .    2]" 
        29 . 1  21 MET C 1  22 THR N  1  22 THR CA 1  22 THR C -107.46  -27.46  -79.56  -90.17  -67.48    .  . 0 "[    .    1    .    2]" 
        30 . 1  22 THR N 1  22 THR CA 1  22 THR C  1  23 ASN N  -75.54   24.46  -21.54  -35.39   -7.24    .  . 0 "[    .    1    .    2]" 
        31 . 1  24 ASP C 1  25 ILE N  1  25 ILE CA 1  25 ILE C  -99.33  -19.33  -69.79  -66.26  -67.48    .  . 0 "[    .    1    .    2]" 
        32 . 1  25 ILE N 1  25 ILE CA 1  25 ILE C  1  26 GLU N  -93.01    6.99  -16.23  -24.92   -8.16    .  . 0 "[    .    1    .    2]" 
        33 . 1  25 ILE C 1  26 GLU N  1  26 GLU CA 1  26 GLU C -105.75  -25.75  -77.29  -85.95  -64.55    .  . 0 "[    .    1    .    2]" 
        34 . 1  26 GLU N 1  26 GLU CA 1  26 GLU C  1  27 LYS N  -81.59   18.41   -7.39    3.07   -0.95    .  . 0 "[    .    1    .    2]" 
        35 . 1  37 SER C 1  38 VAL N  1  38 VAL CA 1  38 VAL C -166.91  -86.91 -110.66 -118.15 -121.08    .  . 0 "[    .    1    .    2]" 
        36 . 1  38 VAL N 1  38 VAL CA 1  38 VAL C  1  39 GLU N   87.03 -172.97  103.64  106.04  104.53    .  . 0 "[    .    1    .    2]" 
        37 . 1  38 VAL C 1  39 GLU N  1  39 GLU CA 1  39 GLU C -174.01  -94.01 -100.48  -98.73 -100.12 0.34 10 0 "[    .    1    .    2]" 
        38 . 1  39 GLU N 1  39 GLU CA 1  39 GLU C  1  40 VAL N   85.95 -174.05  124.98  101.32  156.04    .  . 0 "[    .    1    .    2]" 
        39 . 1  39 GLU C 1  40 VAL N  1  40 VAL CA 1  40 VAL C -125.08  -45.08  -79.66  -81.67  -84.34    .  . 0 "[    .    1    .    2]" 
        40 . 1  40 VAL N 1  40 VAL CA 1  40 VAL C  1  41 LEU N   75.54  175.54  111.26   99.46  126.38    .  . 0 "[    .    1    .    2]" 
        41 . 1  41 LEU C 1  42 GLY N  1  42 GLY CA 1  42 GLY C  117.12 -162.88  171.86  143.36 -162.87 0.01  6 0 "[    .    1    .    2]" 
        42 . 1  42 GLY N 1  42 GLY CA 1  42 GLY C  1  43 ARG N  156.26 -103.74  164.81  161.87  158.88 0.21 16 0 "[    .    1    .    2]" 
        43 . 1  47 LYS C 1  48 VAL N  1  48 VAL CA 1  48 VAL C -159.21  -79.21 -114.16 -148.38  -88.69    .  . 0 "[    .    1    .    2]" 
        44 . 1  48 VAL N 1  48 VAL CA 1  48 VAL C  1  49 THR N   74.87  174.87  116.03  116.02  114.13    .  . 0 "[    .    1    .    2]" 
        45 . 1  48 VAL C 1  49 THR N  1  49 THR CA 1  49 THR C -149.70  -69.70  -95.16  -92.41  -93.65    .  . 0 "[    .    1    .    2]" 
        46 . 1  49 THR N 1  49 THR CA 1  49 THR C  1  50 PHE N   77.23  177.23  115.46   96.51  129.86    .  . 0 "[    .    1    .    2]" 
        47 . 1  49 THR C 1  50 PHE N  1  50 PHE CA 1  50 PHE C -177.59  -97.59 -122.62 -127.31 -128.58    .  . 0 "[    .    1    .    2]" 
        48 . 1  50 PHE N 1  50 PHE CA 1  50 PHE C  1  51 ARG N  101.41 -158.59  151.09  133.59  166.60    .  . 0 "[    .    1    .    2]" 
        49 . 1  50 PHE C 1  51 ARG N  1  51 ARG CA 1  51 ARG C -159.31  -79.31 -109.28 -125.72  -97.49    .  . 0 "[    .    1    .    2]" 
        50 . 1  51 ARG N 1  51 ARG CA 1  51 ARG C  1  52 LEU N   80.12 -179.88  113.51   98.03  121.28    .  . 0 "[    .    1    .    2]" 
        51 . 1  51 ARG C 1  52 LEU N  1  52 LEU CA 1  52 LEU C -153.77  -73.77  -85.54  -81.78  -82.64    .  . 0 "[    .    1    .    2]" 
        52 . 1  52 LEU N 1  52 LEU CA 1  52 LEU C  1  53 THR N   82.35 -177.65  106.93  106.10  104.90    .  . 0 "[    .    1    .    2]" 
        53 . 1  52 LEU C 1  53 THR N  1  53 THR CA 1  53 THR C -147.35  -67.35  -97.58 -102.40 -102.96    .  . 0 "[    .    1    .    2]" 
        54 . 1  53 THR N 1  53 THR CA 1  53 THR C  1  54 MET N   78.91  178.91  114.84   96.50  128.61    .  . 0 "[    .    1    .    2]" 
        55 . 1  57 ASP C 1  58 ALA N  1  58 ALA CA 1  58 ALA C  -97.38  -17.38  -61.95  -58.75  -60.74    .  . 0 "[    .    1    .    2]" 
        56 . 1  58 ALA N 1  58 ALA CA 1  58 ALA C  1  59 ASP N  -79.65   20.35  -25.20  -34.77  -13.93    .  . 0 "[    .    1    .    2]" 
        57 . 1  58 ALA C 1  59 ASP N  1  59 ASP CA 1  59 ASP C -135.55  -55.55  -73.74  -86.17  -96.46    .  . 0 "[    .    1    .    2]" 
        58 . 1  59 ASP N 1  59 ASP CA 1  59 ASP C  1  60 GLY N  -45.63   54.37  -18.27  -34.53   -2.32    .  . 0 "[    .    1    .    2]" 
        59 . 1  61 LYS C 1  62 VAL N  1  62 VAL CA 1  62 VAL C -130.19  -50.19  -89.72 -111.57  -74.96    .  . 0 "[    .    1    .    2]" 
        60 . 1  62 VAL N 1  62 VAL CA 1  62 VAL C  1  63 TRP N   79.26  179.26  115.05   99.73  134.92    .  . 0 "[    .    1    .    2]" 
        61 . 1  62 VAL C 1  63 TRP N  1  63 TRP CA 1  63 TRP C -147.19  -67.19  -81.44  -89.82 -100.64    .  . 0 "[    .    1    .    2]" 
        62 . 1  63 TRP N 1  63 TRP CA 1  63 TRP C  1  64 SER N   84.21 -175.79  106.88   83.93 -175.25 0.54 20 0 "[    .    1    .    2]" 
        63 . 1  63 TRP C 1  64 SER N  1  64 SER CA 1  64 SER C -166.59  -86.59 -131.69 -140.58 -146.06 0.25 20 0 "[    .    1    .    2]" 
        64 . 1  64 SER N 1  64 SER CA 1  64 SER C  1  65 TRP N   99.34 -160.66  123.87  101.62  173.78    .  . 0 "[    .    1    .    2]" 
        65 . 1  64 SER C 1  65 TRP N  1  65 TRP CA 1  65 TRP C -178.10  -98.10 -127.43 -144.49 -147.59    .  . 0 "[    .    1    .    2]" 
        66 . 1  65 TRP N 1  65 TRP CA 1  65 TRP C  1  66 VAL N   97.99 -162.01  147.15  119.43  171.63    .  . 0 "[    .    1    .    2]" 
        67 . 1  65 TRP C 1  66 VAL N  1  66 VAL CA 1  66 VAL C -150.06  -70.06  -90.27  -83.11  -85.76    .  . 0 "[    .    1    .    2]" 
        68 . 1  66 VAL N 1  66 VAL CA 1  66 VAL C  1  67 SER N   82.82 -177.18  130.59  110.53  144.64    .  . 0 "[    .    1    .    2]" 
        69 . 1  66 VAL C 1  67 SER N  1  67 SER CA 1  67 SER C -177.80  -97.80 -136.61 -146.03 -126.16    .  . 0 "[    .    1    .    2]" 
        70 . 1  67 SER N 1  67 SER CA 1  67 SER C  1  68 GLU N  101.71 -158.29  146.25  147.47  146.43    .  . 0 "[    .    1    .    2]" 
        71 . 1  67 SER C 1  68 GLU N  1  68 GLU CA 1  68 GLU C -161.41  -81.41 -111.37 -131.05  -99.01    .  . 0 "[    .    1    .    2]" 
        72 . 1  68 GLU N 1  68 GLU CA 1  68 GLU C  1  69 ARG N   94.83 -165.17  127.31  123.19  121.10    .  . 0 "[    .    1    .    2]" 
        73 . 1  68 GLU C 1  69 ARG N  1  69 ARG CA 1  69 ARG C  178.16 -101.84 -112.29 -103.42 -105.28 0.10  2 0 "[    .    1    .    2]" 
        74 . 1  69 ARG N 1  69 ARG CA 1  69 ARG C  1  70 VAL N   89.55 -170.45  119.43  102.16  142.84    .  . 0 "[    .    1    .    2]" 
        75 . 1  69 ARG C 1  70 VAL N  1  70 VAL CA 1  70 VAL C -163.14  -83.14 -103.42  -91.77  -93.93    .  . 0 "[    .    1    .    2]" 
        76 . 1  70 VAL N 1  70 VAL CA 1  70 VAL C  1  71 ALA N   78.32  178.32  114.61   97.66  137.63    .  . 0 "[    .    1    .    2]" 
        77 . 1  70 VAL C 1  71 ALA N  1  71 ALA CA 1  71 ALA C -156.79  -76.79 -103.51 -119.36  -91.65    .  . 0 "[    .    1    .    2]" 
        78 . 1  71 ALA N 1  71 ALA CA 1  71 ALA C  1  72 ASP N   81.22 -178.78  107.80   96.36  130.16    .  . 0 "[    .    1    .    2]" 
        79 . 1  71 ALA C 1  72 ASP N  1  72 ASP CA 1  72 ASP C -154.88  -74.88 -102.70 -104.95 -105.41    .  . 0 "[    .    1    .    2]" 
        80 . 1  72 ASP N 1  72 ASP CA 1  72 ASP C  1  73 PRO N   85.99 -174.01  107.60   99.40   92.34    .  . 0 "[    .    1    .    2]" 
        81 . 1  73 PRO C 1  74 VAL N  1  74 VAL CA 1  74 VAL C -103.77  -23.77  -73.52  -84.35  -64.90    .  . 0 "[    .    1    .    2]" 
        82 . 1  74 VAL N 1  74 VAL CA 1  74 VAL C  1  75 THR N  -85.96   14.04  -49.88  -56.34  -39.82    .  . 0 "[    .    1    .    2]" 
        83 . 1  77 THR C 1  78 VAL N  1  78 VAL CA 1  78 VAL C -157.44  -77.44 -109.65 -123.42  -92.91    .  . 0 "[    .    1    .    2]" 
        84 . 1  78 VAL N 1  78 VAL CA 1  78 VAL C  1  79 ARG N   78.40  178.40  118.33  136.12  131.52    .  . 0 "[    .    1    .    2]" 
        85 . 1  78 VAL C 1  79 ARG N  1  79 ARG CA 1  79 ARG C -159.16  -79.16 -104.82 -110.96 -111.73    .  . 0 "[    .    1    .    2]" 
        86 . 1  79 ARG N 1  79 ARG CA 1  79 ARG C  1  80 ALA N   82.21 -177.79  111.84  106.47  104.15    .  . 0 "[    .    1    .    2]" 
        87 . 1  79 ARG C 1  80 ALA N  1  80 ALA CA 1  80 ALA C -168.47  -88.47 -108.41 -101.52 -104.01    .  . 0 "[    .    1    .    2]" 
        88 . 1  80 ALA N 1  80 ALA CA 1  80 ALA C  1  81 GLN N   91.71 -168.29  103.50   91.74  121.56    .  . 0 "[    .    1    .    2]" 
        89 . 1  80 ALA C 1  81 GLN N  1  81 GLN CA 1  81 GLN C -165.81  -85.81  -98.69  -95.58  -97.70    .  . 0 "[    .    1    .    2]" 
        90 . 1  81 GLN N 1  81 GLN CA 1  81 GLN C  1  82 ARG N   93.33 -166.67  131.57  116.46  142.14    .  . 0 "[    .    1    .    2]" 
        91 . 1  81 GLN C 1  82 ARG N  1  82 ARG CA 1  82 ARG C -163.61  -83.61  -92.07  -85.04  -89.24    .  . 0 "[    .    1    .    2]" 
        92 . 1  82 ARG N 1  82 ARG CA 1  82 ARG C  1  83 VAL N   89.51 -170.49  112.05   95.88  135.37    .  . 0 "[    .    1    .    2]" 
        93 . 1  91 MET C 1  92 ASN N  1  92 ASN CA 1  92 ASN C -152.02  -72.02 -119.50 -134.92 -100.03    .  . 0 "[    .    1    .    2]" 
        94 . 1  92 ASN N 1  92 ASN CA 1  92 ASN C  1  93 ILE N   77.40  177.40  112.26   96.76  133.19    .  . 0 "[    .    1    .    2]" 
        95 . 1  92 ASN C 1  93 ILE N  1  93 ILE CA 1  93 ILE C -163.92  -83.92  -98.57  -95.28  -97.93    .  . 0 "[    .    1    .    2]" 
        96 . 1  93 ILE N 1  93 ILE CA 1  93 ILE C  1  94 VAL N   79.17  179.17  108.22  111.82  108.46    .  . 0 "[    .    1    .    2]" 
        97 . 1  93 ILE C 1  94 VAL N  1  94 VAL CA 1  94 VAL C -160.42  -80.42  -98.17  -94.67  -98.25    .  . 0 "[    .    1    .    2]" 
        98 . 1  94 VAL N 1  94 VAL CA 1  94 VAL C  1  95 TRP N   78.87  178.87  113.65  114.97  113.22    .  . 0 "[    .    1    .    2]" 
        99 . 1  94 VAL C 1  95 TRP N  1  95 TRP CA 1  95 TRP C -160.39  -80.39  -94.00  -97.67  -98.26    .  . 0 "[    .    1    .    2]" 
       100 . 1  95 TRP N 1  95 TRP CA 1  95 TRP C  1  96 GLU N   83.34 -176.66   99.32   83.32  111.39 0.02 19 0 "[    .    1    .    2]" 
       101 . 1  95 TRP C 1  96 GLU N  1  96 GLU CA 1  96 GLU C -164.83  -84.83  -97.85  -92.10  -94.98    .  . 0 "[    .    1    .    2]" 
       102 . 1  96 GLU N 1  96 GLU CA 1  96 GLU C  1  97 TYR N   91.04 -168.96  122.67  109.69  136.87    .  . 0 "[    .    1    .    2]" 
       103 . 1  96 GLU C 1  97 TYR N  1  97 TYR CA 1  97 TYR C -170.35  -90.35 -100.41  -95.12  -97.57    .  . 0 "[    .    1    .    2]" 
       104 . 1  97 TYR N 1  97 TYR CA 1  97 TYR C  1  98 ALA N   94.04 -165.96  117.06  109.20  128.70    .  . 0 "[    .    1    .    2]" 
       105 . 1  97 TYR C 1  98 ALA N  1  98 ALA CA 1  98 ALA C  173.87 -106.13 -108.61 -124.20 -105.61 0.52  9 0 "[    .    1    .    2]" 
       106 . 1  98 ALA N 1  98 ALA CA 1  98 ALA C  1  99 GLU N   93.10 -166.90  123.40  112.28  109.16    .  . 0 "[    .    1    .    2]" 
       107 . 1  98 ALA C 1  99 GLU N  1  99 GLU CA 1  99 GLU C -133.05  -53.05  -73.38  -66.86  -67.61    .  . 0 "[    .    1    .    2]" 
       108 . 1  99 GLU N 1  99 GLU CA 1  99 GLU C  1 100 THR N   85.70 -174.30  117.49  121.86  115.55    .  . 0 "[    .    1    .    2]" 
       109 . 1  99 GLU C 1 100 THR N  1 100 THR CA 1 100 THR C -150.77  -70.77 -129.13 -147.27 -113.32    .  . 0 "[    .    1    .    2]" 
       110 . 1 100 THR N 1 100 THR CA 1 100 THR C  1 101 ALA N  119.73 -140.27  158.59  150.70  169.44    .  . 0 "[    .    1    .    2]" 
       111 . 1 101 ALA C 1 102 GLU N  1 102 GLU CA 1 102 GLU C -128.09  -48.09  -92.95 -115.08  -70.65    .  . 0 "[    .    1    .    2]" 
       112 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C  1 103 GLY N  -59.30   40.70   -8.50  -18.46  -21.27    .  . 0 "[    .    1    .    2]" 
       113 . 1 102 GLU C 1 103 GLY N  1 103 GLY CA 1 103 GLY C  129.47 -150.53  146.32  129.46 -166.68 0.01 19 0 "[    .    1    .    2]" 
       114 . 1 103 GLY N 1 103 GLY CA 1 103 GLY C  1 104 THR N   90.59 -169.41 -169.84 -169.32 -169.37 0.41 18 0 "[    .    1    .    2]" 
       115 . 1 103 GLY C 1 104 THR N  1 104 THR CA 1 104 THR C -160.44  -80.44  -91.36 -115.78  -79.89 0.55  1 0 "[    .    1    .    2]" 
       116 . 1 104 THR N 1 104 THR CA 1 104 THR C  1 105 VAL N   79.00  179.00  112.83  111.04  109.47    .  . 0 "[    .    1    .    2]" 
       117 . 1 104 THR C 1 105 VAL N  1 105 VAL CA 1 105 VAL C -158.58  -78.58  -85.24  -92.19  -78.57 0.01  4 0 "[    .    1    .    2]" 
       118 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C  1 106 MET N   78.18  178.18  107.79   93.94  121.10    .  . 0 "[    .    1    .    2]" 
       119 . 1 105 VAL C 1 106 MET N  1 106 MET CA 1 106 MET C -164.08  -84.08  -95.89  -93.21  -94.08 0.20  4 0 "[    .    1    .    2]" 
       120 . 1 106 MET N 1 106 MET CA 1 106 MET C  1 107 ARG N   80.39 -179.61  118.71  118.64  118.35    .  . 0 "[    .    1    .    2]" 
       121 . 1 106 MET C 1 107 ARG N  1 107 ARG CA 1 107 ARG C -147.59  -67.59 -102.41 -104.42 -105.68    .  . 0 "[    .    1    .    2]" 
       122 . 1 107 ARG N 1 107 ARG CA 1 107 ARG C  1 108 TRP N   83.80 -176.20  113.50   98.15  129.07    .  . 0 "[    .    1    .    2]" 
       123 . 1 107 ARG C 1 108 TRP N  1 108 TRP CA 1 108 TRP C -152.86  -72.86  -89.95  -92.57  -96.00    .  . 0 "[    .    1    .    2]" 
       124 . 1 108 TRP N 1 108 TRP CA 1 108 TRP C  1 109 THR N   76.56  176.56   87.00   79.13   92.25    .  . 0 "[    .    1    .    2]" 
       125 . 1 108 TRP C 1 109 THR N  1 109 THR CA 1 109 THR C -155.38  -75.38  -87.46  -87.64  -87.99    .  . 0 "[    .    1    .    2]" 
       126 . 1 109 THR N 1 109 THR CA 1 109 THR C  1 110 GLN N   77.39  177.39   97.78   88.06  108.28    .  . 0 "[    .    1    .    2]" 
       127 . 1 109 THR C 1 110 GLN N  1 110 GLN CA 1 110 GLN C -168.85  -88.85  -93.55  -94.44  -95.39    .  . 0 "[    .    1    .    2]" 
       128 . 1 110 GLN N 1 110 GLN CA 1 110 GLN C  1 111 ASP N   90.92 -169.08  104.73  106.10  104.78    .  . 0 "[    .    1    .    2]" 
       129 . 1 111 ASP C 1 112 PHE N  1 112 PHE CA 1 112 PHE C -175.29  -95.29 -121.74 -135.33 -108.80    .  . 0 "[    .    1    .    2]" 
       130 . 1 112 PHE N 1 112 PHE CA 1 112 PHE C  1 113 ALA N  102.89 -157.11  147.56  154.86  148.91    .  . 0 "[    .    1    .    2]" 
       131 . 1 112 PHE C 1 113 ALA N  1 113 ALA CA 1 113 ALA C -169.58  -89.58 -125.25 -153.66  -89.69    .  . 0 "[    .    1    .    2]" 
       132 . 1 113 ALA N 1 113 ALA CA 1 113 ALA C  1 114 MET N   92.42 -167.58  123.57  121.02  116.80    .  . 0 "[    .    1    .    2]" 
       133 . 1 122 ASP C 1 123 ALA N  1 123 ALA CA 1 123 ALA C -104.62  -24.62  -62.76  -74.04  -53.45    .  . 0 "[    .    1    .    2]" 
       134 . 1 122 ASP C 1 123 ALA N  1 123 ALA CA 1 123 ALA C  -84.62  -44.62  -62.76  -74.04  -53.45    .  . 0 "[    .    1    .    2]" 
       135 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C  1 124 TRP N  -72.15  -12.15  -35.47  -48.12  -13.41    .  . 0 "[    .    1    .    2]" 
       136 . 1 123 ALA C 1 124 TRP N  1 124 TRP CA 1 124 TRP C  -83.91  -43.91  -63.99  -74.27  -52.00    .  . 0 "[    .    1    .    2]" 
       137 . 1 124 TRP N 1 124 TRP CA 1 124 TRP C  1 125 MET N  -77.33  -17.33  -43.04  -37.06  -39.57    .  . 0 "[    .    1    .    2]" 
       138 . 1 124 TRP C 1 125 MET N  1 125 MET CA 1 125 MET C  -85.70  -45.70  -68.75  -62.53  -65.47    .  . 0 "[    .    1    .    2]" 
       139 . 1 125 MET N 1 125 MET CA 1 125 MET C  1 126 THR N  -67.76   -7.76  -40.94  -42.38  -46.99    .  . 0 "[    .    1    .    2]" 
       140 . 1 125 MET C 1 126 THR N  1 126 THR CA 1 126 THR C  -84.78  -44.78  -55.77  -60.72  -51.96    .  . 0 "[    .    1    .    2]" 
       141 . 1 126 THR N 1 126 THR CA 1 126 THR C  1 127 ASP N  -75.12  -15.12  -45.64  -53.42  -37.26    .  . 0 "[    .    1    .    2]" 
       142 . 1 126 THR C 1 127 ASP N  1 127 ASP CA 1 127 ASP C  -82.41  -42.41  -67.18  -57.22  -57.79    .  . 0 "[    .    1    .    2]" 
       143 . 1 127 ASP N 1 127 ASP CA 1 127 ASP C  1 128 ASN N  -70.96  -10.96  -43.50  -55.22  -26.66    .  . 0 "[    .    1    .    2]" 
       144 . 1 127 ASP C 1 128 ASN N  1 128 ASN CA 1 128 ASN C  -84.79  -44.79  -62.52  -63.16  -64.81    .  . 0 "[    .    1    .    2]" 
       145 . 1 128 ASN N 1 128 ASN CA 1 128 ASN C  1 129 ILE N  -74.76  -14.76  -44.87  -53.64  -33.33    .  . 0 "[    .    1    .    2]" 
       146 . 1 128 ASN C 1 129 ILE N  1 129 ILE CA 1 129 ILE C  -82.13  -42.13  -62.19  -60.98  -61.69    .  . 0 "[    .    1    .    2]" 
       147 . 1 129 ILE N 1 129 ILE CA 1 129 ILE C  1 130 ASN N  -72.58  -12.58  -41.95  -42.54  -45.98    .  . 0 "[    .    1    .    2]" 
       148 . 1 129 ILE C 1 130 ASN N  1 130 ASN CA 1 130 ASN C  -84.48  -44.48  -55.31  -60.66  -47.88    .  . 0 "[    .    1    .    2]" 
       149 . 1 130 ASN N 1 130 ASN CA 1 130 ASN C  1 131 ARG N  -71.98  -11.98  -49.71  -62.01  -38.34    .  . 0 "[    .    1    .    2]" 
       150 . 1 130 ASN C 1 131 ARG N  1 131 ARG CA 1 131 ARG C  -85.09  -45.09  -65.68  -74.82  -58.19    .  . 0 "[    .    1    .    2]" 
       151 . 1 131 ARG N 1 131 ARG CA 1 131 ARG C  1 132 ASN N  -71.75  -11.75  -50.39  -67.19  -38.75    .  . 0 "[    .    1    .    2]" 
       152 . 1 131 ARG C 1 132 ASN N  1 132 ASN CA 1 132 ASN C  -85.42  -45.42  -63.25  -65.14  -66.07    .  . 0 "[    .    1    .    2]" 
       153 . 1 132 ASN N 1 132 ASN CA 1 132 ASN C  1 133 SER N  -70.52  -10.52  -47.99  -58.07  -32.03    .  . 0 "[    .    1    .    2]" 
       154 . 1 132 ASN C 1 133 SER N  1 133 SER CA 1 133 SER C  -83.64  -43.64  -64.16  -69.72  -58.97    .  . 0 "[    .    1    .    2]" 
       155 . 1 133 SER N 1 133 SER CA 1 133 SER C  1 134 ARG N  -71.96  -11.96  -42.24  -40.62  -42.24    .  . 0 "[    .    1    .    2]" 
       156 . 1 133 SER C 1 134 ARG N  1 134 ARG CA 1 134 ARG C  -86.07  -46.07  -58.00  -56.46  -57.84    .  . 0 "[    .    1    .    2]" 
       157 . 1 134 ARG N 1 134 ARG CA 1 134 ARG C  1 135 THR N  -68.95   -8.95  -42.71  -54.05  -32.87    .  . 0 "[    .    1    .    2]" 
       158 . 1 134 ARG C 1 135 THR N  1 135 THR CA 1 135 THR C  -88.45  -48.45  -66.66  -71.78  -59.47    .  . 0 "[    .    1    .    2]" 
       159 . 1 135 THR N 1 135 THR CA 1 135 THR C  1 136 GLN N  -72.04  -12.04  -49.05  -47.82  -49.47    .  . 0 "[    .    1    .    2]" 
       160 . 1 135 THR C 1 136 GLN N  1 136 GLN CA 1 136 GLN C  -83.64  -43.64  -67.06  -65.77  -67.45    .  . 0 "[    .    1    .    2]" 
       161 . 1 136 GLN N 1 136 GLN CA 1 136 GLN C  1 137 MET N  -68.71   -8.71  -42.91  -57.59  -33.52    .  . 0 "[    .    1    .    2]" 
       162 . 1 136 GLN C 1 137 MET N  1 137 MET CA 1 137 MET C  -85.16  -45.16  -69.03  -78.98  -61.05    .  . 0 "[    .    1    .    2]" 
       163 . 1 137 MET N 1 137 MET CA 1 137 MET C  1 138 ALA N  -71.54  -11.54  -29.50  -31.09  -33.22    .  . 0 "[    .    1    .    2]" 
       164 . 1 137 MET C 1 138 ALA N  1 138 ALA CA 1 138 ALA C  -81.09  -41.09  -64.75  -65.56  -67.86    .  . 0 "[    .    1    .    2]" 
       165 . 1 138 ALA N 1 138 ALA CA 1 138 ALA C  1 139 LEU N  -68.61   -8.61  -41.70  -46.91  -36.67    .  . 0 "[    .    1    .    2]" 
       166 . 1 138 ALA C 1 139 LEU N  1 139 LEU CA 1 139 LEU C  -85.22  -45.22  -61.72  -71.64  -55.70    .  . 0 "[    .    1    .    2]" 
       167 . 1 139 LEU N 1 139 LEU CA 1 139 LEU C  1 140 ILE N  -70.12  -10.12  -47.09  -50.17  -51.24    .  . 0 "[    .    1    .    2]" 
       168 . 1 139 LEU C 1 140 ILE N  1 140 ILE CA 1 140 ILE C  -85.89  -45.89  -63.62  -62.35  -63.10    .  . 0 "[    .    1    .    2]" 
       169 . 1 140 ILE N 1 140 ILE CA 1 140 ILE C  1 141 ARG N  -74.81  -14.81  -43.72  -49.56  -37.32    .  . 0 "[    .    1    .    2]" 
       170 . 1 140 ILE C 1 141 ARG N  1 141 ARG CA 1 141 ARG C  -78.91  -38.91  -55.20  -61.66  -49.71    .  . 0 "[    .    1    .    2]" 
       171 . 1 141 ARG N 1 141 ARG CA 1 141 ARG C  1 142 ASP N  -73.03  -13.03  -49.14  -52.55  -56.34    .  . 0 "[    .    1    .    2]" 
       172 . 1 141 ARG C 1 142 ASP N  1 142 ASP CA 1 142 ASP C  -83.23  -43.23  -60.24  -65.36  -68.37    .  . 0 "[    .    1    .    2]" 
       173 . 1 142 ASP N 1 142 ASP CA 1 142 ASP C  1 143 ARG N  -69.96   -9.96  -41.61  -55.04  -21.52    .  . 0 "[    .    1    .    2]" 
       174 . 1 142 ASP C 1 143 ARG N  1 143 ARG CA 1 143 ARG C  -86.81  -46.81  -68.42  -86.78  -52.40    .  . 0 "[    .    1    .    2]" 
       175 . 1 143 ARG N 1 143 ARG CA 1 143 ARG C  1 144 ILE N  -73.62  -13.62  -43.28  -45.50  -48.67    .  . 0 "[    .    1    .    2]" 
       176 . 1 143 ARG C 1 144 ILE N  1 144 ILE CA 1 144 ILE C  -88.21  -48.21  -66.14  -72.02  -76.32    .  . 0 "[    .    1    .    2]" 
       177 . 1 144 ILE N 1 144 ILE CA 1 144 ILE C  1 145 GLU N  -73.67  -13.67  -42.71  -53.09  -27.38    .  . 0 "[    .    1    .    2]" 
       178 . 1 144 ILE C 1 145 GLU N  1 145 GLU CA 1 145 GLU C  -81.44  -41.44  -66.16  -74.82  -59.73    .  . 0 "[    .    1    .    2]" 
       179 . 1 145 GLU N 1 145 GLU CA 1 145 GLU C  1 146 GLN N  -69.62   -9.62  -36.28  -35.38  -37.52    .  . 0 "[    .    1    .    2]" 
       180 . 1 145 GLU C 1 146 GLN N  1 146 GLN CA 1 146 GLN C  -87.62  -47.62  -63.81  -62.13  -62.64    .  . 0 "[    .    1    .    2]" 
       181 . 1 146 GLN N 1 146 GLN CA 1 146 GLN C  1 147 ALA N  -71.87  -11.87  -46.20  -54.76  -32.86    .  . 0 "[    .    1    .    2]" 
       182 . 1 146 GLN C 1 147 ALA N  1 147 ALA CA 1 147 ALA C  -83.44  -43.44  -65.50  -67.04  -67.07    .  . 0 "[    .    1    .    2]" 
       183 . 1 147 ALA N 1 147 ALA CA 1 147 ALA C  1 148 ALA N  -73.88  -13.88  -39.78  -38.23  -38.55    .  . 0 "[    .    1    .    2]" 
       184 . 1 147 ALA C 1 148 ALA N  1 148 ALA CA 1 148 ALA C  -85.53  -45.53  -70.30  -72.36  -73.41    .  . 0 "[    .    1    .    2]" 
    stop_

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