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
468514 2a4j 5503 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2a4j


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              308
    _TA_constraint_stats_list.Viol_count                    1353
    _TA_constraint_stats_list.Viol_total                    39273.10
    _TA_constraint_stats_list.Viol_max                      8.92
    _TA_constraint_stats_list.Viol_rms                      0.93
    _TA_constraint_stats_list.Viol_average_all_restraints   0.32
    _TA_constraint_stats_list.Viol_average_violations_only  1.45
    _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  7 LYS C  1  8 ASP N  1  8 ASP CA 1  8 ASP C   -90.00  -30.00  -64.96  -70.50  -73.25    .  .  0 "[    .    1    .    2]" 
         2 . 1  8 ASP C  1  9 THR N  1  9 THR CA 1  9 THR C   -90.00  -30.00  -60.60  -59.74  -60.32    .  .  0 "[    .    1    .    2]" 
         3 . 1  9 THR C  1 10 LYS N  1 10 LYS CA 1 10 LYS C   -90.00  -30.00  -57.28  -62.34  -52.48    .  .  0 "[    .    1    .    2]" 
         4 . 1 10 LYS C  1 11 GLU N  1 11 GLU CA 1 11 GLU C   -90.00  -30.00  -59.24  -63.26  -69.13    .  .  0 "[    .    1    .    2]" 
         5 . 1 11 GLU C  1 12 GLU N  1 12 GLU CA 1 12 GLU C   -90.00  -30.00  -64.19  -66.89  -67.99    .  .  0 "[    .    1    .    2]" 
         6 . 1 12 GLU C  1 13 ILE N  1 13 ILE CA 1 13 ILE C   -90.00  -30.00  -66.87  -77.11  -59.00    .  .  0 "[    .    1    .    2]" 
         7 . 1 13 ILE C  1 14 LEU N  1 14 LEU CA 1 14 LEU C   -90.00  -30.00  -63.30  -67.37  -67.66    .  .  0 "[    .    1    .    2]" 
         8 . 1 14 LEU C  1 15 LYS N  1 15 LYS CA 1 15 LYS C   -90.00  -30.00  -57.39  -61.45  -52.19    .  .  0 "[    .    1    .    2]" 
         9 . 1 15 LYS C  1 16 ALA N  1 16 ALA CA 1 16 ALA C   -90.00  -30.00  -66.73  -60.86  -61.91    .  .  0 "[    .    1    .    2]" 
        10 . 1 16 ALA C  1 17 PHE N  1 17 PHE CA 1 17 PHE C   -90.00  -30.00  -58.63  -57.30  -58.03    .  .  0 "[    .    1    .    2]" 
        11 . 1 17 PHE C  1 18 LYS N  1 18 LYS CA 1 18 LYS C   -90.00  -30.00  -62.74  -59.67  -61.50    .  .  0 "[    .    1    .    2]" 
        12 . 1 18 LYS C  1 19 LEU N  1 19 LEU CA 1 19 LEU C   -90.00  -30.00  -58.32  -53.71  -55.98    .  .  0 "[    .    1    .    2]" 
        13 . 1 19 LEU C  1 20 PHE N  1 20 PHE CA 1 20 PHE C   -90.00  -30.00  -56.71  -62.44  -49.06    .  .  0 "[    .    1    .    2]" 
        14 . 1 30 PHE C  1 31 LYS N  1 31 LYS CA 1 31 LYS C   -90.00  -30.00  -66.24  -64.40  -64.89    .  .  0 "[    .    1    .    2]" 
        15 . 1 31 LYS C  1 32 ASN N  1 32 ASN CA 1 32 ASN C   -90.00  -30.00  -56.40  -57.97  -59.68    .  .  0 "[    .    1    .    2]" 
        16 . 1 32 ASN C  1 33 LEU N  1 33 LEU CA 1 33 LEU C   -90.00  -30.00  -46.20  -48.44  -41.91    .  .  0 "[    .    1    .    2]" 
        17 . 1 33 LEU C  1 34 LYS N  1 34 LYS CA 1 34 LYS C   -90.00  -30.00  -57.28  -60.35  -54.02    .  .  0 "[    .    1    .    2]" 
        18 . 1 34 LYS C  1 35 ARG N  1 35 ARG CA 1 35 ARG C   -90.00  -30.00  -86.16  -87.45  -87.90 0.54 18  0 "[    .    1    .    2]" 
        19 . 1 35 ARG C  1 36 VAL N  1 36 VAL CA 1 36 VAL C   -90.00  -30.00  -68.04  -71.83  -65.17    .  .  0 "[    .    1    .    2]" 
        20 . 1 36 VAL C  1 37 ALA N  1 37 ALA CA 1 37 ALA C   -90.00  -30.00  -66.89  -67.10  -67.33    .  .  0 "[    .    1    .    2]" 
        21 . 1 37 ALA C  1 38 LYS N  1 38 LYS CA 1 38 LYS C   -90.00  -30.00  -65.57  -75.55  -62.05    .  .  0 "[    .    1    .    2]" 
        22 . 1 38 LYS C  1 39 GLU N  1 39 GLU CA 1 39 GLU C   -90.00  -30.00  -50.01  -52.39  -45.54    .  .  0 "[    .    1    .    2]" 
        23 . 1 46 ASP C  1 47 GLU N  1 47 GLU CA 1 47 GLU C   -90.00  -30.00  -63.53  -66.02  -67.01    .  .  0 "[    .    1    .    2]" 
        24 . 1 47 GLU C  1 48 GLU N  1 48 GLU CA 1 48 GLU C   -90.00  -30.00  -60.78  -69.59  -55.47    .  .  0 "[    .    1    .    2]" 
        25 . 1 48 GLU C  1 49 LEU N  1 49 LEU CA 1 49 LEU C   -90.00  -30.00  -56.09  -55.21  -61.81    .  .  0 "[    .    1    .    2]" 
        26 . 1 49 LEU C  1 50 GLN N  1 50 GLN CA 1 50 GLN C   -90.00  -30.00  -64.06  -63.75  -64.54    .  .  0 "[    .    1    .    2]" 
        27 . 1 50 GLN C  1 51 GLU N  1 51 GLU CA 1 51 GLU C   -90.00  -30.00  -57.57  -61.06  -53.30    .  .  0 "[    .    1    .    2]" 
        28 . 1 51 GLU C  1 52 MET N  1 52 MET CA 1 52 MET C   -90.00  -30.00  -59.34  -55.70  -57.34    .  .  0 "[    .    1    .    2]" 
        29 . 1 52 MET C  1 53 ILE N  1 53 ILE CA 1 53 ILE C   -90.00  -30.00  -63.10  -69.91  -59.51    .  .  0 "[    .    1    .    2]" 
        30 . 1 53 ILE C  1 54 ASP N  1 54 ASP CA 1 54 ASP C   -90.00  -30.00  -65.63  -62.23  -63.22    .  .  0 "[    .    1    .    2]" 
        31 . 1 54 ASP C  1 55 GLU N  1 55 GLU CA 1 55 GLU C   -90.00  -30.00  -54.93  -59.20  -50.46    .  .  0 "[    .    1    .    2]" 
        32 . 1 55 GLU C  1 56 ALA N  1 56 ALA CA 1 56 ALA C   -90.00  -30.00  -66.07  -71.80  -76.17    .  .  0 "[    .    1    .    2]" 
        33 . 1 66 GLU C  1 67 GLN N  1 67 GLN CA 1 67 GLN C   -90.00  -30.00  -51.41  -56.35  -60.68    .  .  0 "[    .    1    .    2]" 
        34 . 1 67 GLN C  1 68 GLU N  1 68 GLU CA 1 68 GLU C   -90.00  -30.00  -83.93  -87.04  -89.92    .  .  0 "[    .    1    .    2]" 
        35 . 1 68 GLU C  1 69 PHE N  1 69 PHE CA 1 69 PHE C   -90.00  -30.00  -63.72  -64.85  -65.20    .  .  0 "[    .    1    .    2]" 
        36 . 1 69 PHE C  1 70 LEU N  1 70 LEU CA 1 70 LEU C   -90.00  -30.00  -70.83  -74.30  -59.75    .  .  0 "[    .    1    .    2]" 
        37 . 1 70 LEU C  1 71 ARG N  1 71 ARG CA 1 71 ARG C   -90.00  -30.00  -77.13  -82.71  -73.67    .  .  0 "[    .    1    .    2]" 
        38 . 1 71 ARG C  1 72 ILE N  1 72 ILE CA 1 72 ILE C   -90.00  -30.00  -71.70  -70.83  -71.63    .  .  0 "[    .    1    .    2]" 
        39 . 1 72 ILE C  1 73 MET N  1 73 MET CA 1 73 MET C   -90.00  -30.00  -57.36  -63.64  -54.29    .  .  0 "[    .    1    .    2]" 
        40 . 1 73 MET C  1 74 LYS N  1 74 LYS CA 1 74 LYS C   -90.00  -30.00  -69.67  -84.54  -60.52    .  .  0 "[    .    1    .    2]" 
        41 . 1  7 LYS N  1  7 LYS CA 1  7 LYS C  1  8 ASP N   -70.00   10.00  -62.14  -14.19  -28.01 5.79  8  1 "[    .  + 1    .    2]" 
        42 . 1  8 ASP N  1  8 ASP CA 1  8 ASP C  1  9 THR N   -70.00   10.00  -49.26  -60.08  -62.91    .  .  0 "[    .    1    .    2]" 
        43 . 1  9 THR N  1  9 THR CA 1  9 THR C  1 10 LYS N   -70.00   10.00  -48.20  -62.26  -39.21    .  .  0 "[    .    1    .    2]" 
        44 . 1 10 LYS N  1 10 LYS CA 1 10 LYS C  1 11 GLU N   -70.00   10.00  -44.26  -43.83  -45.41    .  .  0 "[    .    1    .    2]" 
        45 . 1 11 GLU N  1 11 GLU CA 1 11 GLU C  1 12 GLU N   -70.00   10.00  -38.76  -46.97  -19.25    .  .  0 "[    .    1    .    2]" 
        46 . 1 12 GLU N  1 12 GLU CA 1 12 GLU C  1 13 ILE N   -70.00   10.00  -53.88  -40.29  -44.83    .  .  0 "[    .    1    .    2]" 
        47 . 1 13 ILE N  1 13 ILE CA 1 13 ILE C  1 14 LEU N   -70.00   10.00  -41.55  -37.84  -38.62    .  .  0 "[    .    1    .    2]" 
        48 . 1 14 LEU N  1 14 LEU CA 1 14 LEU C  1 15 LYS N   -70.00   10.00  -42.67  -46.46  -36.41    .  .  0 "[    .    1    .    2]" 
        49 . 1 15 LYS N  1 15 LYS CA 1 15 LYS C  1 16 ALA N   -70.00   10.00  -35.32  -40.39  -42.39    .  .  0 "[    .    1    .    2]" 
        50 . 1 16 ALA N  1 16 ALA CA 1 16 ALA C  1 17 PHE N   -70.00   10.00  -41.85  -47.69  -36.44    .  .  0 "[    .    1    .    2]" 
        51 . 1 17 PHE N  1 17 PHE CA 1 17 PHE C  1 18 LYS N   -70.00   10.00  -34.57  -42.29  -27.81    .  .  0 "[    .    1    .    2]" 
        52 . 1 18 LYS N  1 18 LYS CA 1 18 LYS C  1 19 LEU N   -70.00   10.00  -31.73  -41.97  -24.88    .  .  0 "[    .    1    .    2]" 
        53 . 1 19 LEU N  1 19 LEU CA 1 19 LEU C  1 20 PHE N   -70.00   10.00  -39.86  -43.70  -30.51    .  .  0 "[    .    1    .    2]" 
        54 . 1 20 PHE N  1 20 PHE CA 1 20 PHE C  1 21 ASP N   -70.00   10.00  -53.31  -50.02  -52.18    .  .  0 "[    .    1    .    2]" 
        55 . 1 30 PHE N  1 30 PHE CA 1 30 PHE C  1 31 LYS N   -70.00   10.00  -53.84  -55.03  -55.32    .  .  0 "[    .    1    .    2]" 
        56 . 1 31 LYS N  1 31 LYS CA 1 31 LYS C  1 32 ASN N   -70.00   10.00  -39.30  -47.48  -34.28    .  .  0 "[    .    1    .    2]" 
        57 . 1 32 ASN N  1 32 ASN CA 1 32 ASN C  1 33 LEU N   -70.00   10.00  -47.23  -46.97  -47.22    .  .  0 "[    .    1    .    2]" 
        58 . 1 33 LEU N  1 33 LEU CA 1 33 LEU C  1 34 LYS N   -70.00   10.00  -67.38  -66.37  -67.33 0.23  8  0 "[    .    1    .    2]" 
        59 . 1 34 LYS N  1 34 LYS CA 1 34 LYS C  1 35 ARG N   -70.00   10.00  -19.73  -21.68  -22.94    .  .  0 "[    .    1    .    2]" 
        60 . 1 35 ARG N  1 35 ARG CA 1 35 ARG C  1 36 VAL N   -70.00   10.00  -63.51  -66.81  -59.61    .  .  0 "[    .    1    .    2]" 
        61 . 1 36 VAL N  1 36 VAL CA 1 36 VAL C  1 37 ALA N   -70.00   10.00  -38.29  -40.58  -35.63    .  .  0 "[    .    1    .    2]" 
        62 . 1 37 ALA N  1 37 ALA CA 1 37 ALA C  1 38 LYS N   -70.00   10.00  -29.03  -33.47  -22.42    .  .  0 "[    .    1    .    2]" 
        63 . 1 38 LYS N  1 38 LYS CA 1 38 LYS C  1 39 GLU N   -70.00   10.00  -31.13  -35.22  -38.05    .  .  0 "[    .    1    .    2]" 
        64 . 1 39 GLU N  1 39 GLU CA 1 39 GLU C  1 40 LEU N   -70.00   10.00  -45.08  -48.66  -32.63    .  .  0 "[    .    1    .    2]" 
        65 . 1 46 ASP N  1 46 ASP CA 1 46 ASP C  1 47 GLU N   -70.00   10.00  -24.53  -24.74  -25.33    .  .  0 "[    .    1    .    2]" 
        66 . 1 47 GLU N  1 47 GLU CA 1 47 GLU C  1 48 GLU N   -70.00   10.00  -45.98  -45.58  -46.97    .  .  0 "[    .    1    .    2]" 
        67 . 1 48 GLU N  1 48 GLU CA 1 48 GLU C  1 49 LEU N   -70.00   10.00  -48.56  -52.90  -36.43    .  .  0 "[    .    1    .    2]" 
        68 . 1 49 LEU N  1 49 LEU CA 1 49 LEU C  1 50 GLN N   -70.00   10.00  -40.30  -48.51  -27.48    .  .  0 "[    .    1    .    2]" 
        69 . 1 50 GLN N  1 50 GLN CA 1 50 GLN C  1 51 GLU N   -70.00   10.00  -40.90  -38.84  -39.64    .  .  0 "[    .    1    .    2]" 
        70 . 1 51 GLU N  1 51 GLU CA 1 51 GLU C  1 52 MET N   -70.00   10.00  -39.95  -46.58  -31.69    .  .  0 "[    .    1    .    2]" 
        71 . 1 52 MET N  1 52 MET CA 1 52 MET C  1 53 ILE N   -70.00   10.00  -55.82  -60.92  -47.15    .  .  0 "[    .    1    .    2]" 
        72 . 1 53 ILE N  1 53 ILE CA 1 53 ILE C  1 54 ASP N   -70.00   10.00  -38.07  -37.30  -38.76    .  .  0 "[    .    1    .    2]" 
        73 . 1 54 ASP N  1 54 ASP CA 1 54 ASP C  1 55 GLU N   -70.00   10.00  -39.62  -45.28  -35.47    .  .  0 "[    .    1    .    2]" 
        74 . 1 55 GLU N  1 55 GLU CA 1 55 GLU C  1 56 ALA N   -70.00   10.00  -52.91  -53.11  -54.28    .  .  0 "[    .    1    .    2]" 
        75 . 1 56 ALA N  1 56 ALA CA 1 56 ALA C  1 57 ASP N   -70.00   10.00  -45.06  -50.68  -36.02    .  .  0 "[    .    1    .    2]" 
        76 . 1 66 GLU N  1 66 GLU CA 1 66 GLU C  1 67 GLN N   -70.00   10.00  -42.54  -46.73  -35.46    .  .  0 "[    .    1    .    2]" 
        77 . 1 67 GLN N  1 67 GLN CA 1 67 GLN C  1 68 GLU N   -70.00   10.00  -20.07  -28.08  -14.11    .  .  0 "[    .    1    .    2]" 
        78 . 1 68 GLU N  1 68 GLU CA 1 68 GLU C  1 69 PHE N   -70.00   10.00  -57.59  -61.30  -53.19    .  .  0 "[    .    1    .    2]" 
        79 . 1 69 PHE N  1 69 PHE CA 1 69 PHE C  1 70 LEU N   -70.00   10.00  -49.42  -52.06  -46.25    .  .  0 "[    .    1    .    2]" 
        80 . 1 70 LEU N  1 70 LEU CA 1 70 LEU C  1 71 ARG N   -70.00   10.00  -47.50  -44.55  -45.35    .  .  0 "[    .    1    .    2]" 
        81 . 1 71 ARG N  1 71 ARG CA 1 71 ARG C  1 72 ILE N   -70.00   10.00  -36.57  -39.77  -33.01    .  .  0 "[    .    1    .    2]" 
        82 . 1 72 ILE N  1 72 ILE CA 1 72 ILE C  1 73 MET N   -70.00   10.00  -37.81  -40.47  -35.22    .  .  0 "[    .    1    .    2]" 
        83 . 1 73 MET N  1 73 MET CA 1 73 MET C  1 74 LYS N   -70.00   10.00  -47.59  -54.03  -42.62    .  .  0 "[    .    1    .    2]" 
        84 . 1 74 LYS N  1 74 LYS CA 1 74 LYS C  1 75 LYS N   -70.00   10.00  -62.45  -73.59   15.27 5.27 13  1 "[    .    1  + .    2]" 
        85 . 1 27 LYS C  1 28 ILE N  1 28 ILE CA 1 28 ILE C  -160.00 -100.00 -128.15 -114.61 -121.70    .  .  0 "[    .    1    .    2]" 
        86 . 1 28 ILE C  1 29 SER N  1 29 SER CA 1 29 SER C  -160.00 -100.00 -121.08 -111.70 -112.77    .  .  0 "[    .    1    .    2]" 
        87 . 1 62 GLY C  1 63 GLU N  1 63 GLU CA 1 63 GLU C  -160.00 -100.00 -118.66 -131.47 -138.74 8.58  3  7 "[  + ** * 1-   .* * 2]" 
        88 . 1 63 GLU C  1 64 VAL N  1 64 VAL CA 1 64 VAL C  -160.00 -100.00  -98.45 -115.56  -91.08 8.92  7  6 "[   *. +  *   *-    *]" 
        89 . 1 64 VAL C  1 65 SER N  1 65 SER CA 1 65 SER C  -160.00 -100.00 -116.51 -126.76 -101.80    .  .  0 "[    .    1    .    2]" 
        90 . 1 27 LYS N  1 27 LYS CA 1 27 LYS C  1 28 ILE N   110.00  180.00  147.12  130.70  165.32    .  .  0 "[    .    1    .    2]" 
        91 . 1 28 ILE N  1 28 ILE CA 1 28 ILE C  1 29 SER N   110.00  180.00  166.77  157.67  172.88    .  .  0 "[    .    1    .    2]" 
        92 . 1 29 SER N  1 29 SER CA 1 29 SER C  1 30 PHE N   110.00  180.00  168.63  155.79  176.33    .  .  0 "[    .    1    .    2]" 
        93 . 1 63 GLU N  1 63 GLU CA 1 63 GLU C  1 64 VAL N   110.00  180.00  148.72  135.48  164.73    .  .  0 "[    .    1    .    2]" 
        94 . 1 64 VAL N  1 64 VAL CA 1 64 VAL C  1 65 SER N   110.00  180.00  161.07  159.27  158.05    .  .  0 "[    .    1    .    2]" 
        95 . 1 65 SER N  1 65 SER CA 1 65 SER C  1 66 GLU N   110.00  180.00  170.61  165.93  176.38    .  .  0 "[    .    1    .    2]" 
        96 . 1 21 ASP C  1 22 ASP N  1 22 ASP CA 1 22 ASP C   -90.00  -30.00  -69.89  -83.50  -60.28    .  .  0 "[    .    1    .    2]" 
        97 . 1 57 ASP C  1 58 ARG N  1 58 ARG CA 1 58 ARG C   -90.00  -30.00  -53.17  -54.70  -55.91    .  .  0 "[    .    1    .    2]" 
        98 . 1 29 SER C  1 30 PHE N  1 30 PHE CA 1 30 PHE C   -90.00  -30.00  -33.78  -39.95  -28.33 1.67 15  0 "[    .    1    .    2]" 
        99 . 1 65 SER C  1 66 GLU N  1 66 GLU CA 1 66 GLU C   -90.00  -30.00  -43.79  -45.16  -45.82    .  .  0 "[    .    1    .    2]" 
       100 . 2  1 ASN C  2  2 TRP N  2  2 TRP CA 2  2 TRP C   -90.00  -30.00  -68.24  -81.66  -64.98    .  .  0 "[    .    1    .    2]" 
       101 . 2  2 TRP C  2  3 LYS N  2  3 LYS CA 2  3 LYS C   -90.00  -30.00  -67.54  -70.43  -63.47    .  .  0 "[    .    1    .    2]" 
       102 . 2  3 LYS C  2  4 LEU N  2  4 LEU CA 2  4 LEU C   -90.00  -30.00  -60.07  -58.57  -58.96    .  .  0 "[    .    1    .    2]" 
       103 . 2  4 LEU C  2  5 LEU N  2  5 LEU CA 2  5 LEU C   -90.00  -30.00  -66.48  -68.78  -69.92    .  .  0 "[    .    1    .    2]" 
       104 . 2  5 LEU C  2  6 ALA N  2  6 ALA CA 2  6 ALA C   -90.00  -30.00  -65.78  -70.62  -72.19    .  .  0 "[    .    1    .    2]" 
       105 . 2  6 ALA C  2  7 LYS N  2  7 LYS CA 2  7 LYS C   -90.00  -30.00  -66.70  -69.46  -61.59    .  .  0 "[    .    1    .    2]" 
       106 . 2  7 LYS C  2  8 GLY N  2  8 GLY CA 2  8 GLY C   -90.00  -30.00  -41.57  -44.09  -44.98    .  .  0 "[    .    1    .    2]" 
       107 . 2  8 GLY C  2  9 LEU N  2  9 LEU CA 2  9 LEU C   -90.00  -30.00  -93.51  -93.34  -93.59 5.77  9  3 "[*   -   +1    .    2]" 
       108 . 2  9 LEU C  2 10 LEU N  2 10 LEU CA 2 10 LEU C   -90.00  -30.00  -56.18  -59.62  -60.21    .  .  0 "[    .    1    .    2]" 
       109 . 2 10 LEU C  2 11 ILE N  2 11 ILE CA 2 11 ILE C   -90.00  -30.00  -36.88  -39.79  -30.25    .  .  0 "[    .    1    .    2]" 
       110 . 2 11 ILE C  2 12 ARG N  2 12 ARG CA 2 12 ARG C   -90.00  -30.00  -35.87  -77.26  -24.72 5.28 12  1 "[    .    1 +  .    2]" 
       111 . 2  2 TRP N  2  2 TRP CA 2  2 TRP C  2  3 LYS N   -70.00   10.00  -25.24  -24.78  -25.30    .  .  0 "[    .    1    .    2]" 
       112 . 2  3 LYS N  2  3 LYS CA 2  3 LYS C  2  4 LEU N   -70.00   10.00  -43.95  -46.99  -48.92    .  .  0 "[    .    1    .    2]" 
       113 . 2  4 LEU N  2  4 LEU CA 2  4 LEU C  2  5 LEU N   -70.00   10.00  -44.95  -49.11  -37.83    .  .  0 "[    .    1    .    2]" 
       114 . 2  5 LEU N  2  5 LEU CA 2  5 LEU C  2  6 ALA N   -70.00   10.00  -29.45  -34.50  -20.54    .  .  0 "[    .    1    .    2]" 
       115 . 2  6 ALA N  2  6 ALA CA 2  6 ALA C  2  7 LYS N   -70.00   10.00  -36.65  -33.84  -35.58    .  .  0 "[    .    1    .    2]" 
       116 . 2  7 LYS N  2  7 LYS CA 2  7 LYS C  2  8 GLY N   -70.00   10.00  -50.89  -55.75  -47.53    .  .  0 "[    .    1    .    2]" 
       117 . 2  8 GLY N  2  8 GLY CA 2  8 GLY C  2  9 LEU N   -70.00   10.00  -46.53  -54.08  -39.03    .  .  0 "[    .    1    .    2]" 
       118 . 2  9 LEU N  2  9 LEU CA 2  9 LEU C  2 10 LEU N   -70.00   10.00   -7.37  -11.60   -4.00    .  .  0 "[    .    1    .    2]" 
       119 . 2 10 LEU N  2 10 LEU CA 2 10 LEU C  2 11 ILE N   -70.00   10.00  -19.07  -18.49  -19.23    .  .  0 "[    .    1    .    2]" 
       120 . 2 11 ILE N  2 11 ILE CA 2 11 ILE C  2 12 ARG N   -70.00   10.00  -12.77  -12.88  -13.37    .  .  0 "[    .    1    .    2]" 
       121 . 2 12 ARG N  2 12 ARG CA 2 12 ARG C  2 13 GLU N   -70.00   10.00  -47.32  -73.53  -37.83 3.53 17  0 "[    .    1    .    2]" 
       122 . 1  1 THR CA 1  1 THR C  1  2 GLN N  1  2 GLN CA  170.00 -170.00  179.08 -178.14 -178.75 0.20  3  0 "[    .    1    .    2]" 
       123 . 1  1 THR O  1  1 THR C  1  2 GLN N  1  2 GLN H   170.00 -170.00  179.84  178.96 -179.11    .  .  0 "[    .    1    .    2]" 
       124 . 1  2 GLN CA 1  2 GLN C  1  3 LYS N  1  3 LYS CA  170.00 -170.00  179.25  170.51 -176.29    .  .  0 "[    .    1    .    2]" 
       125 . 1  2 GLN O  1  2 GLN C  1  3 LYS N  1  3 LYS H   170.00 -170.00  178.51 -179.97  179.92 0.07 14  0 "[    .    1    .    2]" 
       126 . 1  3 LYS CA 1  3 LYS C  1  4 MET N  1  4 MET CA  170.00 -170.00  179.30  172.80 -172.28    .  .  0 "[    .    1    .    2]" 
       127 . 1  3 LYS O  1  3 LYS C  1  4 MET N  1  4 MET H   170.00 -170.00 -179.57 -177.80 -178.97    .  .  0 "[    .    1    .    2]" 
       128 . 1  4 MET CA 1  4 MET C  1  5 SER N  1  5 SER CA  170.00 -170.00 -178.77 -177.86 -178.63    .  .  0 "[    .    1    .    2]" 
       129 . 1  4 MET O  1  4 MET C  1  5 SER N  1  5 SER H   170.00 -170.00 -177.93  176.88 -172.15    .  .  0 "[    .    1    .    2]" 
       130 . 1  5 SER CA 1  5 SER C  1  6 GLU N  1  6 GLU CA  170.00 -170.00  174.62  169.11 -169.22 0.89 11  0 "[    .    1    .    2]" 
       131 . 1  5 SER O  1  5 SER C  1  6 GLU N  1  6 GLU H   170.00 -170.00 -175.56 -179.16 -169.82 0.18 12  0 "[    .    1    .    2]" 
       132 . 1  6 GLU CA 1  6 GLU C  1  7 LYS N  1  7 LYS CA  170.00 -170.00 -177.01  169.96 -169.30 0.70 10  0 "[    .    1    .    2]" 
       133 . 1  6 GLU O  1  6 GLU C  1  7 LYS N  1  7 LYS H   170.00 -170.00  179.56  177.96  176.21 0.14 11  0 "[    .    1    .    2]" 
       134 . 1  7 LYS CA 1  7 LYS C  1  8 ASP N  1  8 ASP CA  170.00 -170.00 -173.91 -170.15 -171.01 1.15  6  0 "[    .    1    .    2]" 
       135 . 1  7 LYS O  1  7 LYS C  1  8 ASP N  1  8 ASP H   170.00 -170.00 -177.67  179.73 -169.91 0.09  1  0 "[    .    1    .    2]" 
       136 . 1  8 ASP CA 1  8 ASP C  1  9 THR N  1  9 THR CA  170.00 -170.00  174.35  171.12  170.22 0.12  1  0 "[    .    1    .    2]" 
       137 . 1  8 ASP O  1  8 ASP C  1  9 THR N  1  9 THR H   170.00 -170.00 -178.84 -176.42 -177.23    .  .  0 "[    .    1    .    2]" 
       138 . 1  9 THR CA 1  9 THR C  1 10 LYS N  1 10 LYS CA  170.00 -170.00  171.11  168.84  176.74 1.16 10  0 "[    .    1    .    2]" 
       139 . 1  9 THR O  1  9 THR C  1 10 LYS N  1 10 LYS H   170.00 -170.00 -176.76 -175.57 -176.29    .  .  0 "[    .    1    .    2]" 
       140 . 1 10 LYS CA 1 10 LYS C  1 11 GLU N  1 11 GLU CA  170.00 -170.00  169.90  168.38  172.40 1.62  8  0 "[    .    1    .    2]" 
       141 . 1 10 LYS O  1 10 LYS C  1 11 GLU N  1 11 GLU H   170.00 -170.00 -178.65  176.73 -172.16    .  .  0 "[    .    1    .    2]" 
       142 . 1 11 GLU CA 1 11 GLU C  1 12 GLU N  1 12 GLU CA  170.00 -170.00  173.43  172.34  171.42 0.14  1  0 "[    .    1    .    2]" 
       143 . 1 11 GLU O  1 11 GLU C  1 12 GLU N  1 12 GLU H   170.00 -170.00  177.63  175.31  173.20    .  .  0 "[    .    1    .    2]" 
       144 . 1 12 GLU CA 1 12 GLU C  1 13 ILE N  1 13 ILE CA  170.00 -170.00  177.94  173.74 -175.88    .  .  0 "[    .    1    .    2]" 
       145 . 1 12 GLU O  1 12 GLU C  1 13 ILE N  1 13 ILE H   170.00 -170.00 -172.86 -177.15 -177.29 0.07 17  0 "[    .    1    .    2]" 
       146 . 1 13 ILE CA 1 13 ILE C  1 14 LEU N  1 14 LEU CA  170.00 -170.00  170.62  168.16  175.49 1.84  2  0 "[    .    1    .    2]" 
       147 . 1 13 ILE O  1 13 ILE C  1 14 LEU N  1 14 LEU H   170.00 -170.00 -178.66  179.44  178.40    .  .  0 "[    .    1    .    2]" 
       148 . 1 14 LEU CA 1 14 LEU C  1 15 LYS N  1 15 LYS CA  170.00 -170.00  169.15  167.77  170.91 2.23  2  0 "[    .    1    .    2]" 
       149 . 1 14 LEU O  1 14 LEU C  1 15 LYS N  1 15 LYS H   170.00 -170.00 -178.29  178.77  177.88 0.24  8  0 "[    .    1    .    2]" 
       150 . 1 15 LYS CA 1 15 LYS C  1 16 ALA N  1 16 ALA CA  170.00 -170.00  169.64  168.87  168.78 1.92  7  0 "[    .    1    .    2]" 
       151 . 1 15 LYS O  1 15 LYS C  1 16 ALA N  1 16 ALA H   170.00 -170.00  174.04  176.11  175.79 0.23  9  0 "[    .    1    .    2]" 
       152 . 1 16 ALA CA 1 16 ALA C  1 17 PHE N  1 17 PHE CA  170.00 -170.00  165.50  164.33  166.60 5.67  6  5 "[    .+   *    . -* *]" 
       153 . 1 16 ALA O  1 16 ALA C  1 17 PHE N  1 17 PHE H   170.00 -170.00  175.50  176.98  176.26    .  .  0 "[    .    1    .    2]" 
       154 . 1 17 PHE CA 1 17 PHE C  1 18 LYS N  1 18 LYS CA  170.00 -170.00  165.64  164.41  167.14 5.59 20  3 "[    .    *  - .    +]" 
       155 . 1 17 PHE O  1 17 PHE C  1 18 LYS N  1 18 LYS H   170.00 -170.00  172.14  169.65  169.48 1.29 13  0 "[    .    1    .    2]" 
       156 . 1 18 LYS CA 1 18 LYS C  1 19 LEU N  1 19 LEU CA  170.00 -170.00  166.42  164.02  168.49 5.98 18  1 "[    .    1    .  + 2]" 
       157 . 1 18 LYS O  1 18 LYS C  1 19 LEU N  1 19 LEU H   170.00 -170.00  172.87  169.37  177.19 0.63  2  0 "[    .    1    .    2]" 
       158 . 1 19 LEU CA 1 19 LEU C  1 20 PHE N  1 20 PHE CA  170.00 -170.00  165.82  164.62  167.16 5.38 18  4 "[    . -  1    .* +*2]" 
       159 . 1 19 LEU O  1 19 LEU C  1 20 PHE N  1 20 PHE H   170.00 -170.00  172.63  169.52  174.95 0.48 17  0 "[    .    1    .    2]" 
       160 . 1 20 PHE CA 1 20 PHE C  1 21 ASP N  1 21 ASP CA  170.00 -170.00 -168.71 -168.89 -169.32 5.15  8  1 "[    .  + 1    .    2]" 
       161 . 1 20 PHE O  1 20 PHE C  1 21 ASP N  1 21 ASP H   170.00 -170.00 -176.85  170.43 -168.84 1.16 17  0 "[    .    1    .    2]" 
       162 . 1 21 ASP CA 1 21 ASP C  1 22 ASP N  1 22 ASP CA  170.00 -170.00 -179.14  169.95 -168.39 1.61  6  0 "[    .    1    .    2]" 
       163 . 1 21 ASP O  1 21 ASP C  1 22 ASP N  1 22 ASP H   170.00 -170.00 -177.58 -172.33 -173.75 0.87 20  0 "[    .    1    .    2]" 
       164 . 1 22 ASP CA 1 22 ASP C  1 23 ASP N  1 23 ASP CA  170.00 -170.00  179.61 -174.53  172.84 6.32  6  1 "[    .+   1    .    2]" 
       165 . 1 22 ASP O  1 22 ASP C  1 23 ASP N  1 23 ASP H   170.00 -170.00  174.04  173.69  170.61 0.45 13  0 "[    .    1    .    2]" 
       166 . 1 23 ASP CA 1 23 ASP C  1 24 GLU N  1 24 GLU CA  170.00 -170.00  172.69  168.04  179.19 1.96  2  0 "[    .    1    .    2]" 
       167 . 1 23 ASP O  1 23 ASP C  1 24 GLU N  1 24 GLU H   170.00 -170.00  177.57  169.58 -173.85 0.42  3  0 "[    .    1    .    2]" 
       168 . 1 24 GLU CA 1 24 GLU C  1 25 THR N  1 25 THR CA  170.00 -170.00  177.46 -167.79 -177.84 3.74  6  0 "[    .    1    .    2]" 
       169 . 1 24 GLU O  1 24 GLU C  1 25 THR N  1 25 THR H   170.00 -170.00 -178.37 -174.83 -178.34    .  .  0 "[    .    1    .    2]" 
       170 . 1 25 THR CA 1 25 THR C  1 26 GLY N  1 26 GLY CA  170.00 -170.00  175.84  168.27 -177.21 1.73  6  0 "[    .    1    .    2]" 
       171 . 1 25 THR O  1 25 THR C  1 26 GLY N  1 26 GLY H   170.00 -170.00 -179.40  169.76 -169.93 0.24 16  0 "[    .    1    .    2]" 
       172 . 1 26 GLY CA 1 26 GLY C  1 27 LYS N  1 27 LYS CA  170.00 -170.00 -179.50  176.44  173.76 0.95 10  0 "[    .    1    .    2]" 
       173 . 1 26 GLY O  1 26 GLY C  1 27 LYS N  1 27 LYS H   170.00 -170.00 -175.70  176.27 -169.31 0.69 10  0 "[    .    1    .    2]" 
       174 . 1 27 LYS CA 1 27 LYS C  1 28 ILE N  1 28 ILE CA  170.00 -170.00 -167.95 -168.75 -169.17 5.07 17  1 "[    .    1    . +  2]" 
       175 . 1 27 LYS O  1 27 LYS C  1 28 ILE N  1 28 ILE H   170.00 -170.00 -174.76 -178.14  179.85 1.15 14  0 "[    .    1    .    2]" 
       176 . 1 28 ILE CA 1 28 ILE C  1 29 SER N  1 29 SER CA  170.00 -170.00 -176.53  175.02  171.51 0.51  3  0 "[    .    1    .    2]" 
       177 . 1 28 ILE O  1 28 ILE C  1 29 SER N  1 29 SER H   170.00 -170.00 -178.54 -178.32 -178.62    .  .  0 "[    .    1    .    2]" 
       178 . 1 29 SER CA 1 29 SER C  1 30 PHE N  1 30 PHE CA  170.00 -170.00  172.94  169.77  177.93 0.23  2  0 "[    .    1    .    2]" 
       179 . 1 29 SER O  1 29 SER C  1 30 PHE N  1 30 PHE H   170.00 -170.00 -173.24 -176.18 -170.05    .  .  0 "[    .    1    .    2]" 
       180 . 1 30 PHE CA 1 30 PHE C  1 31 LYS N  1 31 LYS CA  170.00 -170.00 -178.90 -177.52 -177.76    .  .  0 "[    .    1    .    2]" 
       181 . 1 30 PHE O  1 30 PHE C  1 31 LYS N  1 31 LYS H   170.00 -170.00 -170.80 -178.59 -168.94 1.06 11  0 "[    .    1    .    2]" 
       182 . 1 31 LYS CA 1 31 LYS C  1 32 ASN N  1 32 ASN CA  170.00 -170.00  174.12  175.37  174.58    .  .  0 "[    .    1    .    2]" 
       183 . 1 31 LYS O  1 31 LYS C  1 32 ASN N  1 32 ASN H   170.00 -170.00 -172.41 -172.07 -172.44 0.72  5  0 "[    .    1    .    2]" 
       184 . 1 32 ASN CA 1 32 ASN C  1 33 LEU N  1 33 LEU CA  170.00 -170.00  167.83  165.44  169.51 4.56 16  0 "[    .    1    .    2]" 
       185 . 1 32 ASN O  1 32 ASN C  1 33 LEU N  1 33 LEU H   170.00 -170.00 -170.40 -169.71 -169.82 0.86 20  0 "[    .    1    .    2]" 
       186 . 1 33 LEU CA 1 33 LEU C  1 34 LYS N  1 34 LYS CA  170.00 -170.00  174.36  169.78  177.66 0.22  5  0 "[    .    1    .    2]" 
       187 . 1 33 LEU O  1 33 LEU C  1 34 LYS N  1 34 LYS H   170.00 -170.00 -172.03 -176.54 -169.44 0.56  4  0 "[    .    1    .    2]" 
       188 . 1 34 LYS CA 1 34 LYS C  1 35 ARG N  1 35 ARG CA  170.00 -170.00 -166.78 -168.16 -165.50 4.50  1  0 "[    .    1    .    2]" 
       189 . 1 34 LYS O  1 34 LYS C  1 35 ARG N  1 35 ARG H   170.00 -170.00 -167.29 -168.30 -166.26 3.74  8  0 "[    .    1    .    2]" 
       190 . 1 35 ARG CA 1 35 ARG C  1 36 VAL N  1 36 VAL CA  170.00 -170.00  169.14  168.26  167.81 2.19  1  0 "[    .    1    .    2]" 
       191 . 1 35 ARG O  1 35 ARG C  1 36 VAL N  1 36 VAL H   170.00 -170.00 -176.55 -178.07 -179.11    .  .  0 "[    .    1    .    2]" 
       192 . 1 36 VAL CA 1 36 VAL C  1 37 ALA N  1 37 ALA CA  170.00 -170.00  168.54  167.63  166.99 3.28  1  0 "[    .    1    .    2]" 
       193 . 1 36 VAL O  1 36 VAL C  1 37 ALA N  1 37 ALA H   170.00 -170.00 -173.44 -173.36 -173.94 0.68 20  0 "[    .    1    .    2]" 
       194 . 1 37 ALA CA 1 37 ALA C  1 38 LYS N  1 38 LYS CA  170.00 -170.00  169.58  171.19  169.83 1.66 13  0 "[    .    1    .    2]" 
       195 . 1 37 ALA O  1 37 ALA C  1 38 LYS N  1 38 LYS H   170.00 -170.00 -178.05 -179.08  179.23    .  .  0 "[    .    1    .    2]" 
       196 . 1 38 LYS CA 1 38 LYS C  1 39 GLU N  1 39 GLU CA  170.00 -170.00  169.02  167.67  170.94 2.33 12  0 "[    .    1    .    2]" 
       197 . 1 38 LYS O  1 38 LYS C  1 39 GLU N  1 39 GLU H   170.00 -170.00  171.91  174.77  173.57 0.22 12  0 "[    .    1    .    2]" 
       198 . 1 39 GLU CA 1 39 GLU C  1 40 LEU N  1 40 LEU CA  170.00 -170.00  168.03  168.10  167.50 4.62 12  0 "[    .    1    .    2]" 
       199 . 1 39 GLU O  1 39 GLU C  1 40 LEU N  1 40 LEU H   170.00 -170.00 -179.21 -178.67 -178.81    .  .  0 "[    .    1    .    2]" 
       200 . 1 40 LEU CA 1 40 LEU C  1 41 GLY N  1 41 GLY CA  170.00 -170.00 -171.46 -169.35 -169.99 1.17  7  0 "[    .    1    .    2]" 
       201 . 1 40 LEU O  1 40 LEU C  1 41 GLY N  1 41 GLY H   170.00 -170.00 -177.33 -176.90 -178.77    .  .  0 "[    .    1    .    2]" 
       202 . 1 41 GLY CA 1 41 GLY C  1 42 GLU N  1 42 GLU CA  170.00 -170.00  173.41  169.72 -177.49 0.28  6  0 "[    .    1    .    2]" 
       203 . 1 41 GLY O  1 41 GLY C  1 42 GLU N  1 42 GLU H   170.00 -170.00  176.15  168.81 -169.14 1.19 10  0 "[    .    1    .    2]" 
       204 . 1 42 GLU CA 1 42 GLU C  1 43 ASN N  1 43 ASN CA  170.00 -170.00 -176.81 -178.91  176.47 2.60 17  0 "[    .    1    .    2]" 
       205 . 1 42 GLU O  1 42 GLU C  1 43 ASN N  1 43 ASN H   170.00 -170.00 -179.47 -174.22 -177.47 0.32 20  0 "[    .    1    .    2]" 
       206 . 1 43 ASN CA 1 43 ASN C  1 44 LEU N  1 44 LEU CA  170.00 -170.00  178.35  169.37 -168.04 1.96 15  0 "[    .    1    .    2]" 
       207 . 1 43 ASN O  1 43 ASN C  1 44 LEU N  1 44 LEU H   170.00 -170.00  172.67  169.29 -177.88 0.71  5  0 "[    .    1    .    2]" 
       208 . 1 44 LEU CA 1 44 LEU C  1 45 THR N  1 45 THR CA  170.00 -170.00  168.39  166.57  169.90 3.43  7  0 "[    .    1    .    2]" 
       209 . 1 44 LEU O  1 44 LEU C  1 45 THR N  1 45 THR H   170.00 -170.00 -174.85 -173.13 -174.75 0.58  8  0 "[    .    1    .    2]" 
       210 . 1 45 THR CA 1 45 THR C  1 46 ASP N  1 46 ASP CA  170.00 -170.00  172.20  176.42  174.33 1.05  5  0 "[    .    1    .    2]" 
       211 . 1 45 THR O  1 45 THR C  1 46 ASP N  1 46 ASP H   170.00 -170.00 -173.16 -173.51 -173.70 0.10  4  0 "[    .    1    .    2]" 
       212 . 1 46 ASP CA 1 46 ASP C  1 47 GLU N  1 47 GLU CA  170.00 -170.00  168.39  166.83  171.20 3.17  8  0 "[    .    1    .    2]" 
       213 . 1 46 ASP O  1 46 ASP C  1 47 GLU N  1 47 GLU H   170.00 -170.00 -175.76 -176.66 -176.88    .  .  0 "[    .    1    .    2]" 
       214 . 1 47 GLU CA 1 47 GLU C  1 48 GLU N  1 48 GLU CA  170.00 -170.00  170.21  168.94  175.72 1.06  8  0 "[    .    1    .    2]" 
       215 . 1 47 GLU O  1 47 GLU C  1 48 GLU N  1 48 GLU H   170.00 -170.00 -171.21 -171.20 -172.66 0.15  2  0 "[    .    1    .    2]" 
       216 . 1 48 GLU CA 1 48 GLU C  1 49 LEU N  1 49 LEU CA  170.00 -170.00  172.67  169.28  178.38 0.72 11  0 "[    .    1    .    2]" 
       217 . 1 48 GLU O  1 48 GLU C  1 49 LEU N  1 49 LEU H   170.00 -170.00  179.04  172.45 -174.55    .  .  0 "[    .    1    .    2]" 
       218 . 1 49 LEU CA 1 49 LEU C  1 50 GLN N  1 50 GLN CA  170.00 -170.00  168.69  169.31  167.65 4.04  7  0 "[    .    1    .    2]" 
       219 . 1 49 LEU O  1 49 LEU C  1 50 GLN N  1 50 GLN H   170.00 -170.00 -173.14 -174.88 -177.01 0.78 20  0 "[    .    1    .    2]" 
       220 . 1 50 GLN CA 1 50 GLN C  1 51 GLU N  1 51 GLU CA  170.00 -170.00  169.21  168.32  167.53 2.47  1  0 "[    .    1    .    2]" 
       221 . 1 50 GLN O  1 50 GLN C  1 51 GLU N  1 51 GLU H   170.00 -170.00 -177.50  171.92 -171.86    .  .  0 "[    .    1    .    2]" 
       222 . 1 51 GLU CA 1 51 GLU C  1 52 MET N  1 52 MET CA  170.00 -170.00  170.20  171.24  170.66 1.96  7  0 "[    .    1    .    2]" 
       223 . 1 51 GLU O  1 51 GLU C  1 52 MET N  1 52 MET H   170.00 -170.00 -174.62 -174.72 -175.91 0.16 16  0 "[    .    1    .    2]" 
       224 . 1 52 MET CA 1 52 MET C  1 53 ILE N  1 53 ILE CA  170.00 -170.00 -176.76  179.87  174.57    .  .  0 "[    .    1    .    2]" 
       225 . 1 52 MET O  1 52 MET C  1 53 ILE N  1 53 ILE H   170.00 -170.00 -172.87 -174.37 -175.40 1.51  8  0 "[    .    1    .    2]" 
       226 . 1 53 ILE CA 1 53 ILE C  1 54 ASP N  1 54 ASP CA  170.00 -170.00  168.92  167.05  171.38 2.95  8  0 "[    .    1    .    2]" 
       227 . 1 53 ILE O  1 53 ILE C  1 54 ASP N  1 54 ASP H   170.00 -170.00  179.77  177.98  176.66    .  .  0 "[    .    1    .    2]" 
       228 . 1 54 ASP CA 1 54 ASP C  1 55 GLU N  1 55 GLU CA  170.00 -170.00  171.21  171.89  171.49 1.07 11  0 "[    .    1    .    2]" 
       229 . 1 54 ASP O  1 54 ASP C  1 55 GLU N  1 55 GLU H   170.00 -170.00 -178.35 -171.72 -172.78 0.24 13  0 "[    .    1    .    2]" 
       230 . 1 55 GLU CA 1 55 GLU C  1 56 ALA N  1 56 ALA CA  170.00 -170.00 -179.55  170.91 -168.86 1.14 15  0 "[    .    1    .    2]" 
       231 . 1 55 GLU O  1 55 GLU C  1 56 ALA N  1 56 ALA H   170.00 -170.00 -175.42  179.30 -169.30 0.70  1  0 "[    .    1    .    2]" 
       232 . 1 56 ALA CA 1 56 ALA C  1 57 ASP N  1 57 ASP CA  170.00 -170.00 -179.25  176.12  171.84 1.38  1  0 "[    .    1    .    2]" 
       233 . 1 56 ALA O  1 56 ALA C  1 57 ASP N  1 57 ASP H   170.00 -170.00 -175.84 -174.38 -175.24    .  .  0 "[    .    1    .    2]" 
       234 . 1 57 ASP CA 1 57 ASP C  1 58 ARG N  1 58 ARG CA  170.00 -170.00 -173.93  174.77 -169.04 0.96 14  0 "[    .    1    .    2]" 
       235 . 1 57 ASP O  1 57 ASP C  1 58 ARG N  1 58 ARG H   170.00 -170.00 -171.73 -170.71 -171.57 0.88  2  0 "[    .    1    .    2]" 
       236 . 1 58 ARG CA 1 58 ARG C  1 59 ASP N  1 59 ASP CA  170.00 -170.00  168.43  164.43  171.04 5.57  2  2 "[ +  .    1    . -  2]" 
       237 . 1 58 ARG O  1 58 ARG C  1 59 ASP N  1 59 ASP H   170.00 -170.00 -176.12  172.94 -169.48 0.52  6  0 "[    .    1    .    2]" 
       238 . 1 59 ASP CA 1 59 ASP C  1 60 GLY N  1 60 GLY CA  170.00 -170.00 -172.30 -171.05 -174.73 2.24  6  0 "[    .    1    .    2]" 
       239 . 1 59 ASP O  1 59 ASP C  1 60 GLY N  1 60 GLY H   170.00 -170.00 -174.90  169.87 -169.78 0.22  8  0 "[    .    1    .    2]" 
       240 . 1 60 GLY CA 1 60 GLY C  1 61 ASP N  1 61 ASP CA  170.00 -170.00 -177.91  172.28  170.67 0.64 16  0 "[    .    1    .    2]" 
       241 . 1 60 GLY O  1 60 GLY C  1 61 ASP N  1 61 ASP H   170.00 -170.00 -177.34  176.34 -169.91 0.09  8  0 "[    .    1    .    2]" 
       242 . 1 61 ASP CA 1 61 ASP C  1 62 GLY N  1 62 GLY CA  170.00 -170.00 -173.42 -169.71 -171.93 3.51 19  0 "[    .    1    .    2]" 
       243 . 1 61 ASP O  1 61 ASP C  1 62 GLY N  1 62 GLY H   170.00 -170.00 -173.29  176.84 -169.79 0.21 11  0 "[    .    1    .    2]" 
       244 . 1 62 GLY CA 1 62 GLY C  1 63 GLU N  1 63 GLU CA  170.00 -170.00 -170.99  176.62 -167.34 2.66 12  0 "[    .    1    .    2]" 
       245 . 1 62 GLY O  1 62 GLY C  1 63 GLU N  1 63 GLU H   170.00 -170.00 -176.54 -170.14 -173.47 0.26 19  0 "[    .    1    .    2]" 
       246 . 1 63 GLU CA 1 63 GLU C  1 64 VAL N  1 64 VAL CA  170.00 -170.00 -173.26  176.90 -167.54 2.46 18  0 "[    .    1    .    2]" 
       247 . 1 63 GLU O  1 63 GLU C  1 64 VAL N  1 64 VAL H   170.00 -170.00  171.55  169.17  168.58 1.84  1  0 "[    .    1    .    2]" 
       248 . 1 64 VAL CA 1 64 VAL C  1 65 SER N  1 65 SER CA  170.00 -170.00 -173.11 -172.53 -173.36 2.06 10  0 "[    .    1    .    2]" 
       249 . 1 64 VAL O  1 64 VAL C  1 65 SER N  1 65 SER H   170.00 -170.00 -168.69 -170.05 -167.71 2.29 13  0 "[    .    1    .    2]" 
       250 . 1 65 SER CA 1 65 SER C  1 66 GLU N  1 66 GLU CA  170.00 -170.00  173.97  174.47  170.92 2.36  1  0 "[    .    1    .    2]" 
       251 . 1 65 SER O  1 65 SER C  1 66 GLU N  1 66 GLU H   170.00 -170.00 -178.92  174.42 -173.47    .  .  0 "[    .    1    .    2]" 
       252 . 1 66 GLU CA 1 66 GLU C  1 67 GLN N  1 67 GLN CA  170.00 -170.00  171.67  169.38  176.32 0.62 15  0 "[    .    1    .    2]" 
       253 . 1 66 GLU O  1 66 GLU C  1 67 GLN N  1 67 GLN H   170.00 -170.00 -170.32 -175.18 -169.31 0.69  1  0 "[    .    1    .    2]" 
       254 . 1 67 GLN CA 1 67 GLN C  1 68 GLU N  1 68 GLU CA  170.00 -170.00  178.80  178.25  178.10    .  .  0 "[    .    1    .    2]" 
       255 . 1 67 GLN O  1 67 GLN C  1 68 GLU N  1 68 GLU H   170.00 -170.00  169.16  168.23  170.34 1.77  7  0 "[    .    1    .    2]" 
       256 . 1 68 GLU CA 1 68 GLU C  1 69 PHE N  1 69 PHE CA  170.00 -170.00  170.40  170.21  170.03 0.88  1  0 "[    .    1    .    2]" 
       257 . 1 68 GLU O  1 68 GLU C  1 69 PHE N  1 69 PHE H   170.00 -170.00 -170.93 -170.29 -171.27 0.37 18  0 "[    .    1    .    2]" 
       258 . 1 69 PHE CA 1 69 PHE C  1 70 LEU N  1 70 LEU CA  170.00 -170.00  179.40  177.75  171.15    .  .  0 "[    .    1    .    2]" 
       259 . 1 69 PHE O  1 69 PHE C  1 70 LEU N  1 70 LEU H   170.00 -170.00 -169.43 -169.41 -169.47 1.00 18  0 "[    .    1    .    2]" 
       260 . 1 70 LEU CA 1 70 LEU C  1 71 ARG N  1 71 ARG CA  170.00 -170.00 -178.16  178.76 -170.85    .  .  0 "[    .    1    .    2]" 
       261 . 1 70 LEU O  1 70 LEU C  1 71 ARG N  1 71 ARG H   170.00 -170.00 -172.56 -179.29 -169.77 0.23 11  0 "[    .    1    .    2]" 
       262 . 1 71 ARG CA 1 71 ARG C  1 72 ILE N  1 72 ILE CA  170.00 -170.00  170.82  170.64  170.02 0.63  6  0 "[    .    1    .    2]" 
       263 . 1 71 ARG O  1 71 ARG C  1 72 ILE N  1 72 ILE H   170.00 -170.00 -170.97 -170.55 -170.76 0.13  3  0 "[    .    1    .    2]" 
       264 . 1 72 ILE CA 1 72 ILE C  1 73 MET N  1 73 MET CA  170.00 -170.00  169.45  170.56  170.09 1.96  9  0 "[    .    1    .    2]" 
       265 . 1 72 ILE O  1 72 ILE C  1 73 MET N  1 73 MET H   170.00 -170.00  175.52  176.36  176.19    .  .  0 "[    .    1    .    2]" 
       266 . 1 73 MET CA 1 73 MET C  1 74 LYS N  1 74 LYS CA  170.00 -170.00 -176.86 -169.90 -173.82 0.63  5  0 "[    .    1    .    2]" 
       267 . 1 73 MET O  1 73 MET C  1 74 LYS N  1 74 LYS H   170.00 -170.00  179.82 -178.87 -178.97    .  .  0 "[    .    1    .    2]" 
       268 . 1 74 LYS CA 1 74 LYS C  1 75 LYS N  1 75 LYS CA  170.00 -170.00 -178.48  175.72 -170.54    .  .  0 "[    .    1    .    2]" 
       269 . 1 74 LYS O  1 74 LYS C  1 75 LYS N  1 75 LYS H   170.00 -170.00 -178.72  176.00 -168.67 1.33  4  0 "[    .    1    .    2]" 
       270 . 1 75 LYS CA 1 75 LYS C  1 76 THR N  1 76 THR CA  170.00 -170.00  174.61  168.48 -175.45 1.52 12  0 "[    .    1    .    2]" 
       271 . 1 75 LYS O  1 75 LYS C  1 76 THR N  1 76 THR H   170.00 -170.00  178.85  174.77 -179.67    .  .  0 "[    .    1    .    2]" 
       272 . 1 76 THR CA 1 76 THR C  1 77 SER N  1 77 SER CA  170.00 -170.00  174.53 -179.43  179.61 1.71 18  0 "[    .    1    .    2]" 
       273 . 1 76 THR O  1 76 THR C  1 77 SER N  1 77 SER H   170.00 -170.00  177.94  171.50 -178.82    .  .  0 "[    .    1    .    2]" 
       274 . 1 77 SER CA 1 77 SER C  1 78 LEU N  1 78 LEU CA  170.00 -170.00 -175.14 -169.91 -171.30 0.65  3  0 "[    .    1    .    2]" 
       275 . 1 77 SER O  1 77 SER C  1 78 LEU N  1 78 LEU H   170.00 -170.00  174.76  172.36  170.01 0.56  4  0 "[    .    1    .    2]" 
       276 . 1 78 LEU CA 1 78 LEU C  1 79 TYR N  1 79 TYR CA  170.00 -170.00  179.04  178.56  176.82 0.23 12  0 "[    .    1    .    2]" 
       277 . 1 78 LEU O  1 78 LEU C  1 79 TYR N  1 79 TYR H   170.00 -170.00  177.33  169.64 -169.74 0.36 12  0 "[    .    1    .    2]" 
       278 . 2  1 ASN CA 2  1 ASN C  2  2 TRP N  2  2 TRP CA  170.00 -170.00  171.06  169.20  168.96 1.12  5  0 "[    .    1    .    2]" 
       279 . 2  1 ASN O  2  1 ASN C  2  2 TRP N  2  2 TRP H   170.00 -170.00 -173.71 -172.42 -172.64 0.15 11  0 "[    .    1    .    2]" 
       280 . 2  2 TRP CA 2  2 TRP C  2  3 LYS N  2  3 LYS CA  170.00 -170.00  170.08  168.45  173.66 1.55 15  0 "[    .    1    .    2]" 
       281 . 2  2 TRP O  2  2 TRP C  2  3 LYS N  2  3 LYS H   170.00 -170.00  178.79  179.49  179.37    .  .  0 "[    .    1    .    2]" 
       282 . 2  3 LYS CA 2  3 LYS C  2  4 LEU N  2  4 LEU CA  170.00 -170.00  169.34  168.14  170.58 1.86 20  0 "[    .    1    .    2]" 
       283 . 2  3 LYS O  2  3 LYS C  2  4 LEU N  2  4 LEU H   170.00 -170.00  178.73  174.44 -176.90    .  .  0 "[    .    1    .    2]" 
       284 . 2  4 LEU CA 2  4 LEU C  2  5 LEU N  2  5 LEU CA  170.00 -170.00  168.96  167.66  169.84 2.34 11  0 "[    .    1    .    2]" 
       285 . 2  4 LEU O  2  4 LEU C  2  5 LEU N  2  5 LEU H   170.00 -170.00 -174.76 -172.87 -173.35    .  .  0 "[    .    1    .    2]" 
       286 . 2  5 LEU CA 2  5 LEU C  2  6 ALA N  2  6 ALA CA  170.00 -170.00  171.18  171.54  170.80 1.13  5  0 "[    .    1    .    2]" 
       287 . 2  5 LEU O  2  5 LEU C  2  6 ALA N  2  6 ALA H   170.00 -170.00 -174.62 -176.33 -177.25    .  .  0 "[    .    1    .    2]" 
       288 . 2  6 ALA CA 2  6 ALA C  2  7 LYS N  2  7 LYS CA  170.00 -170.00  166.88  166.15  167.58 3.85 20  0 "[    .    1    .    2]" 
       289 . 2  6 ALA O  2  6 ALA C  2  7 LYS N  2  7 LYS H   170.00 -170.00  172.98  169.60  176.45 0.40 20  0 "[    .    1    .    2]" 
       290 . 2  7 LYS CA 2  7 LYS C  2  8 GLY N  2  8 GLY CA  170.00 -170.00  168.19  167.29  170.15 2.71 20  0 "[    .    1    .    2]" 
       291 . 2  7 LYS O  2  7 LYS C  2  8 GLY N  2  8 GLY H   170.00 -170.00 -174.50 -173.02 -173.70 0.06  9  0 "[    .    1    .    2]" 
       292 . 2  8 GLY CA 2  8 GLY C  2  9 LEU N  2  9 LEU CA  170.00 -170.00  167.40  166.80  168.35 3.20 20  0 "[    .    1    .    2]" 
       293 . 2  8 GLY O  2  8 GLY C  2  9 LEU N  2  9 LEU H   170.00 -170.00 -178.37  177.58 -171.65    .  .  0 "[    .    1    .    2]" 
       294 . 2  9 LEU CA 2  9 LEU C  2 10 LEU N  2 10 LEU CA  170.00 -170.00  163.93  164.42  164.23 8.18 20 19 "[*-************** **+]" 
       295 . 2  9 LEU O  2  9 LEU C  2 10 LEU N  2 10 LEU H   170.00 -170.00  175.86  169.69 -178.97 0.31 17  0 "[    .    1    .    2]" 
       296 . 2 10 LEU O  2 10 LEU C  2 11 ILE N  2 11 ILE H   170.00 -170.00  168.51  168.16  169.65 1.84  2  0 "[    .    1    .    2]" 
       297 . 2 11 ILE CA 2 11 ILE C  2 12 ARG N  2 12 ARG CA  170.00 -170.00 -169.58 -170.15 -170.85 3.12 17  0 "[    .    1    .    2]" 
       298 . 2 11 ILE O  2 11 ILE C  2 12 ARG N  2 12 ARG H   170.00 -170.00 -168.84 -169.01 -169.14 1.69  7  0 "[    .    1    .    2]" 
       299 . 2 12 ARG CA 2 12 ARG C  2 13 GLU N  2 13 GLU CA  170.00 -170.00  179.28  176.65  174.68 1.16 19  0 "[    .    1    .    2]" 
       300 . 2 12 ARG O  2 12 ARG C  2 13 GLU N  2 13 GLU H   170.00 -170.00 -176.00  179.93 -172.00    .  .  0 "[    .    1    .    2]" 
       301 . 2 13 GLU CA 2 13 GLU C  2 14 ARG N  2 14 ARG CA  170.00 -170.00  178.05 -178.91  178.51 0.17 17  0 "[    .    1    .    2]" 
       302 . 2 13 GLU O  2 13 GLU C  2 14 ARG N  2 14 ARG H   170.00 -170.00 -179.55  179.32 -178.90    .  .  0 "[    .    1    .    2]" 
       303 . 2 14 ARG CA 2 14 ARG C  2 15 LEU N  2 15 LEU CA  170.00 -170.00  179.32  169.77 -169.85 0.23 19  0 "[    .    1    .    2]" 
       304 . 2 14 ARG O  2 14 ARG C  2 15 LEU N  2 15 LEU H   170.00 -170.00 -179.77  179.82  179.63    .  .  0 "[    .    1    .    2]" 
       305 . 2 15 LEU CA 2 15 LEU C  2 16 LYS N  2 16 LYS CA  170.00 -170.00 -179.03  176.64 -173.23    .  .  0 "[    .    1    .    2]" 
       306 . 2 15 LEU O  2 15 LEU C  2 16 LYS N  2 16 LYS H   170.00 -170.00 -179.97 -179.99 -179.99    .  .  0 "[    .    1    .    2]" 
       307 . 2 16 LYS CA 2 16 LYS C  2 17 ARG N  2 17 ARG CA  170.00 -170.00 -177.60  177.47 -169.62 0.38 10  0 "[    .    1    .    2]" 
       308 . 2 16 LYS O  2 16 LYS C  2 17 ARG N  2 17 ARG H   170.00 -170.00  179.90  179.42  179.27    .  .  0 "[    .    1    .    2]" 
    stop_

save_



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, May 16, 2024 4:02:45 PM GMT (wattos1)