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
518563 2lgr 15593 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2lgr


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              180
    _TA_constraint_stats_list.Viol_count                    917
    _TA_constraint_stats_list.Viol_total                    17957.71
    _TA_constraint_stats_list.Viol_max                      4.86
    _TA_constraint_stats_list.Viol_rms                      0.62
    _TA_constraint_stats_list.Viol_average_all_restraints   0.25
    _TA_constraint_stats_list.Viol_average_violations_only  0.98
    _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  21 ARG C 1  22 ILE N  1  22 ILE CA 1  22 ILE C -136.00  -84.00  -99.25 -121.26  -82.50 1.50  8 0 "[    .    1    .    2]" 
         2 PSI 1  22 ILE N 1  22 ILE CA 1  22 ILE C  1  23 THR N  123.00  149.00  125.71  121.18  136.91 1.82 10 0 "[    .    1    .    2]" 
         3 PHI 1  22 ILE C 1  23 THR N  1  23 THR CA 1  23 THR C -143.00 -101.00 -118.72 -121.49 -124.01 1.26  8 0 "[    .    1    .    2]" 
         4 PSI 1  23 THR N 1  23 THR CA 1  23 THR C  1  24 TYR N  122.00  142.00  129.24  135.51  133.80 0.47 17 0 "[    .    1    .    2]" 
         5 PHI 1  23 THR C 1  24 TYR N  1  24 TYR CA 1  24 TYR C -131.00  -87.00  -98.60 -104.98  -89.18    .  . 0 "[    .    1    .    2]" 
         6 PSI 1  24 TYR N 1  24 TYR CA 1  24 TYR C  1  25 VAL N  121.00  141.00  126.54  128.55  127.55 0.94  6 0 "[    .    1    .    2]" 
         7 PHI 1  24 TYR C 1  25 VAL N  1  25 VAL CA 1  25 VAL C -142.00 -114.00 -129.63 -139.49 -116.93    .  . 0 "[    .    1    .    2]" 
         8 PSI 1  25 VAL N 1  25 VAL CA 1  25 VAL C  1  26 LYS N  122.00  142.00  134.19  126.99  125.61 0.50 12 0 "[    .    1    .    2]" 
         9 PHI 1  25 VAL C 1  26 LYS N  1  26 LYS CA 1  26 LYS C -113.00  -81.00  -94.49 -113.71  -82.22 0.71  3 0 "[    .    1    .    2]" 
        10 PSI 1  26 LYS N 1  26 LYS CA 1  26 LYS C  1  27 GLY N  114.00  140.00  120.33  112.45  139.92 1.55 10 0 "[    .    1    .    2]" 
        11 PHI 1  30 PHE C 1  31 ALA N  1  31 ALA CA 1  31 ALA C -115.00  -89.00  -92.76 -109.91  -88.03 0.97  6 0 "[    .    1    .    2]" 
        12 PSI 1  31 ALA N 1  31 ALA CA 1  31 ALA C  1  32 CYS N  -11.00   19.00   11.10  -11.53   19.79 0.79  4 0 "[    .    1    .    2]" 
        13 PHI 1  33 PRO C 1  34 LYS N  1  34 LYS CA 1  34 LYS C  -73.00  -53.00  -71.29  -75.43  -60.41 2.43 13 0 "[    .    1    .    2]" 
        14 PSI 1  34 LYS N 1  34 LYS CA 1  34 LYS C  1  35 THR N  -35.00  -15.00  -17.72  -16.52  -23.90 2.96  7 0 "[    .    1    .    2]" 
        15 PHI 1  34 LYS C 1  35 THR N  1  35 THR CA 1  35 THR C -107.00  -77.00  -78.95  -79.61  -80.40 3.66  7 0 "[    .    1    .    2]" 
        16 PSI 1  35 THR N 1  35 THR CA 1  35 THR C  1  36 ASP N  -14.00    6.00  -15.76  -16.84  -14.65 2.84  6 0 "[    .    1    .    2]" 
        17 PHI 1  37 SER C 1  38 LEU N  1  38 LEU CA 1  38 LEU C -155.00 -123.00 -125.31 -138.07 -119.57 3.43  6 0 "[    .    1    .    2]" 
        18 PSI 1  38 LEU N 1  38 LEU CA 1  38 LEU C  1  39 ALA N  142.00  168.00  140.98  140.54  142.31 1.46 17 0 "[    .    1    .    2]" 
        19 PHI 1  38 LEU C 1  39 ALA N  1  39 ALA CA 1  39 ALA C -155.00 -133.00 -134.28 -133.96 -136.37 1.79  5 0 "[    .    1    .    2]" 
        20 PSI 1  39 ALA N 1  39 ALA CA 1  39 ALA C  1  40 HIS N  132.00  162.00  153.50  157.70  155.62 0.11 14 0 "[    .    1    .    2]" 
        21 PHI 1  39 ALA C 1  40 HIS N  1  40 HIS CA 1  40 HIS C -168.00 -118.00 -157.73 -156.51 -168.24 1.18 11 0 "[    .    1    .    2]" 
        22 PSI 1  40 HIS N 1  40 HIS CA 1  40 HIS C  1  41 CYS N  131.00  171.00  166.24  154.62  171.79 0.79  5 0 "[    .    1    .    2]" 
        23 PHI 1  40 HIS C 1  41 CYS N  1  41 CYS CA 1  41 CYS C -131.00 -101.00 -105.10 -118.18  -99.25 1.75  1 0 "[    .    1    .    2]" 
        24 PSI 1  41 CYS N 1  41 CYS CA 1  41 CYS C  1  42 ILE N  135.00  163.00  137.43  132.13  152.43 2.87  8 0 "[    .    1    .    2]" 
        25 PHI 1  41 CYS C 1  42 ILE N  1  42 ILE CA 1  42 ILE C -144.00 -124.00 -143.18 -145.59 -135.93 1.59 20 0 "[    .    1    .    2]" 
        26 PSI 1  42 ILE N 1  42 ILE CA 1  42 ILE C  1  43 SER N  146.00  168.00  170.99  169.86  172.24 4.24  8 0 "[    .    1    .    2]" 
        27 PHI 1  43 SER C 1  44 GLU N  1  44 GLU CA 1  44 GLU C  -71.00  -51.00  -67.24  -64.63  -66.53 1.27 12 0 "[    .    1    .    2]" 
        28 PSI 1  44 GLU N 1  44 GLU CA 1  44 GLU C  1  45 ASP N  -39.00  -11.00  -27.13  -40.04  -10.76 1.04  7 0 "[    .    1    .    2]" 
        29 PHI 1  44 GLU C 1  45 ASP N  1  45 ASP CA 1  45 ASP C -110.00  -72.00  -85.62 -100.30  -71.78 0.22 19 0 "[    .    1    .    2]" 
        30 PSI 1  45 ASP N 1  45 ASP CA 1  45 ASP C  1  46 CYS N  -24.00   16.00   -6.88  -11.22  -13.92    .  . 0 "[    .    1    .    2]" 
        31 PHI 1  46 CYS C 1  47 ARG N  1  47 ARG CA 1  47 ARG C  -72.00  -52.00  -69.71  -75.41  -55.36 3.41  2 0 "[    .    1    .    2]" 
        32 PSI 1  49 GLY N 1  49 GLY CA 1  49 GLY C  1  50 ALA N  -21.00   27.00  -16.45  -25.82    9.74 4.82  5 0 "[    .    1    .    2]" 
        33 PHI 1  49 GLY C 1  50 ALA N  1  50 ALA CA 1  50 ALA C -148.00  -94.00 -146.88 -148.48 -148.84 3.17 15 0 "[    .    1    .    2]" 
        34 PSI 1  50 ALA N 1  50 ALA CA 1  50 ALA C  1  51 GLY N  133.00  171.00  165.36  143.37  172.43 1.43 13 0 "[    .    1    .    2]" 
        35 PHI 1  51 GLY C 1  52 ILE N  1  52 ILE CA 1  52 ILE C  -80.00  -58.00  -72.45  -81.65  -62.13 1.65  9 0 "[    .    1    .    2]" 
        36 PSI 1  52 ILE N 1  52 ILE CA 1  52 ILE C  1  53 ALA N  -49.00  -13.00  -19.39  -31.91  -12.34 0.66 17 0 "[    .    1    .    2]" 
        37 PHI 1  52 ILE C 1  53 ALA N  1  53 ALA CA 1  53 ALA C  -73.00  -53.00  -63.22  -68.40  -57.99    .  . 0 "[    .    1    .    2]" 
        38 PSI 1  53 ALA N 1  53 ALA CA 1  53 ALA C  1  54 VAL N  -43.00  -23.00  -29.22  -26.82  -28.33 0.65  8 0 "[    .    1    .    2]" 
        39 PHI 1  53 ALA C 1  54 VAL N  1  54 VAL CA 1  54 VAL C  -75.00  -55.00  -63.69  -61.74  -62.88    .  . 0 "[    .    1    .    2]" 
        40 PSI 1  54 VAL N 1  54 VAL CA 1  54 VAL C  1  55 LEU N  -54.00  -34.00  -36.21  -40.64  -30.66 3.34  1 0 "[    .    1    .    2]" 
        41 PHI 1  54 VAL C 1  55 LEU N  1  55 LEU CA 1  55 LEU C  -74.00  -54.00  -65.58  -74.06  -58.50 0.06  2 0 "[    .    1    .    2]" 
        42 PSI 1  55 LEU N 1  55 LEU CA 1  55 LEU C  1  56 PHE N  -48.00  -28.00  -38.65  -37.48  -39.76    .  . 0 "[    .    1    .    2]" 
        43 PHI 1  55 LEU C 1  56 PHE N  1  56 PHE CA 1  56 PHE C  -77.00  -57.00  -72.78  -65.44  -66.73 0.90  7 0 "[    .    1    .    2]" 
        44 PSI 1  56 PHE N 1  56 PHE CA 1  56 PHE C  1  57 LYS N  -48.00  -28.00  -31.44  -44.80  -26.24 1.76  1 0 "[    .    1    .    2]" 
        45 PHI 1  56 PHE C 1  57 LYS N  1  57 LYS CA 1  57 LYS C  -75.00  -55.00  -62.49  -71.41  -53.02 1.98  1 0 "[    .    1    .    2]" 
        46 PSI 1  57 LYS N 1  57 LYS CA 1  57 LYS C  1  58 LYS N  -52.00  -32.00  -39.70  -49.17  -51.31 2.17  8 0 "[    .    1    .    2]" 
        47 PHI 1  57 LYS C 1  58 LYS N  1  58 LYS CA 1  58 LYS C  -73.00  -53.00  -71.35  -74.47  -74.97 2.41  4 0 "[    .    1    .    2]" 
        48 PSI 1  58 LYS N 1  58 LYS CA 1  58 LYS C  1  59 LYS N  -50.00  -30.00  -46.97  -52.84  -35.30 2.84  8 0 "[    .    1    .    2]" 
        49 PHI 1  58 LYS C 1  59 LYS N  1  59 LYS CA 1  59 LYS C  -83.00  -57.00  -75.71  -65.81  -66.95 2.16  8 0 "[    .    1    .    2]" 
        50 PSI 1  59 LYS N 1  59 LYS CA 1  59 LYS C  1  60 PHE N  -44.00  -20.00  -42.66  -42.02  -42.77 1.43 11 0 "[    .    1    .    2]" 
        51 PHI 1  59 LYS C 1  60 PHE N  1  60 PHE CA 1  60 PHE C -119.00  -95.00 -104.55 -112.05 -119.68 1.85  1 0 "[    .    1    .    2]" 
        52 PSI 1  60 PHE N 1  60 PHE CA 1  60 PHE C  1  61 GLY N  -22.00   18.00  -18.24  -23.62  -24.06 3.66 15 0 "[    .    1    .    2]" 
        53 PHI 1  62 GLY C 1  63 VAL N  1  63 VAL CA 1  63 VAL C  -72.00  -52.00  -64.94  -72.13  -51.01 0.99  5 0 "[    .    1    .    2]" 
        54 PSI 1  63 VAL N 1  63 VAL CA 1  63 VAL C  1  64 GLN N  -53.00  -33.00  -42.24  -39.25  -40.41    .  . 0 "[    .    1    .    2]" 
        55 PHI 1  63 VAL C 1  64 GLN N  1  64 GLN CA 1  64 GLN C  -74.00  -54.00  -67.28  -68.44  -69.27    .  . 0 "[    .    1    .    2]" 
        56 PSI 1  64 GLN N 1  64 GLN CA 1  64 GLN C  1  65 GLU N  -47.00  -27.00  -37.32  -46.94  -30.57    .  . 0 "[    .    1    .    2]" 
        57 PHI 1  64 GLN C 1  65 GLU N  1  65 GLU CA 1  65 GLU C  -77.00  -57.00  -61.75  -68.03  -56.70 0.30 20 0 "[    .    1    .    2]" 
        58 PSI 1  65 GLU N 1  65 GLU CA 1  65 GLU C  1  66 LEU N  -51.00  -23.00  -37.34  -47.61  -28.14    .  . 0 "[    .    1    .    2]" 
        59 PHI 1  65 GLU C 1  66 LEU N  1  66 LEU CA 1  66 LEU C  -73.00  -53.00  -68.90  -55.34  -60.74 1.07 14 0 "[    .    1    .    2]" 
        60 PSI 1  66 LEU N 1  66 LEU CA 1  66 LEU C  1  67 LEU N  -53.00  -33.00  -48.15  -50.94  -51.70 0.24 14 0 "[    .    1    .    2]" 
        61 PHI 1  66 LEU C 1  67 LEU N  1  67 LEU CA 1  67 LEU C  -76.00  -56.00  -66.15  -62.88  -63.41 0.35 15 0 "[    .    1    .    2]" 
        62 PSI 1  67 LEU N 1  67 LEU CA 1  67 LEU C  1  68 ASN N  -51.00  -31.00  -39.00  -45.99  -31.27    .  . 0 "[    .    1    .    2]" 
        63 PHI 1  67 LEU C 1  68 ASN N  1  68 ASN CA 1  68 ASN C  -77.00  -57.00  -65.87  -67.46  -68.66    .  . 0 "[    .    1    .    2]" 
        64 PSI 1  68 ASN N 1  68 ASN CA 1  68 ASN C  1  69 GLN N  -49.00  -15.00  -25.62  -35.60  -17.33    .  . 0 "[    .    1    .    2]" 
        65 PHI 1  68 ASN C 1  69 GLN N  1  69 GLN CA 1  69 GLN C  -77.00  -57.00  -74.83  -70.44  -72.68 1.45  1 0 "[    .    1    .    2]" 
        66 PSI 1  69 GLN N 1  69 GLN CA 1  69 GLN C  1  70 GLN N  -48.00  -10.00  -22.25  -34.67   -8.61 1.39  6 0 "[    .    1    .    2]" 
        67 PHI 1  71 LYS C 1  72 LYS N  1  72 LYS CA 1  72 LYS C -134.00  -90.00 -114.41 -135.44  -90.80 1.44 15 0 "[    .    1    .    2]" 
        68 PSI 1  72 LYS N 1  72 LYS CA 1  72 LYS C  1  73 SER N  150.00  172.00  169.12  171.85  169.50 2.18  4 0 "[    .    1    .    2]" 
        69 PHI 1  74 GLY C 1  75 GLU N  1  75 GLU CA 1  75 GLU C -142.00 -118.00 -119.28 -116.37 -116.85 2.59 10 0 "[    .    1    .    2]" 
        70 PSI 1  75 GLU N 1  75 GLU CA 1  75 GLU C  1  76 VAL N  128.00  160.00  162.96  161.16  164.74 4.74  7 0 "[    .    1    .    2]" 
        71 PHI 1  75 GLU C 1  76 VAL N  1  76 VAL CA 1  76 VAL C -150.00 -122.00 -120.67 -121.84 -118.84 3.16  7 0 "[    .    1    .    2]" 
        72 PSI 1  76 VAL N 1  76 VAL CA 1  76 VAL C  1  77 ALA N  127.00  147.00  137.02  134.34  134.14    .  . 0 "[    .    1    .    2]" 
        73 PHI 1  76 VAL C 1  77 ALA N  1  77 ALA CA 1  77 ALA C -145.00  -95.00 -100.63  -95.61  -97.00 0.57  2 0 "[    .    1    .    2]" 
        74 PSI 1  77 ALA N 1  77 ALA CA 1  77 ALA C  1  78 VAL N  125.00  145.00  141.78  136.27  129.76 1.00  4 0 "[    .    1    .    2]" 
        75 PHI 1  77 ALA C 1  78 VAL N  1  78 VAL CA 1  78 VAL C -139.00 -117.00 -127.16 -138.95 -116.54 0.46  6 0 "[    .    1    .    2]" 
        76 PSI 1  78 VAL N 1  78 VAL CA 1  78 VAL C  1  79 LEU N  134.00  158.00  138.84  133.95  146.34 0.05 12 0 "[    .    1    .    2]" 
        77 PHI 1  78 VAL C 1  79 LEU N  1  79 LEU CA 1  79 LEU C -154.00 -120.00 -121.76 -119.32 -119.49 1.16  4 0 "[    .    1    .    2]" 
        78 PSI 1  79 LEU N 1  79 LEU CA 1  79 LEU C  1  80 LYS N  125.00  159.00  132.21  130.51  125.90 0.63 19 0 "[    .    1    .    2]" 
        79 PHI 1  79 LEU C 1  80 LYS N  1  80 LYS CA 1  80 LYS C -110.00  -86.00 -101.60 -111.12  -88.91 1.12 13 0 "[    .    1    .    2]" 
        80 PSI 1  80 LYS N 1  80 LYS CA 1  80 LYS C  1  81 ARG N  115.00  135.00  128.03  128.72  128.00 0.68 13 0 "[    .    1    .    2]" 
        81 PHI 1  80 LYS C 1  81 ARG N  1  81 ARG CA 1  81 ARG C -135.00  -99.00 -115.43 -109.17 -110.30 1.83  6 0 "[    .    1    .    2]" 
        82 PHI 1  83 GLY C 1  84 ARG N  1  84 ARG CA 1  84 ARG C -139.00 -105.00 -122.50 -140.01 -103.58 1.42 11 0 "[    .    1    .    2]" 
        83 PSI 1  84 ARG N 1  84 ARG CA 1  84 ARG C  1  85 TYR N  140.00  164.00  156.92  158.92  152.78 1.67  7 0 "[    .    1    .    2]" 
        84 PHI 1  84 ARG C 1  85 TYR N  1  85 TYR CA 1  85 TYR C -135.00  -95.00 -109.14 -127.74  -94.36 0.64  7 0 "[    .    1    .    2]" 
        85 PSI 1  85 TYR N 1  85 TYR CA 1  85 TYR C  1  86 ILE N  125.00  151.00  139.68  139.98  138.99 0.81  6 0 "[    .    1    .    2]" 
        86 PHI 1  85 TYR C 1  86 ILE N  1  86 ILE CA 1  86 ILE C -148.00  -92.00 -104.86 -113.13  -98.18    .  . 0 "[    .    1    .    2]" 
        87 PSI 1  86 ILE N 1  86 ILE CA 1  86 ILE C  1  87 TYR N  124.00  156.00  123.85  122.47  127.64 1.53  4 0 "[    .    1    .    2]" 
        88 PHI 1  88 TYR C 1  89 LEU N  1  89 LEU CA 1  89 LEU C -110.00  -66.00  -75.97  -80.99  -70.85    .  . 0 "[    .    1    .    2]" 
        89 PSI 1  89 LEU N 1  89 LEU CA 1  89 LEU C  1  90 ILE N  120.00  140.00  119.99  120.04  119.88 1.44  1 0 "[    .    1    .    2]" 
        90 PHI 1  94 ARG C 1  95 ALA N  1  95 ALA CA 1  95 ALA C  -72.00  -52.00  -67.58  -73.22  -51.29 1.22  6 0 "[    .    1    .    2]" 
        91 PSI 1  95 ALA N 1  95 ALA CA 1  95 ALA C  1  96 SER N  -32.00  -10.00  -23.04  -20.79  -27.35 1.93  1 0 "[    .    1    .    2]" 
        92 PHI 1  95 ALA C 1  96 SER N  1  96 SER CA 1  96 SER C -107.00  -75.00  -87.26  -95.83  -75.59    .  . 0 "[    .    1    .    2]" 
        93 PSI 1  96 SER N 1  96 SER CA 1  96 SER C  1  97 HIS N  -14.00   16.00    4.14   -4.25   13.63    .  . 0 "[    .    1    .    2]" 
        94 PHI 1  97 HIS C 1  98 LYS N  1  98 LYS CA 1  98 LYS C -131.00  -85.00  -93.92  -92.45  -95.23 0.78  4 0 "[    .    1    .    2]" 
        95 PSI 1  98 LYS N 1  98 LYS CA 1  98 LYS C  1  99 PRO N  102.00  156.00  133.34  119.90  150.68    .  . 0 "[    .    1    .    2]" 
        96 PSI 1  99 PRO N 1  99 PRO CA 1  99 PRO C  1 100 THR N  139.00  167.00  144.61  151.74  149.46 2.66  7 0 "[    .    1    .    2]" 
        97 PHI 1  99 PRO C 1 100 THR N  1 100 THR CA 1 100 THR C -112.00  -80.00 -110.73 -113.16 -113.43 3.31  7 0 "[    .    1    .    2]" 
        98 PSI 1 100 THR N 1 100 THR CA 1 100 THR C  1 101 TYR N  155.00  175.00  157.95  163.69  158.42 2.18 14 0 "[    .    1    .    2]" 
        99 PHI 1 100 THR C 1 101 TYR N  1 101 TYR CA 1 101 TYR C  -71.00  -51.00  -63.68  -71.46  -57.41 0.46  8 0 "[    .    1    .    2]" 
       100 PSI 1 101 TYR N 1 101 TYR CA 1 101 TYR C  1 102 GLU N  -49.00  -29.00  -43.40  -44.60  -45.87 0.20 13 0 "[    .    1    .    2]" 
       101 PHI 1 101 TYR C 1 102 GLU N  1 102 GLU CA 1 102 GLU C  -76.00  -56.00  -62.80  -61.90  -63.88 0.61 20 0 "[    .    1    .    2]" 
       102 PSI 1 102 GLU N 1 102 GLU CA 1 102 GLU C  1 103 ASN N  -50.00  -30.00  -46.77  -50.69  -40.33 0.69  6 0 "[    .    1    .    2]" 
       103 PHI 1 102 GLU C 1 103 ASN N  1 103 ASN CA 1 103 ASN C  -74.00  -54.00  -64.43  -60.43  -62.77 0.35 17 0 "[    .    1    .    2]" 
       104 PSI 1 103 ASN N 1 103 ASN CA 1 103 ASN C  1 104 LEU N  -50.00  -30.00  -42.96  -45.36  -47.16    .  . 0 "[    .    1    .    2]" 
       105 PHI 1 103 ASN C 1 104 LEU N  1 104 LEU CA 1 104 LEU C  -75.00  -55.00  -61.97  -70.86  -54.54 0.46 12 0 "[    .    1    .    2]" 
       106 PSI 1 104 LEU N 1 104 LEU CA 1 104 LEU C  1 105 GLN N  -50.00  -30.00  -46.04  -50.75  -36.09 0.75 19 0 "[    .    1    .    2]" 
       107 PHI 1 104 LEU C 1 105 GLN N  1 105 GLN CA 1 105 GLN C  -74.00  -54.00  -57.75  -63.85  -53.56 0.44 15 0 "[    .    1    .    2]" 
       108 PSI 1 105 GLN N 1 105 GLN CA 1 105 GLN C  1 106 LYS N  -50.00  -30.00  -43.38  -36.60  -43.62 1.10  9 0 "[    .    1    .    2]" 
       109 PHI 1 105 GLN C 1 106 LYS N  1 106 LYS CA 1 106 LYS C  -74.00  -54.00  -61.48  -60.31  -62.03    .  . 0 "[    .    1    .    2]" 
       110 PSI 1 106 LYS N 1 106 LYS CA 1 106 LYS C  1 107 SER N  -46.00  -26.00  -39.69  -39.77  -41.32 0.40  7 0 "[    .    1    .    2]" 
       111 PHI 1 106 LYS C 1 107 SER N  1 107 SER CA 1 107 SER C  -81.00  -61.00  -65.85  -75.51  -61.30    .  . 0 "[    .    1    .    2]" 
       112 PSI 1 107 SER N 1 107 SER CA 1 107 SER C  1 108 LEU N  -46.00  -26.00  -42.17  -37.28  -38.64 1.18 13 0 "[    .    1    .    2]" 
       113 PHI 1 107 SER C 1 108 LEU N  1 108 LEU CA 1 108 LEU C  -76.00  -56.00  -61.39  -60.71  -61.44    .  . 0 "[    .    1    .    2]" 
       114 PSI 1 108 LEU N 1 108 LEU CA 1 108 LEU C  1 109 GLU N  -50.00  -30.00  -43.26  -43.22  -44.41    .  . 0 "[    .    1    .    2]" 
       115 PHI 1 108 LEU C 1 109 GLU N  1 109 GLU CA 1 109 GLU C  -74.00  -54.00  -58.81  -69.49  -53.74 0.26 20 0 "[    .    1    .    2]" 
       116 PSI 1 109 GLU N 1 109 GLU CA 1 109 GLU C  1 110 ALA N  -51.00  -31.00  -49.85  -48.90  -50.43 1.72 18 0 "[    .    1    .    2]" 
       117 PHI 1 109 GLU C 1 110 ALA N  1 110 ALA CA 1 110 ALA C  -74.00  -54.00  -57.65  -53.63  -55.59 0.37  2 0 "[    .    1    .    2]" 
       118 PSI 1 110 ALA N 1 110 ALA CA 1 110 ALA C  1 111 MET N  -49.00  -29.00  -45.08  -44.39  -44.86 0.23 13 0 "[    .    1    .    2]" 
       119 PHI 1 110 ALA C 1 111 MET N  1 111 MET CA 1 111 MET C  -73.00  -53.00  -64.60  -73.53  -60.51 0.53 20 0 "[    .    1    .    2]" 
       120 PSI 1 111 MET N 1 111 MET CA 1 111 MET C  1 112 LYS N  -55.00  -35.00  -45.83  -53.03  -37.15    .  . 0 "[    .    1    .    2]" 
       121 PHI 1 111 MET C 1 112 LYS N  1 112 LYS CA 1 112 LYS C  -76.00  -56.00  -63.37  -62.65  -64.08 0.83  3 0 "[    .    1    .    2]" 
       122 PSI 1 112 LYS N 1 112 LYS CA 1 112 LYS C  1 113 SER N  -51.00  -31.00  -37.82  -40.32  -42.59 1.66  4 0 "[    .    1    .    2]" 
       123 PHI 1 112 LYS C 1 113 SER N  1 113 SER CA 1 113 SER C  -72.00  -52.00  -63.84  -64.83  -67.85 0.07 11 0 "[    .    1    .    2]" 
       124 PSI 1 113 SER N 1 113 SER CA 1 113 SER C  1 114 HIS N  -50.00  -30.00  -41.29  -50.06  -29.87 0.13 12 0 "[    .    1    .    2]" 
       125 PHI 1 113 SER C 1 114 HIS N  1 114 HIS CA 1 114 HIS C  -75.00  -55.00  -68.76  -75.19  -63.02 0.19  3 0 "[    .    1    .    2]" 
       126 PSI 1 114 HIS N 1 114 HIS CA 1 114 HIS C  1 115 CYS N  -55.00  -35.00  -39.67  -49.95  -34.66 0.34 17 0 "[    .    1    .    2]" 
       127 PHI 1 114 HIS C 1 115 CYS N  1 115 CYS CA 1 115 CYS C  -74.00  -54.00  -60.51  -60.76  -61.15 0.29  7 0 "[    .    1    .    2]" 
       128 PSI 1 115 CYS N 1 115 CYS CA 1 115 CYS C  1 116 LEU N  -54.00  -34.00  -36.20  -33.94  -34.36 1.02 11 0 "[    .    1    .    2]" 
       129 PHI 1 115 CYS C 1 116 LEU N  1 116 LEU CA 1 116 LEU C  -73.00  -53.00  -62.15  -58.10  -59.11    .  . 0 "[    .    1    .    2]" 
       130 PSI 1 116 LEU N 1 116 LEU CA 1 116 LEU C  1 117 LYS N  -53.00  -33.00  -41.05  -47.29  -31.49 1.51 16 0 "[    .    1    .    2]" 
       131 PHI 1 116 LEU C 1 117 LYS N  1 117 LYS CA 1 117 LYS C  -77.00  -57.00  -68.58  -68.19  -70.71 0.08 20 0 "[    .    1    .    2]" 
       132 PSI 1 117 LYS N 1 117 LYS CA 1 117 LYS C  1 118 ASN N  -43.00  -15.00  -24.84  -43.21  -14.33 0.67 20 0 "[    .    1    .    2]" 
       133 PHI 1 117 LYS C 1 118 ASN N  1 118 ASN CA 1 118 ASN C -115.00  -85.00 -109.54 -115.13 -115.41 1.18 18 0 "[    .    1    .    2]" 
       134 PSI 1 118 ASN N 1 118 ASN CA 1 118 ASN C  1 119 GLY N  -18.00   16.00   -7.13  -11.25  -14.35 1.13  7 0 "[    .    1    .    2]" 
       135 PHI 1 121 THR C 1 122 ASP N  1 122 ASP CA 1 122 ASP C -145.00  -95.00 -133.57 -143.00 -120.52    .  . 0 "[    .    1    .    2]" 
       136 PSI 1 122 ASP N 1 122 ASP CA 1 122 ASP C  1 123 LEU N  123.00  155.00  123.36  120.82  131.45 2.18 20 0 "[    .    1    .    2]" 
       137 PHI 1 122 ASP C 1 123 LEU N  1 123 LEU CA 1 123 LEU C -139.00 -119.00 -136.39 -142.18 -127.37 3.18 20 0 "[    .    1    .    2]" 
       138 PSI 1 123 LEU N 1 123 LEU CA 1 123 LEU C  1 124 SER N  123.00  145.00  143.61  145.71  145.54 1.10 19 0 "[    .    1    .    2]" 
       139 PHI 1 123 LEU C 1 124 SER N  1 124 SER CA 1 124 SER C -143.00  -93.00 -130.87 -130.87 -132.11    .  . 0 "[    .    1    .    2]" 
       140 PSI 1 124 SER N 1 124 SER CA 1 124 SER C  1 125 MET N  127.00  157.00  138.29  133.67  131.07    .  . 0 "[    .    1    .    2]" 
       141 PHI 1 124 SER C 1 125 MET N  1 125 MET CA 1 125 MET C -167.00 -121.00 -151.75 -164.73 -139.42    .  . 0 "[    .    1    .    2]" 
       142 PSI 1 125 MET N 1 125 MET CA 1 125 MET C  1 126 PRO N  142.00  170.00  159.21  162.53  161.48    .  . 0 "[    .    1    .    2]" 
       143 PHI 1 133 ASP C 1 134 ARG N  1 134 ARG CA 1 134 ARG C  -79.00  -57.00  -71.84  -80.18  -57.00 1.18 20 0 "[    .    1    .    2]" 
       144 PSI 1 134 ARG N 1 134 ARG CA 1 134 ARG C  1 135 LEU N  -38.00   -4.00  -27.98  -42.09   -6.95 4.09  2 0 "[    .    1    .    2]" 
       145 PHI 1 136 GLN C 1 137 TRP N  1 137 TRP CA 1 137 TRP C  -68.00  -48.00  -58.93  -68.22  -51.54 0.22 10 0 "[    .    1    .    2]" 
       146 PSI 1 137 TRP N 1 137 TRP CA 1 137 TRP C  1 138 GLU N  -49.00  -29.00  -35.58  -42.45  -29.80    .  . 0 "[    .    1    .    2]" 
       147 PHI 1 137 TRP C 1 138 GLU N  1 138 GLU CA 1 138 GLU C  -70.00  -50.00  -55.27  -56.43  -56.86 0.28  7 0 "[    .    1    .    2]" 
       148 PSI 1 138 GLU N 1 138 GLU CA 1 138 GLU C  1 139 ASN N  -54.00  -34.00  -41.14  -34.03  -35.02 0.34  3 0 "[    .    1    .    2]" 
       149 PHI 1 138 GLU C 1 139 ASN N  1 139 ASN CA 1 139 ASN C  -78.00  -58.00  -72.77  -78.31  -78.46 0.73 10 0 "[    .    1    .    2]" 
       150 PSI 1 139 ASN N 1 139 ASN CA 1 139 ASN C  1 140 VAL N  -47.00  -27.00  -38.11  -43.68  -28.22    .  . 0 "[    .    1    .    2]" 
       151 PHI 1 139 ASN C 1 140 VAL N  1 140 VAL CA 1 140 VAL C  -76.00  -56.00  -63.78  -62.71  -63.38    .  . 0 "[    .    1    .    2]" 
       152 PSI 1 140 VAL N 1 140 VAL CA 1 140 VAL C  1 141 SER N  -54.00  -34.00  -50.74  -49.67  -50.56 0.72  4 0 "[    .    1    .    2]" 
       153 PHI 1 140 VAL C 1 141 SER N  1 141 SER CA 1 141 SER C  -74.00  -54.00  -55.58  -56.52  -57.94 0.98 12 0 "[    .    1    .    2]" 
       154 PSI 1 141 SER N 1 141 SER CA 1 141 SER C  1 142 ALA N  -52.00  -32.00  -45.21  -52.22  -36.58 0.22  2 0 "[    .    1    .    2]" 
       155 PHI 1 141 SER C 1 142 ALA N  1 142 ALA CA 1 142 ALA C  -72.00  -52.00  -60.91  -62.54  -64.18 0.02  3 0 "[    .    1    .    2]" 
       156 PSI 1 142 ALA N 1 142 ALA CA 1 142 ALA C  1 143 MET N  -50.00  -30.00  -48.40  -49.03  -49.97 0.99 12 0 "[    .    1    .    2]" 
       157 PHI 1 142 ALA C 1 143 MET N  1 143 MET CA 1 143 MET C  -76.00  -56.00  -58.46  -67.05  -54.59 1.41 15 0 "[    .    1    .    2]" 
       158 PSI 1 143 MET N 1 143 MET CA 1 143 MET C  1 144 ILE N  -50.00  -30.00  -41.98  -48.21  -35.40    .  . 0 "[    .    1    .    2]" 
       159 PHI 1 143 MET C 1 144 ILE N  1 144 ILE CA 1 144 ILE C  -74.00  -54.00  -60.59  -63.81  -57.11    .  . 0 "[    .    1    .    2]" 
       160 PSI 1 144 ILE N 1 144 ILE CA 1 144 ILE C  1 145 GLU N  -53.00  -33.00  -43.74  -45.31  -46.58    .  . 0 "[    .    1    .    2]" 
       161 PHI 1 144 ILE C 1 145 GLU N  1 145 GLU CA 1 145 GLU C  -68.00  -48.00  -66.47  -65.38  -66.83 0.83 15 0 "[    .    1    .    2]" 
       162 PSI 1 145 GLU N 1 145 GLU CA 1 145 GLU C  1 146 GLU N  -51.00  -31.00  -34.26  -32.25  -34.24 1.03 10 0 "[    .    1    .    2]" 
       163 PHI 1 145 GLU C 1 146 GLU N  1 146 GLU CA 1 146 GLU C  -75.00  -55.00  -65.44  -74.73  -55.84    .  . 0 "[    .    1    .    2]" 
       164 PSI 1 146 GLU N 1 146 GLU CA 1 146 GLU C  1 147 VAL N  -51.00  -31.00  -45.75  -51.62  -31.32 0.62 15 0 "[    .    1    .    2]" 
       165 PHI 1 146 GLU C 1 147 VAL N  1 147 VAL CA 1 147 VAL C  -74.00  -54.00  -67.75  -72.80  -74.08 0.60 16 0 "[    .    1    .    2]" 
       166 PSI 1 147 VAL N 1 147 VAL CA 1 147 VAL C  1 148 PHE N  -53.00  -33.00  -47.83  -44.25  -45.52 0.30 14 0 "[    .    1    .    2]" 
       167 PHI 1 147 VAL C 1 148 PHE N  1 148 PHE CA 1 148 PHE C  -79.00  -51.00  -74.69  -80.11  -65.11 1.11 10 0 "[    .    1    .    2]" 
       168 PSI 1 148 PHE N 1 148 PHE CA 1 148 PHE C  1 149 GLU N  -45.00  -17.00  -14.57  -16.67  -12.14 4.86 20 0 "[    .    1    .    2]" 
       169 PHI 1 153 ILE C 1 154 LYS N  1 154 LYS CA 1 154 LYS C -125.00  -83.00  -84.93  -90.41  -90.85 1.64  8 0 "[    .    1    .    2]" 
       170 PSI 1 154 LYS N 1 154 LYS CA 1 154 LYS C  1 155 ILE N  114.00  156.00  138.04  116.74  156.87 0.87  1 0 "[    .    1    .    2]" 
       171 PHI 1 154 LYS C 1 155 ILE N  1 155 ILE CA 1 155 ILE C -132.00 -108.00 -117.91 -117.39 -119.42 0.59  8 0 "[    .    1    .    2]" 
       172 PSI 1 155 ILE N 1 155 ILE CA 1 155 ILE C  1 156 THR N  120.00  146.00  118.95  116.95  124.23 3.05 20 0 "[    .    1    .    2]" 
       173 PHI 1 155 ILE C 1 156 THR N  1 156 THR CA 1 156 THR C -135.00 -101.00 -112.20 -113.02 -113.96    .  . 0 "[    .    1    .    2]" 
       174 PSI 1 156 THR N 1 156 THR CA 1 156 THR C  1 157 VAL N  111.00  135.00  114.57  110.41  122.68 0.59  2 0 "[    .    1    .    2]" 
       175 PHI 1 156 THR C 1 157 VAL N  1 157 VAL CA 1 157 VAL C -127.00 -101.00 -102.16 -102.67 -104.46 0.94 16 0 "[    .    1    .    2]" 
       176 PSI 1 157 VAL N 1 157 VAL CA 1 157 VAL C  1 158 TYR N  112.00  138.00  120.22  125.78  122.60 0.38 16 0 "[    .    1    .    2]" 
       177 PHI 1 157 VAL C 1 158 TYR N  1 158 TYR CA 1 158 TYR C -119.00  -93.00  -94.03 -107.65  -91.45 1.55 15 0 "[    .    1    .    2]" 
       178 PSI 1 158 TYR N 1 158 TYR CA 1 158 TYR C  1 159 THR N  113.00  145.00  124.40  111.25  147.25 2.25  8 0 "[    .    1    .    2]" 
       179 PHI 1 158 TYR C 1 159 THR N  1 159 THR CA 1 159 THR C -137.00  -93.00  -95.26 -122.33  -89.64 3.36  8 0 "[    .    1    .    2]" 
       180 PSI 1 159 THR N 1 159 THR CA 1 159 THR C  1 160 LEU N  121.00  141.00  128.33  128.02  123.63 1.84 18 0 "[    .    1    .    2]" 
    stop_

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