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
548226 2lx0 18655 cing 4-filtered-FRED Wattos check violation distance


data_2lx0


save_distance_constraint_statistics_1
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            1
    _Distance_constraint_stats_list.Constraint_count              736
    _Distance_constraint_stats_list.Viol_count                    3355
    _Distance_constraint_stats_list.Viol_total                    5740.006
    _Distance_constraint_stats_list.Viol_max                      0.256
    _Distance_constraint_stats_list.Viol_rms                      0.0128
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0031
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0342
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

Description of the tags in the per residue table below:
*  1 * Chain identifier (can be absent if none defined)                   
*  2 * Residue number                                                     
*  3 * Residue name                                                       
*  4 * Maximum violation in ensemble of models (without any averaging)
*  5 * Model number with the maximum violation
*  6 * Number of models with a violation above cutoff
*  7 * List of models (1 character per model) with a violation above cutoff.
           An '*' marks a violation above the cutoff. A '+' indicates the largest
           violation above the cutoff and a '-' marks the smallest violation over cutoff.
           For models  5, 15, 25,... a ' ' is replaced by a '.'.
           For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
*  8 * Administrative tag
*  9 * Administrative tag

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                                
           First node, FIRST member, first atom's:                              
*  2 * Chain identifier (can be absent if none defined)                   
*  3 * Residue number                                                     
*  4 * Residue name                                                       
*  5 * Name of (pseudo-)atom                                              
           First node, SECOND member, first atom's:                             
*  6 * Chain identifier (can be absent if none defined)                   
*  7 * Residue number                                                     
*  8 * Residue name                                                       
*  9 * Name of (pseudo-)atom                                              
           FIRST node's:
*  10 * Target distance value (Angstrom)
*  11 * Lower bound distance (Angstrom)
*  12 * Upper bound distance (Angstrom)
*  13 * Average distance in ensemble of models
*  14 * Minimum distance in ensemble of models
*  15 * Maximum distance in ensemble of models
*  16 * Maximum violation (without any averaging)
*  17 * Model number with the maximum violation
*  18 * Number of models with a violation above cutoff
*  19 * List of models with a violation above cutoff. See description above.
*  20 * Administrative tag
*  21 * Administrative tag
;


    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1  1 LYS  0.000 0.000  . 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  2 LYS  1.051 0.079 38 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  3 HIS  4.102 0.135 27 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  4 THR  5.218 0.121 37 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  5 ILE 12.193 0.135 27 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  6 TRP  2.081 0.072  5 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  7 GLU 10.670 0.121 37 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  8 VAL  0.052 0.015 25 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  9 ILE 17.743 0.092 37 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 10 ALA 13.160 0.119 47 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 11 GLY  0.000 0.000  . 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 12 LEU  4.665 0.090  9 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 13 VAL 11.107 0.059 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 14 ALA  4.552 0.115 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 15 LEU  5.406 0.103 40 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 16 LEU  5.822 0.099 21 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 17 THR  4.589 0.116 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 18 PHE  3.834 0.124 40 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 19 LEU  6.567 0.126 28 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 20 ALA  2.645 0.080 29 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 21 PHE  6.353 0.116 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 22 GLY  2.452 0.126 35 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 23 PHE  9.796 0.154 50 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 24 TRP  9.991 0.092 44 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 25 LEU  9.259 0.106 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 26 PHE 10.961 0.256 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 27 LYS  8.512 0.256 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 28 TYR 10.256 0.194 50 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 29 LEU  8.387 0.194 50 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 30 GLN  5.731 0.152 33 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 31 LYS  3.539 0.166 44 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 32 LYS  3.114 0.188 34 0 "[    .    1    .    2    .    3    .    4    .    5]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

         1 1  1 LYS QB  1  1 LYS QE  3.900 . 6.000 3.158 2.009 3.747     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
         2 1  2 LYS HA  1  2 LYS QD  3.900 . 6.000 3.593 2.099 4.267     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
         3 1  2 LYS QB  1  2 LYS QE  3.900 . 6.000 2.851 2.037 3.837     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
         4 1  3 HIS QB  1  3 HIS HD2 2.900 . 4.000 2.738 2.674 2.757     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
         5 1  3 HIS HA  1  3 HIS HD2 3.400 . 5.000 4.742 4.619 4.898     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
         6 1  3 HIS H   1  3 HIS QB  3.400 . 5.000 2.694 2.200 3.098     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
         7 1  3 HIS H   1  3 HIS HD2 3.900 . 6.000 5.821 5.288 6.097 0.097 29 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
         8 1  3 HIS HA  1  3 HIS HE1 3.900 . 6.000 4.542 4.352 5.999     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
         9 1  4 THR HA  1  4 THR MG  2.900 . 4.000 3.177 3.168 3.195     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        10 1  4 THR H   1  4 THR MG  2.900 . 4.000 1.915 1.769 2.325 0.031 37 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        11 1  5 ILE HB  1  5 ILE MG  2.300 . 2.800 2.138 2.122 2.151     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        12 1  5 ILE QG  1  5 ILE MG  2.300 . 2.800 2.087 2.018 2.131     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        13 1  5 ILE HB  1  5 ILE MD  2.300 . 2.800 2.145 2.141 2.154     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        14 1  5 ILE MD  1  5 ILE MG  2.900 . 4.000 2.464 2.367 2.519     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        15 1  5 ILE HA  1  5 ILE MG  2.900 . 4.000 2.253 2.226 2.268     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        16 1  5 ILE HA  1  5 ILE HB  2.900 . 4.000 2.581 2.568 2.593     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        17 1  5 ILE HA  1  5 ILE MD  2.900 . 4.000 4.054 4.048 4.066 0.066 29 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        18 1  5 ILE H   1  5 ILE MD  2.900 . 4.000 3.586 3.545 3.656     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        19 1  5 ILE HA  1  5 ILE QG  2.900 . 4.000 3.266 3.256 3.271     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        20 1  5 ILE H   1  5 ILE HA  2.900 . 4.000 2.955 2.927 2.964     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        21 1  5 ILE H   1  5 ILE HB  2.900 . 4.000 3.633 3.576 3.695     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        22 1  5 ILE H   1  5 ILE MG  3.400 . 5.000 3.008 2.807 3.134     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        23 1  5 ILE H   1  5 ILE QG  3.400 . 5.000 1.803 1.782 1.871 0.018 29 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        24 1  6 TRP HA  1  6 TRP HE3 2.900 . 4.000 2.327 2.285 2.341     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        25 1  6 TRP QB  1  6 TRP HD1 2.900 . 4.000 2.489 2.486 2.492     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        26 1  6 TRP HA  1  6 TRP HD1 3.400 . 5.000 4.199 4.186 4.217     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        27 1  6 TRP H   1  6 TRP QB  2.900 . 4.000 2.095 2.078 2.112     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        28 1  6 TRP QB  1  6 TRP HE3 2.900 . 4.000 3.163 3.145 3.200     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        29 1  6 TRP H   1  6 TRP HA  2.900 . 4.000 2.726 2.711 2.734     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        30 1  6 TRP HA  1  6 TRP HZ3 3.400 . 5.000 4.431 4.400 4.441     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        31 1  6 TRP H   1  6 TRP HZ3 3.900 . 6.000 4.828 4.763 4.890     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        32 1  6 TRP QB  1  6 TRP HZ3 3.900 . 6.000 5.277 5.264 5.303     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        33 1  6 TRP HA  1  6 TRP HE1 3.900 . 6.000 5.149 5.135 5.165     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        34 1  7 GLU H   1  7 GLU HA  2.900 . 4.000 2.777 2.732 2.815     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        35 1  7 GLU HA  1  7 GLU QG  2.900 . 4.000 2.334 2.167 2.529     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        36 1  7 GLU H   1  7 GLU QG  3.400 . 5.000 2.905 2.097 3.357     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        37 1  7 GLU H   1  7 GLU QB  3.400 . 5.000 2.142 2.025 2.485     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        38 1  8 VAL HA  1  8 VAL QG  2.300 . 2.800 2.099 2.076 2.117     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        39 1  8 VAL H   1  8 VAL QG  2.900 . 4.000 2.180 2.016 2.492     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        40 1  8 VAL HA  1  8 VAL HB  2.900 . 4.000 3.011 2.999 3.026     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        41 1  8 VAL H   1  8 VAL HA  2.900 . 4.000 2.944 2.933 2.956     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        42 1  8 VAL H   1  8 VAL HB  2.900 . 4.000 2.742 2.645 2.804     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        43 1  9 ILE QG  1  9 ILE MG  2.300 . 2.800 2.541 2.528 2.547     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        44 1  9 ILE MD  1  9 ILE MG  2.300 . 2.800 1.772 1.769 1.775 0.031 48 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        45 1  9 ILE HA  1  9 ILE MG  2.900 . 4.000 3.139 3.123 3.144     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        46 1  9 ILE HB  1  9 ILE MG  2.300 . 2.800 2.120 2.114 2.122     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        47 1  9 ILE H   1  9 ILE HA  2.900 . 4.000 2.949 2.947 2.953     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        48 1  9 ILE H   1  9 ILE QG  2.900 . 4.000 4.070 4.058 4.092 0.092 37 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        49 1  9 ILE H   1  9 ILE MG  2.900 . 4.000 1.896 1.876 1.946     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        50 1  9 ILE HB  1  9 ILE MD  2.900 . 4.000 3.133 3.131 3.138     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        51 1  9 ILE HA  1  9 ILE MD  2.900 . 4.000 3.719 3.701 3.739     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        52 1  9 ILE H   1  9 ILE MD  2.900 . 4.000 3.515 3.438 3.542     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        53 1  9 ILE HA  1  9 ILE HB  2.900 . 4.000 2.298 2.282 2.303     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        54 1  9 ILE H   1  9 ILE HB  2.900 . 4.000 3.305 3.270 3.350     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        55 1 10 ALA HA  1 10 ALA MB  2.300 . 2.800 2.141 2.139 2.144     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        56 1 10 ALA H   1 10 ALA MB  2.300 . 2.800 2.248 2.242 2.263     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        57 1 10 ALA H   1 10 ALA HA  2.900 . 4.000 2.861 2.854 2.879     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        58 1 12 LEU HA  1 12 LEU QD  2.300 . 2.800 2.368 2.274 2.542     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        59 1 12 LEU QB  1 12 LEU QD  2.300 . 2.800 1.882 1.867 1.896     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        60 1 12 LEU H   1 12 LEU QD  2.900 . 4.000 3.798 3.766 3.825     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        61 1 12 LEU H   1 12 LEU HA  2.900 . 4.000 2.934 2.931 2.937     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        62 1 12 LEU H   1 12 LEU QB  2.900 . 4.000 2.396 2.383 2.406     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        63 1 12 LEU H   1 12 LEU HG  3.400 . 5.000 4.437 4.424 4.446     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        64 1 13 VAL HA  1 13 VAL QG  2.300 . 2.800 2.090 2.073 2.101     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        65 1 13 VAL H   1 13 VAL QG  2.300 . 2.800 2.645 2.617 2.696     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        66 1 13 VAL H   1 13 VAL HA  2.900 . 4.000 2.963 2.961 2.965     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        67 1 13 VAL H   1 13 VAL HB  2.900 . 4.000 2.591 2.526 2.650     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        68 1 13 VAL HA  1 13 VAL HB  2.900 . 4.000 3.027 3.024 3.030     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        69 1 14 ALA HA  1 14 ALA MB  2.300 . 2.800 2.139 2.102 2.146     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        70 1 14 ALA H   1 14 ALA HA  2.900 . 4.000 2.730 2.726 2.736     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        71 1 15 LEU QB  1 15 LEU QD  2.300 . 2.800 1.911 1.896 1.922     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        72 1 15 LEU HA  1 15 LEU QD  2.300 . 2.800 2.093 2.084 2.149     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        73 1 15 LEU QB  1 15 LEU HG  2.300 . 2.800 2.377 2.366 2.413     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        74 1 15 LEU HA  1 15 LEU HG  2.900 . 4.000 3.019 2.714 3.096     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        75 1 15 LEU H   1 15 LEU HG  3.400 . 5.000 3.897 1.902 4.470     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        76 1 15 LEU H   1 15 LEU QD  2.900 . 4.000 3.481 2.840 3.680     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        77 1 15 LEU H   1 15 LEU HA  2.900 . 4.000 2.836 2.805 2.854     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        78 1 15 LEU H   1 15 LEU QB  2.900 . 4.000 2.322 2.253 2.533     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        79 1 16 LEU QB  1 16 LEU QD  2.300 . 2.800 1.946 1.936 1.949     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        80 1 16 LEU HA  1 16 LEU QD  2.300 . 2.800 2.093 2.087 2.131     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        81 1 16 LEU H   1 16 LEU QD  2.300 . 2.800 2.819 2.808 2.845 0.045 27 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        82 1 16 LEU H   1 16 LEU QB  2.900 . 4.000 2.598 2.562 2.638     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        83 1 16 LEU HA  1 16 LEU HG  2.900 . 4.000 3.290 3.226 3.307     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        84 1 17 THR HA  1 17 THR MG  2.300 . 2.800 2.545 2.349 2.636     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        85 1 17 THR HB  1 17 THR MG  2.300 . 2.800 2.138 2.121 2.141     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        86 1 17 THR H   1 17 THR MG  2.900 . 4.000 3.673 3.598 3.859     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        87 1 17 THR HA  1 17 THR HB  2.900 . 4.000 2.992 2.980 3.024     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        88 1 17 THR H   1 17 THR HA  2.900 . 4.000 2.951 2.932 2.958     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        89 1 17 THR H   1 17 THR HB  2.900 . 4.000 2.532 2.370 2.757     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        90 1 18 PHE HA  1 18 PHE QB  2.300 . 2.800 2.464 2.445 2.482     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        91 1 18 PHE H   1 18 PHE QB  2.900 . 4.000 2.159 2.135 2.197     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        92 1 18 PHE H   1 18 PHE HA  2.900 . 4.000 2.724 2.699 2.870     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        93 1 18 PHE H   1 18 PHE QD  3.400 . 5.000 3.859 3.778 3.970     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        94 1 18 PHE HA  1 18 PHE QE  3.400 . 5.000 4.313 4.222 4.413     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        95 1 18 PHE H   1 18 PHE QE  3.900 . 6.000 5.992 5.937 6.073 0.073 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        96 1 18 PHE HA  1 18 PHE HZ  3.900 . 6.000 5.651 5.589 5.694     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        97 1 19 LEU HA  1 19 LEU QD  2.300 . 2.800 1.980 1.962 2.248     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        98 1 19 LEU QB  1 19 LEU QD  2.300 . 2.800 2.001 1.940 2.005     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
        99 1 19 LEU H   1 19 LEU QD  2.300 . 2.800 1.889 1.801 2.529     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       100 1 19 LEU H   1 19 LEU HG  2.900 . 4.000 3.768 1.827 3.944     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       101 1 19 LEU HA  1 19 LEU HG  2.900 . 4.000 3.604 2.494 3.646     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       102 1 19 LEU H   1 19 LEU QB  2.900 . 4.000 2.244 2.210 2.682     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       103 1 20 ALA HA  1 20 ALA MB  2.300 . 2.800 2.109 2.097 2.141     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       104 1 20 ALA H   1 20 ALA MB  2.300 . 2.800 2.125 2.040 2.298     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       105 1 20 ALA H   1 20 ALA HA  2.900 . 4.000 2.800 2.705 2.940     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       106 1 21 PHE QB  1 21 PHE QE  2.900 . 4.000 3.968 3.962 3.975     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       107 1 21 PHE QB  1 21 PHE QD  2.300 . 2.800 2.156 2.149 2.169     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       108 1 21 PHE H   1 21 PHE QB  2.900 . 4.000 2.331 2.279 2.539     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       109 1 21 PHE HA  1 21 PHE QD  2.900 . 4.000 3.032 2.328 3.104     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       110 1 21 PHE H   1 21 PHE HA  2.900 . 4.000 2.892 2.872 2.927     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       111 1 21 PHE HA  1 21 PHE QE  3.400 . 5.000 4.562 4.459 4.621     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       112 1 21 PHE H   1 21 PHE QD  2.900 . 4.000 1.996 1.869 2.963     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       113 1 21 PHE H   1 21 PHE QE  3.400 . 5.000 4.256 4.177 4.411     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       114 1 21 PHE H   1 21 PHE HZ  3.900 . 6.000 6.026 5.511 6.091 0.091 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       115 1 23 PHE HA  1 23 PHE QB  2.300 . 2.800 2.447 2.212 2.542     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       116 1 23 PHE QB  1 23 PHE QD  2.900 . 4.000 2.162 2.142 2.178     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       117 1 23 PHE H   1 23 PHE QB  2.900 . 4.000 2.111 2.055 2.207     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       118 1 23 PHE H   1 23 PHE HA  2.900 . 4.000 2.759 2.700 2.791     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       119 1 23 PHE H   1 23 PHE QD  2.900 . 4.000 3.553 2.896 4.132 0.132 50 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       120 1 23 PHE HA  1 23 PHE QE  3.400 . 5.000 4.362 4.157 4.944     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       121 1 23 PHE H   1 23 PHE QE  3.900 . 6.000 5.556 5.212 6.154 0.154 50 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       122 1 24 TRP HA  1 24 TRP HD1 2.900 . 4.000 2.534 2.439 2.717     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       123 1 24 TRP QB  1 24 TRP HD1 2.900 . 4.000 2.818 2.761 2.853     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       124 1 24 TRP H   1 24 TRP QB  2.900 . 4.000 2.317 2.217 2.408     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       125 1 24 TRP H   1 24 TRP HA  2.900 . 4.000 2.919 2.775 2.953     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       126 1 24 TRP H   1 24 TRP HD1 3.400 . 5.000 5.043 4.961 5.092 0.092 44 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       127 1 24 TRP QB  1 24 TRP HE3 2.900 . 4.000 2.445 2.435 2.457     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       128 1 24 TRP HA  1 24 TRP HE3 3.400 . 5.000 5.045 4.978 5.078 0.078 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       129 1 24 TRP H   1 24 TRP HE3 3.400 . 5.000 4.528 4.413 4.621     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       130 1 24 TRP HA  1 24 TRP HE1 3.900 . 6.000 4.828 4.744 4.952     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       131 1 24 TRP QB  1 24 TRP HZ3 3.900 . 6.000 4.741 4.728 4.758     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       132 1 25 LEU QB  1 25 LEU QD  2.300 . 2.800 1.898 1.889 1.906     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       133 1 25 LEU HA  1 25 LEU QD  2.300 . 2.800 2.227 2.196 2.254     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       134 1 25 LEU H   1 25 LEU QD  2.900 . 4.000 3.216 3.138 3.307     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       135 1 25 LEU H   1 25 LEU HA  2.900 . 4.000 2.606 2.588 2.669     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       136 1 25 LEU H   1 25 LEU QB  2.900 . 4.000 2.365 2.296 2.406     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       137 1 25 LEU HA  1 25 LEU HG  3.400 . 5.000 2.336 2.284 2.397     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       138 1 25 LEU H   1 25 LEU HG  3.400 . 5.000 2.619 2.557 2.671     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       139 1 26 PHE QB  1 26 PHE QD  2.900 . 4.000 2.179 2.159 2.190     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       140 1 26 PHE H   1 26 PHE HA  2.900 . 4.000 2.858 2.814 2.878     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       141 1 26 PHE HA  1 26 PHE QE  3.400 . 5.000 4.542 4.498 4.588     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       142 1 26 PHE H   1 26 PHE QB  2.900 . 4.000 2.651 2.617 2.708     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       143 1 26 PHE H   1 26 PHE QD  2.900 . 4.000 2.883 2.771 2.943     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       144 1 26 PHE QB  1 26 PHE QE  2.900 . 4.000 3.976 3.966 3.981     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       145 1 26 PHE H   1 26 PHE QE  3.400 . 5.000 4.027 3.926 4.069     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       146 1 26 PHE H   1 26 PHE HZ  3.400 . 5.000 5.048 4.914 5.080 0.080 24 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       147 1 27 LYS HA  1 27 LYS QD  2.900 . 4.000 2.622 2.087 4.038 0.038 17 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       148 1 27 LYS HA  1 27 LYS QG  2.900 . 4.000 2.834 2.215 3.340     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       149 1 27 LYS H   1 27 LYS QG  2.900 . 4.000 2.064 1.736 3.339 0.064 39 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       150 1 27 LYS QG  1 27 LYS QZ  2.900 . 4.000 2.597 1.743 3.410 0.057 47 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       151 1 27 LYS H   1 27 LYS HA  2.900 . 4.000 2.772 2.715 2.962     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       152 1 27 LYS QD  1 27 LYS QZ  2.900 . 4.000 2.108 1.883 2.422     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       153 1 27 LYS H   1 27 LYS QB  2.900 . 4.000 2.588 2.260 2.963     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       154 1 27 LYS HA  1 27 LYS QZ  3.400 . 5.000 3.742 1.787 4.185 0.013 39 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       155 1 27 LYS H   1 27 LYS QZ  3.400 . 5.000 3.863 2.778 5.025 0.025 42 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       156 1 27 LYS QB  1 27 LYS QZ  3.400 . 5.000 3.681 1.794 4.284 0.006  5 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       157 1 27 LYS H   1 27 LYS QD  3.400 . 5.000 2.659 1.747 3.748 0.053 28 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       158 1 27 LYS QB  1 27 LYS QE  3.900 . 6.000 3.360 2.268 3.725     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       159 1 27 LYS HA  1 27 LYS QE  3.900 . 6.000 4.257 3.575 4.928     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       160 1 28 TYR HA  1 28 TYR QD  2.300 . 2.800 2.865 2.761 2.991 0.191 33 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       161 1 28 TYR QB  1 28 TYR QD  2.900 . 4.000 2.155 2.143 2.161     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       162 1 28 TYR H   1 28 TYR HA  2.900 . 4.000 2.951 2.883 2.968     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       163 1 28 TYR HA  1 28 TYR QE  3.400 . 5.000 4.979 4.901 5.040 0.040 43 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       164 1 28 TYR H   1 28 TYR QB  2.900 . 4.000 2.473 2.270 2.815     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       165 1 28 TYR H   1 28 TYR QD  2.900 . 4.000 3.734 3.554 3.997     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       166 1 28 TYR QB  1 28 TYR QE  2.900 . 4.000 3.966 3.956 3.971     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       167 1 28 TYR H   1 28 TYR QE  3.900 . 6.000 5.659 5.540 5.788     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       168 1 29 LEU HA  1 29 LEU QD  2.300 . 2.800 2.365 1.957 2.905 0.105 47 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       169 1 29 LEU H   1 29 LEU QD  2.900 . 4.000 3.738 3.419 3.835     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       170 1 29 LEU H   1 29 LEU HA  2.900 . 4.000 2.918 2.890 2.951     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       171 1 29 LEU H   1 29 LEU QB  2.900 . 4.000 2.269 2.109 2.393     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       172 1 29 LEU H   1 29 LEU HG  3.400 . 5.000 4.227 2.998 4.787     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       173 1 30 GLN H   1 30 GLN HA  2.900 . 4.000 2.881 2.764 2.935     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       174 1 30 GLN HA  1 30 GLN QG  2.900 . 4.000 2.390 2.317 2.531     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       175 1 30 GLN H   1 30 GLN QB  2.900 . 4.000 2.248 2.155 2.320     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       176 1 30 GLN H   1 30 GLN QG  2.900 . 4.000 3.924 3.861 4.028 0.028 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       177 1 30 GLN HA  1 30 GLN QE  3.900 . 6.000 4.015 3.329 4.076     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       178 1 30 GLN H   1 30 GLN QE  3.900 . 6.000 4.063 3.589 4.305     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       179 1 31 LYS QD  1 31 LYS QG  2.300 . 2.800 2.082 2.054 2.105     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       180 1 31 LYS H   1 31 LYS HA  2.900 . 4.000 2.954 2.910 2.962     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       181 1 31 LYS H   1 31 LYS QB  2.900 . 4.000 2.331 2.143 2.654     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       182 1 31 LYS HA  1 31 LYS QD  3.400 . 5.000 2.404 2.249 3.684     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       183 1 31 LYS H   1 31 LYS QG  3.400 . 5.000 3.907 3.430 4.203     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       184 1 31 LYS HA  1 31 LYS QG  3.400 . 5.000 2.321 2.255 2.414     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       185 1 31 LYS QB  1 31 LYS QZ  3.400 . 5.000 4.069 3.174 4.266     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       186 1 31 LYS H   1 31 LYS QD  3.400 . 5.000 2.651 2.366 3.295     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       187 1 31 LYS QB  1 31 LYS QE  3.400 . 5.000 3.459 3.342 3.728     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       188 1 31 LYS QG  1 31 LYS QZ  3.900 . 6.000 3.281 2.326 3.376     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       189 1 31 LYS H   1 31 LYS QZ  3.900 . 6.000 4.383 3.981 4.808     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       190 1 32 LYS H   1 32 LYS HA  2.900 . 4.000 2.777 2.299 2.956     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       191 1 32 LYS H   1 32 LYS QB  2.900 . 4.000 2.846 2.075 3.352     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       192 1 32 LYS H   1 32 LYS QG  2.900 . 4.000 2.584 1.785 3.989 0.015 44 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       193 1 32 LYS HA  1 32 LYS QG  3.400 . 5.000 2.864 2.134 3.432     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       194 1 32 LYS HA  1 32 LYS QE  3.900 . 6.000 4.570 2.325 5.513     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       195 1 32 LYS H   1 32 LYS QE  3.900 . 6.000 4.061 3.105 4.783     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       196 1  2 LYS HA  1  3 HIS H   2.900 . 4.000 2.945 2.130 3.570     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       197 1  2 LYS QB  1  3 HIS H   3.900 . 6.000 2.916 1.794 4.022 0.006  6 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       198 1  2 LYS HA  1  3 HIS QB  3.900 . 6.000 4.206 3.869 4.785     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       199 1  2 LYS QD  1  3 HIS H   3.900 . 6.000 3.355 1.797 5.438 0.003 19 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       200 1  3 HIS HA  1  4 THR H   2.900 . 4.000 3.069 2.619 3.563     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       201 1  3 HIS HE1 1  4 THR HA  3.900 . 6.000 5.681 4.905 6.032 0.032  8 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       202 1  3 HIS HE1 1  4 THR MG  2.900 . 4.000 2.936 2.796 3.658     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       203 1  3 HIS HA  1  4 THR MG  3.400 . 5.000 4.263 4.124 4.436     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       204 1  3 HIS QB  1  4 THR H   3.400 . 5.000 2.127 1.794 2.865 0.006 41 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       205 1  3 HIS HD2 1  4 THR MG  3.400 . 5.000 2.816 2.356 2.980     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       206 1  3 HIS HD2 1  4 THR H   3.900 . 6.000 3.216 2.856 3.879     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       207 1  3 HIS HE1 1  4 THR H   3.900 . 6.000 4.197 3.275 5.482     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       208 1  3 HIS QB  1  4 THR MG  3.900 . 6.000 3.217 3.055 3.444     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       209 1  3 HIS HD2 1  4 THR HA  3.900 . 6.000 5.939 5.389 6.065 0.065 47 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       210 1  3 HIS H   1  4 THR H   3.900 . 6.000 4.162 3.063 4.674     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       211 1  4 THR HA  1  5 ILE H   2.900 . 4.000 3.330 3.202 3.380     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       212 1  4 THR MG  1  5 ILE H   2.900 . 4.000 1.770 1.741 1.807 0.059 19 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       213 1  4 THR HA  1  5 ILE MD  3.900 . 6.000 6.004 5.865 6.093 0.093 27 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       214 1  4 THR HA  1  5 ILE HA  3.400 . 5.000 4.519 4.430 4.572     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       215 1  4 THR H   1  5 ILE H   3.900 . 6.000 3.591 3.405 3.911     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       216 1  4 THR HA  1  5 ILE MG  3.900 . 6.000 3.921 3.725 4.097     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       217 1  4 THR HA  1  5 ILE QG  3.900 . 6.000 4.406 4.257 4.506     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       218 1  5 ILE MD  1  6 TRP H   2.900 . 4.000 3.548 3.417 3.645     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       219 1  5 ILE MD  1  6 TRP HA  2.900 . 4.000 3.714 3.662 3.857     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       220 1  5 ILE HA  1  6 TRP H   3.400 . 5.000 3.459 3.441 3.499     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       221 1  5 ILE HB  1  6 TRP H   3.400 . 5.000 3.802 3.669 3.839     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       222 1  5 ILE H   1  6 TRP H   3.400 . 5.000 1.923 1.789 2.203 0.011 36 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       223 1  5 ILE MD  1  6 TRP HE3 3.400 . 5.000 2.315 2.255 2.433     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       224 1  5 ILE MD  1  6 TRP QB  3.400 . 5.000 4.652 4.548 4.733     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       225 1  5 ILE HA  1  6 TRP HA  3.400 . 5.000 4.957 4.945 4.980     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       226 1  5 ILE MD  1  6 TRP HZ2 3.900 . 6.000 5.707 5.607 5.841     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       227 1  5 ILE MG  1  6 TRP H   3.900 . 6.000 4.158 4.117 4.177     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       228 1  5 ILE MG  1  6 TRP HA  3.900 . 6.000 5.513 5.487 5.521     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       229 1  5 ILE HA  1  6 TRP HE3 3.900 . 6.000 5.050 5.030 5.083     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       230 1  5 ILE QG  1  6 TRP HA  3.900 . 6.000 3.790 3.750 3.813     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       231 1  5 ILE QG  1  6 TRP H   3.900 . 6.000 2.140 1.963 2.202     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       232 1  5 ILE MG  1  6 TRP HE3 3.900 . 6.000 4.796 4.736 4.846     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       233 1  5 ILE HB  1  6 TRP HA  3.900 . 6.000 4.458 4.384 4.472     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       234 1  5 ILE MD  1  6 TRP HH2 3.900 . 6.000 4.260 4.181 4.386     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       235 1  5 ILE MD  1  6 TRP HZ3 3.900 . 6.000 2.203 2.129 2.322     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       236 1  6 TRP H   1  7 GLU H   3.400 . 5.000 3.141 3.040 3.349     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       237 1  6 TRP QB  1  7 GLU H   3.400 . 5.000 2.293 2.083 2.407     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       238 1  6 TRP HA  1  7 GLU H   3.400 . 5.000 3.571 3.558 3.576     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       239 1  6 TRP HE3 1  7 GLU H   3.900 . 6.000 5.019 4.995 5.075     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       240 1  6 TRP H   1  7 GLU HA  3.900 . 6.000 5.622 5.560 5.746     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       241 1  6 TRP H   1  7 GLU QG  3.900 . 6.000 5.650 4.990 6.072 0.072  5 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       242 1  6 TRP HD1 1  7 GLU QG  3.900 . 6.000 5.449 4.771 6.020 0.020  5 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       243 1  7 GLU HA  1  8 VAL QG  3.400 . 5.000 4.343 4.221 4.454     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       244 1  7 GLU HA  1  8 VAL HA  3.400 . 5.000 4.588 4.546 4.609     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       245 1  7 GLU HA  1  8 VAL H   2.900 . 4.000 3.359 3.258 3.436     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       246 1  7 GLU H   1  8 VAL H   2.900 . 4.000 2.799 2.738 2.903     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       247 1  7 GLU H   1  8 VAL QG  3.400 . 5.000 3.640 3.422 4.131     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       248 1  7 GLU QB  1  8 VAL H   3.400 . 5.000 3.260 3.130 3.427     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       249 1  7 GLU QB  1  8 VAL QG  3.400 . 5.000 3.030 2.984 3.073     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       250 1  7 GLU QG  1  8 VAL QG  3.400 . 5.000 4.656 4.556 4.696     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       251 1  7 GLU H   1  8 VAL HA  3.900 . 6.000 5.352 5.300 5.436     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       252 1  7 GLU QG  1  8 VAL H   3.400 . 5.000 4.658 4.309 4.845     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       253 1  7 GLU QB  1  8 VAL HA  3.900 . 6.000 4.086 4.031 4.175     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       254 1  7 GLU QG  1  8 VAL HA  3.900 . 6.000 5.857 5.579 5.959     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       255 1  8 VAL HB  1  9 ILE H   2.900 . 4.000 2.736 2.680 2.889     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       256 1  8 VAL H   1  9 ILE H   3.400 . 5.000 2.137 1.961 2.233     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       257 1  8 VAL HB  1  9 ILE MD  3.900 . 6.000 5.355 5.284 5.462     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       258 1  8 VAL HB  1  9 ILE HB  3.900 . 6.000 4.123 4.085 4.294     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       259 1  8 VAL H   1  9 ILE MD  3.900 . 6.000 5.072 4.864 5.189     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       260 1  9 ILE MG  1 10 ALA H   2.900 . 4.000 1.896 1.870 1.973     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       261 1  9 ILE QG  1 10 ALA H   2.900 . 4.000 3.618 3.575 3.658     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       262 1  9 ILE HA  1 10 ALA MB  3.400 . 5.000 5.032 5.026 5.036 0.036 14 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       263 1  9 ILE MG  1 10 ALA MB  2.900 . 4.000 3.140 3.118 3.232     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       264 1  9 ILE MG  1 10 ALA HA  3.400 . 5.000 4.021 3.981 4.118     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       265 1  9 ILE HB  1 10 ALA H   2.900 . 4.000 4.050 4.037 4.079 0.079 27 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       266 1  9 ILE MD  1 10 ALA H   3.400 . 5.000 2.304 2.244 2.343     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       267 1  9 ILE MD  1 10 ALA MB  3.900 . 6.000 2.544 2.492 2.610     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       268 1  9 ILE MD  1 10 ALA HA  3.900 . 6.000 2.738 2.690 2.780     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       269 1 11 GLY QA  1 12 LEU H   2.900 . 4.000 2.875 2.870 2.880     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       270 1 12 LEU QD  1 13 VAL QG  2.300 . 2.800 2.702 2.550 2.789     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       271 1 12 LEU H   1 13 VAL H   2.900 . 4.000 2.065 2.051 2.080     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       272 1 12 LEU QB  1 13 VAL QG  2.900 . 4.000 2.612 2.549 2.724     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       273 1 12 LEU QB  1 13 VAL H   2.900 . 4.000 2.881 2.853 2.910     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       274 1 12 LEU HA  1 13 VAL QG  3.400 . 5.000 4.275 4.183 4.380     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       275 1 12 LEU QB  1 13 VAL HA  3.400 . 5.000 4.317 4.276 4.341     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       276 1 12 LEU H   1 13 VAL HA  3.400 . 5.000 4.825 4.812 4.838     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       277 1 12 LEU HG  1 13 VAL H   3.400 . 5.000 4.389 4.355 4.449     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       278 1 12 LEU H   1 13 VAL HB  3.400 . 5.000 4.413 4.335 4.498     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       279 1 12 LEU HA  1 13 VAL HA  3.400 . 5.000 4.569 4.557 4.578     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       280 1 12 LEU HG  1 13 VAL HA  3.400 . 5.000 4.433 4.401 4.528     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       281 1 12 LEU QB  1 13 VAL HB  3.900 . 6.000 4.390 4.348 4.434     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       282 1 13 VAL H   1 14 ALA H   2.900 . 4.000 2.259 2.239 2.291     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       283 1 13 VAL QG  1 14 ALA MB  2.900 . 4.000 3.920 3.873 3.961     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       284 1 13 VAL H   1 14 ALA MB  2.900 . 4.000 3.760 3.669 3.837     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       285 1 13 VAL HB  1 14 ALA H   2.900 . 4.000 2.307 2.220 2.394     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       286 1 13 VAL HA  1 14 ALA MB  3.400 . 5.000 5.017 4.999 5.028 0.028 50 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       287 1 13 VAL HB  1 14 ALA HA  3.400 . 5.000 4.194 4.134 4.267     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       288 1 13 VAL H   1 14 ALA HA  3.400 . 5.000 4.846 4.829 4.869     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       289 1 13 VAL HA  1 14 ALA HA  3.400 . 5.000 4.887 4.874 4.902     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       290 1 14 ALA MB  1 15 LEU H   2.900 . 4.000 2.435 2.250 2.538     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       291 1 14 ALA HA  1 15 LEU H   2.900 . 4.000 3.560 3.547 3.579     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       292 1 15 LEU HG  1 16 LEU HG  3.400 . 5.000 4.382 4.061 4.838     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       293 1 15 LEU HG  1 16 LEU H   2.900 . 4.000 4.026 4.002 4.079 0.079 40 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       294 1 15 LEU H   1 16 LEU HA  3.900 . 6.000 5.209 5.169 5.285     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       295 1 16 LEU HA  1 17 THR MG  3.900 . 6.000 5.975 5.914 6.034 0.034 40 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       296 1 16 LEU HA  1 17 THR HA  3.400 . 5.000 4.504 4.452 4.567     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       297 1 16 LEU HA  1 17 THR HB  3.900 . 6.000 5.456 5.287 5.570     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       298 1 16 LEU HA  1 17 THR H   2.900 . 4.000 3.233 3.100 3.363     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       299 1 16 LEU HG  1 17 THR HB  3.900 . 6.000 5.870 5.760 5.989     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       300 1 16 LEU QD  1 17 THR H   3.400 . 5.000 4.098 4.080 4.150     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       301 1 16 LEU QB  1 17 THR MG  3.900 . 6.000 5.255 5.113 5.333     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       302 1 16 LEU QB  1 17 THR H   3.400 . 5.000 3.465 3.218 3.647     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       303 1 16 LEU QD  1 17 THR HA  3.900 . 6.000 5.334 5.293 5.366     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       304 1 16 LEU QD  1 17 THR HB  3.900 . 6.000 5.470 5.404 5.534     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       305 1 16 LEU QB  1 17 THR HB  3.900 . 6.000 4.438 4.337 4.494     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       306 1 17 THR MG  1 18 PHE QB  2.900 . 4.000 3.530 3.291 4.021 0.021 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       307 1 17 THR HB  1 18 PHE H   2.900 . 4.000 2.360 2.005 3.190     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       308 1 17 THR H   1 18 PHE H   2.900 . 4.000 2.370 1.758 2.626 0.042 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       309 1 17 THR MG  1 18 PHE QD  2.900 . 4.000 3.800 3.544 3.998     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       310 1 17 THR HA  1 18 PHE H   2.900 . 4.000 3.565 3.461 3.573     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       311 1 17 THR MG  1 18 PHE HA  2.900 . 4.000 2.879 2.823 3.289     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       312 1 17 THR HA  1 18 PHE QB  3.900 . 6.000 5.205 5.153 5.222     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       313 1 17 THR HB  1 18 PHE QB  3.400 . 5.000 4.089 3.747 4.409     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       314 1 17 THR H   1 18 PHE QB  3.400 . 5.000 3.847 3.573 3.972     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       315 1 17 THR HA  1 18 PHE HA  3.400 . 5.000 4.870 4.730 4.917     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       316 1 17 THR H   1 18 PHE HA  3.900 . 6.000 4.835 4.503 4.978     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       317 1 17 THR MG  1 18 PHE QE  3.900 . 6.000 5.590 5.402 5.748     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       318 1 17 THR HB  1 18 PHE HA  3.900 . 6.000 4.558 4.326 4.742     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       319 1 17 THR H   1 18 PHE QD  3.900 . 6.000 5.776 5.362 5.909     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       320 1 18 PHE QB  1 19 LEU H   2.900 . 4.000 2.445 2.305 2.594     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       321 1 18 PHE QE  1 19 LEU QD  2.900 . 4.000 3.972 3.856 4.124 0.124 40 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       322 1 18 PHE QB  1 19 LEU QD  2.900 . 4.000 2.098 2.039 2.244     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       323 1 18 PHE H   1 19 LEU QD  2.900 . 4.000 3.816 3.649 4.076 0.076 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       324 1 18 PHE HA  1 19 LEU QD  3.400 . 5.000 4.003 3.926 4.106     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       325 1 18 PHE QD  1 19 LEU QB  3.400 . 5.000 4.981 4.908 5.024 0.024 27 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       326 1 18 PHE HA  1 19 LEU HA  3.400 . 5.000 4.728 4.686 4.753     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       327 1 18 PHE QB  1 19 LEU QB  3.400 . 5.000 4.091 3.992 4.259     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       328 1 18 PHE HZ  1 19 LEU QD  3.900 . 6.000 5.621 5.468 5.841     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       329 1 18 PHE H   1 19 LEU QB  3.400 . 5.000 4.835 4.758 4.890     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       330 1 18 PHE HA  1 19 LEU QB  3.900 . 6.000 5.417 5.396 5.634     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       331 1 19 LEU HA  1 20 ALA MB  3.400 . 5.000 4.980 4.903 5.020 0.020 34 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       332 1 19 LEU HA  1 20 ALA HA  3.400 . 5.000 4.811 4.613 4.955     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       333 1 19 LEU QB  1 20 ALA MB  3.400 . 5.000 3.869 3.772 3.986     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       334 1 20 ALA MB  1 21 PHE H   2.900 . 4.000 2.413 2.220 2.535     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       335 1 20 ALA MB  1 21 PHE QB  2.900 . 4.000 3.964 3.883 4.024 0.024 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       336 1 20 ALA MB  1 21 PHE QE  3.400 . 5.000 3.042 2.791 3.546     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       337 1 20 ALA HA  1 21 PHE QE  3.900 . 6.000 5.921 5.581 6.034 0.034 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       338 1 20 ALA MB  1 21 PHE HA  3.400 . 5.000 3.744 3.668 3.868     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       339 1 20 ALA HA  1 21 PHE H   3.400 . 5.000 3.568 3.547 3.580     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       340 1 20 ALA H   1 21 PHE HA  3.900 . 6.000 5.359 4.947 5.593     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       341 1 21 PHE QB  1 22 GLY H   2.900 . 4.000 2.621 2.407 2.780     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       342 1 21 PHE H   1 22 GLY H   2.900 . 4.000 2.405 2.248 2.571     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       343 1 21 PHE QB  1 22 GLY QA  3.400 . 5.000 3.639 3.581 3.692     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       344 1 21 PHE HA  1 22 GLY H   3.400 . 5.000 3.533 3.499 3.559     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       345 1 21 PHE QD  1 22 GLY H   3.400 . 5.000 4.044 3.895 4.148     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       346 1 21 PHE H   1 22 GLY QA  3.400 . 5.000 4.306 4.163 4.405     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       347 1 21 PHE QD  1 22 GLY QA  3.900 . 6.000 5.311 5.222 5.336     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       348 1 22 GLY QA  1 23 PHE H   2.900 . 4.000 2.642 2.545 2.694     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       349 1 22 GLY H   1 23 PHE H   2.900 . 4.000 2.817 2.704 3.050     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       350 1 22 GLY QA  1 23 PHE QB  3.400 . 5.000 4.313 4.239 4.361     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       351 1 22 GLY H   1 23 PHE QB  3.400 . 5.000 4.435 4.289 4.579     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       352 1 23 PHE QB  1 24 TRP H   2.900 . 4.000 2.972 2.072 3.283     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       353 1 23 PHE H   1 24 TRP H   2.900 . 4.000 2.795 2.659 3.243     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       354 1 23 PHE HA  1 24 TRP H   3.400 . 5.000 3.439 3.343 3.568     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       355 1 23 PHE H   1 24 TRP HA  3.900 . 6.000 5.386 5.278 5.681     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       356 1 23 PHE H   1 24 TRP QB  3.400 . 5.000 4.561 4.413 4.856     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       357 1 24 TRP HZ3 1 25 LEU QD  2.900 . 4.000 3.025 2.775 3.132     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       358 1 24 TRP HE3 1 25 LEU QB  3.400 . 5.000 4.050 3.907 4.195     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       359 1 24 TRP HH2 1 25 LEU QD  2.900 . 4.000 4.006 3.827 4.040 0.040 14 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       360 1 24 TRP H   1 25 LEU H   3.400 . 5.000 2.681 2.433 3.064     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       361 1 24 TRP QB  1 25 LEU H   3.400 . 5.000 2.033 1.910 2.244     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       362 1 24 TRP HA  1 25 LEU H   3.400 . 5.000 3.545 3.529 3.562     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       363 1 24 TRP HD1 1 25 LEU H   3.400 . 5.000 4.733 4.626 4.926     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       364 1 24 TRP HA  1 25 LEU HG  3.900 . 6.000 6.014 5.877 6.050 0.050 23 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       365 1 24 TRP HZ3 1 25 LEU HA  3.400 . 5.000 4.199 3.851 4.609     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       366 1 24 TRP HZ3 1 25 LEU QB  3.900 . 6.000 5.092 4.817 5.254     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       367 1 24 TRP HZ3 1 25 LEU H   3.900 . 6.000 4.649 4.436 4.912     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       368 1 24 TRP HZ3 1 25 LEU HG  3.900 . 6.000 3.037 2.717 3.195     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       369 1 24 TRP HE1 1 25 LEU QD  3.900 . 6.000 6.005 5.921 6.052 0.052 31 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       370 1 25 LEU QD  1 26 PHE H   3.400 . 5.000 3.881 3.709 4.019     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       371 1 25 LEU QB  1 26 PHE H   2.900 . 4.000 2.391 2.190 2.533     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       372 1 25 LEU QD  1 26 PHE QE  2.900 . 4.000 3.735 3.674 3.825     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       373 1 25 LEU QB  1 26 PHE QB  3.400 . 5.000 4.270 4.141 4.372     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       374 1 25 LEU H   1 26 PHE H   3.400 . 5.000 3.354 3.195 3.480     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       375 1 25 LEU HA  1 26 PHE H   3.400 . 5.000 3.577 3.565 3.586     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       376 1 25 LEU QD  1 26 PHE QB  3.900 . 6.000 5.183 5.066 5.296     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       377 1 25 LEU HG  1 26 PHE H   3.400 . 5.000 4.669 4.564 4.746     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       378 1 25 LEU HA  1 26 PHE QD  3.900 . 6.000 5.254 5.157 5.394     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       379 1 25 LEU HG  1 26 PHE QD  3.900 . 6.000 6.059 6.028 6.092 0.092 45 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       380 1 25 LEU HG  1 26 PHE QE  3.900 . 6.000 5.995 5.931 6.044 0.044 30 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       381 1 25 LEU H   1 26 PHE QB  3.900 . 6.000 5.543 5.417 5.614     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       382 1 25 LEU QB  1 26 PHE QE  3.900 . 6.000 3.397 3.319 3.520     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       383 1 25 LEU H   1 26 PHE QD  3.900 . 6.000 5.304 5.126 5.408     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       384 1 25 LEU H   1 26 PHE QE  3.900 . 6.000 5.781 5.567 5.983     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       385 1 26 PHE QD  1 27 LYS QG  3.400 . 5.000 4.006 3.648 5.119 0.119 18 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       386 1 26 PHE QD  1 27 LYS H   2.900 . 4.000 3.621 3.489 4.256 0.256 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       387 1 26 PHE QD  1 27 LYS HA  3.900 . 6.000 5.639 5.524 5.868     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       388 1 26 PHE H   1 27 LYS H   3.400 . 5.000 2.790 2.537 3.002     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       389 1 26 PHE QB  1 27 LYS H   3.400 . 5.000 2.081 1.829 3.025     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       390 1 26 PHE QD  1 27 LYS QD  3.400 . 5.000 4.120 2.844 5.005 0.005  5 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       391 1 26 PHE QB  1 27 LYS QD  3.900 . 6.000 2.968 2.077 4.585     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       392 1 26 PHE QB  1 27 LYS QG  3.900 . 6.000 3.042 2.682 4.108     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       393 1 26 PHE H   1 27 LYS QG  3.900 . 6.000 4.271 3.645 5.762     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       394 1 26 PHE QB  1 27 LYS HA  3.900 . 6.000 3.726 3.622 4.080     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       395 1 26 PHE QD  1 27 LYS QB  3.900 . 6.000 5.358 4.948 5.665     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       396 1 26 PHE QD  1 27 LYS QE  3.900 . 6.000 4.821 3.246 6.026 0.026 35 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       397 1 26 PHE QB  1 27 LYS QB  3.900 . 6.000 4.196 3.927 4.458     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       398 1 27 LYS HA  1 28 TYR H   2.900 . 4.000 3.273 2.911 3.418     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       399 1 27 LYS H   1 28 TYR H   3.400 . 5.000 2.931 2.783 3.218     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       400 1 27 LYS QB  1 28 TYR HA  3.400 . 5.000 4.266 4.083 4.538     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       401 1 27 LYS QB  1 28 TYR H   3.400 . 5.000 3.412 3.129 3.843     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       402 1 27 LYS QG  1 28 TYR H   3.400 . 5.000 4.296 3.513 4.971     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       403 1 27 LYS QB  1 28 TYR QB  3.400 . 5.000 3.861 3.765 3.990     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       404 1 27 LYS QG  1 28 TYR HA  3.900 . 6.000 5.894 5.376 6.060 0.060 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       405 1 27 LYS H   1 28 TYR HA  3.900 . 6.000 5.445 5.068 5.513     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       406 1 27 LYS H   1 28 TYR QB  3.900 . 6.000 4.497 3.732 4.649     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       407 1 27 LYS QZ  1 28 TYR H   3.900 . 6.000 5.868 4.411 6.192 0.192 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       408 1 28 TYR QD  1 29 LEU H   2.900 . 4.000 2.840 2.530 3.268     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       409 1 28 TYR H   1 29 LEU H   2.900 . 4.000 2.073 1.817 2.211     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       410 1 28 TYR HA  1 29 LEU H   3.400 . 5.000 3.560 3.521 3.579     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       411 1 28 TYR QB  1 29 LEU H   3.400 . 5.000 2.859 2.731 3.036     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       412 1 28 TYR QE  1 29 LEU H   3.400 . 5.000 4.309 4.091 4.749     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       413 1 28 TYR QD  1 29 LEU HG  3.400 . 5.000 4.575 3.744 5.194 0.194 50 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       414 1 28 TYR QE  1 29 LEU QB  3.400 . 5.000 2.937 2.554 3.375     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       415 1 28 TYR QE  1 29 LEU HG  3.900 . 6.000 3.739 2.605 5.480     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       416 1 29 LEU H   1 30 GLN H   2.900 . 4.000 2.316 2.102 2.447     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       417 1 29 LEU QD  1 30 GLN H   2.900 . 4.000 3.679 3.139 4.016 0.016 44 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       418 1 29 LEU HA  1 30 GLN H   2.900 . 4.000 3.533 3.455 3.554     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       419 1 29 LEU QB  1 30 GLN H   2.900 . 4.000 2.650 2.432 3.397     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       420 1 29 LEU HG  1 30 GLN H   3.400 . 5.000 4.737 2.288 5.047 0.047 41 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       421 1 29 LEU H   1 30 GLN QG  3.900 . 6.000 5.901 5.705 6.011 0.011 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       422 1 30 GLN HA  1 31 LYS H   2.900 . 4.000 3.369 3.030 3.520     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       423 1 30 GLN H   1 31 LYS H   2.900 . 4.000 2.483 2.260 2.811     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       424 1 30 GLN QE  1 31 LYS QZ  2.900 . 4.000 3.183 2.443 4.029 0.029 32 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       425 1 30 GLN QB  1 31 LYS H   2.900 . 4.000 3.195 2.628 3.747     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       426 1 30 GLN H   1 31 LYS HA  3.900 . 6.000 5.118 4.921 5.401     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       427 1 30 GLN QB  1 31 LYS HA  3.900 . 6.000 4.527 4.044 4.756     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       428 1 30 GLN H   1 31 LYS QD  3.900 . 6.000 3.665 3.380 4.077     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       429 1 30 GLN H   1 31 LYS QG  3.900 . 6.000 5.542 4.924 5.897     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       430 1 30 GLN QG  1 31 LYS HA  3.900 . 6.000 3.870 3.569 4.221     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       431 1 31 LYS HA  1 32 LYS H   2.900 . 4.000 2.999 2.271 3.562     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       432 1 31 LYS H   1 32 LYS H   2.900 . 4.000 2.733 1.956 3.835     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       433 1 31 LYS QB  1 32 LYS H   3.400 . 5.000 3.403 2.480 3.935     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       434 1 31 LYS H   1 32 LYS HA  3.400 . 5.000 4.749 4.295 5.074 0.074 35 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       435 1 31 LYS QG  1 32 LYS H   3.400 . 5.000 4.633 4.333 4.934     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       436 1  2 LYS QE  1  4 THR MG  3.900 . 6.000 5.915 5.198 6.060 0.060 29 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       437 1  3 HIS HE1 1  5 ILE H   3.900 . 6.000 5.857 3.610 6.135 0.135 27 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       438 1  4 THR HA  1  6 TRP H   3.400 . 5.000 4.899 4.815 5.016 0.016 36 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       439 1  4 THR MG  1  6 TRP HE1 3.900 . 6.000 5.973 5.874 6.035 0.035 45 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       440 1  4 THR MG  1  6 TRP HA  3.900 . 6.000 4.023 3.855 4.188     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       441 1  4 THR MG  1  6 TRP QB  3.900 . 6.000 2.303 2.186 2.388     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       442 1  4 THR HA  1  6 TRP QB  3.900 . 6.000 5.786 5.647 5.964     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       443 1  5 ILE MD  1  7 GLU H   3.900 . 6.000 5.883 5.802 5.996     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       444 1  5 ILE HB  1  7 GLU H   3.900 . 6.000 5.848 5.718 6.085 0.085 37 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       445 1  5 ILE H   1  7 GLU H   3.900 . 6.000 4.451 4.318 4.796     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       446 1  6 TRP H   1  8 VAL H   3.400 . 5.000 3.897 3.873 3.925     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       447 1  6 TRP HA  1  8 VAL H   3.900 . 6.000 3.571 3.454 3.673     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       448 1  6 TRP H   1  8 VAL HB  3.900 . 6.000 5.195 5.083 5.219     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       449 1  6 TRP QB  1  8 VAL H   3.900 . 6.000 4.043 3.968 4.109     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       450 1  7 GLU H   1  9 ILE H   3.900 . 6.000 4.415 4.359 4.472     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       451 1  8 VAL HB  1 10 ALA MB  3.900 . 6.000 5.960 5.944 5.977     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       452 1  8 VAL HB  1 10 ALA H   3.400 . 5.000 4.758 4.729 4.832     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       453 1  8 VAL H   1 10 ALA H   3.900 . 6.000 3.449 3.201 3.570     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       454 1 11 GLY QA  1 13 VAL H   3.400 . 5.000 4.013 3.998 4.036     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       455 1 11 GLY H   1 13 VAL H   3.400 . 5.000 4.066 4.052 4.084     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       456 1 12 LEU H   1 14 ALA H   2.900 . 4.000 3.798 3.748 3.859     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       457 1 13 VAL HA  1 15 LEU H   3.400 . 5.000 4.327 4.190 4.537     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       458 1 13 VAL HA  1 15 LEU QD  3.900 . 6.000 5.897 5.640 6.005 0.005 20 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       459 1 13 VAL H   1 15 LEU H   3.400 . 5.000 3.541 3.378 3.788     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       460 1 13 VAL H   1 15 LEU QB  3.400 . 5.000 4.567 4.384 4.840     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       461 1 13 VAL HB  1 15 LEU H   3.900 . 6.000 4.932 4.796 5.139     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       462 1 15 LEU H   1 17 THR H   3.400 . 5.000 3.778 3.674 3.980     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       463 1 15 LEU QD  1 17 THR H   3.400 . 5.000 4.783 4.656 4.975     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       464 1 15 LEU HA  1 17 THR H   3.900 . 6.000 3.724 3.618 3.857     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       465 1 15 LEU HG  1 17 THR H   3.900 . 6.000 5.244 5.061 5.494     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       466 1 15 LEU H   1 17 THR HB  3.900 . 6.000 4.870 4.723 5.113     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       467 1 19 LEU QD  1 21 PHE H   3.400 . 5.000 5.021 4.966 5.059 0.059 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       468 1 19 LEU HA  1 21 PHE H   3.400 . 5.000 4.675 4.195 4.851     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       469 1 19 LEU QB  1 21 PHE H   3.900 . 6.000 4.898 4.617 5.151     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       470 1 20 ALA H   1 22 GLY H   3.400 . 5.000 3.901 3.342 4.354     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       471 1 20 ALA HA  1 22 GLY H   3.900 . 6.000 4.771 4.574 5.005     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       472 1 21 PHE H   1 23 PHE H   3.400 . 5.000 4.183 3.965 4.367     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       473 1 21 PHE H   1 23 PHE QB  3.400 . 5.000 4.914 4.627 5.012 0.012 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       474 1 21 PHE HA  1 23 PHE H   3.900 . 6.000 4.481 4.177 4.848     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       475 1 22 GLY H   1 24 TRP H   3.400 . 5.000 4.081 3.714 4.889     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       476 1 22 GLY QA  1 24 TRP HE3 3.900 . 6.000 5.559 5.444 5.682     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       477 1 23 PHE H   1 25 LEU H   3.400 . 5.000 4.948 4.736 5.061 0.061 33 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       478 1 23 PHE HA  1 25 LEU H   3.900 . 6.000 5.637 5.294 5.781     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       479 1 23 PHE H   1 25 LEU QB  3.900 . 6.000 5.071 4.595 5.258     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       480 1 24 TRP H   1 26 PHE H   3.400 . 5.000 4.103 3.664 4.939     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       481 1 24 TRP H   1 26 PHE QB  3.900 . 6.000 5.439 5.090 6.049 0.049 18 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       482 1 24 TRP HE3 1 26 PHE H   3.900 . 6.000 5.808 5.648 5.937     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       483 1 25 LEU H   1 27 LYS H   3.900 . 6.000 4.946 4.036 5.374     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       484 1 26 PHE H   1 28 TYR H   3.400 . 5.000 3.888 3.706 4.445     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       485 1 26 PHE QD  1 28 TYR H   3.900 . 6.000 5.272 5.223 5.617     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       486 1 26 PHE QB  1 28 TYR H   3.900 . 6.000 4.084 3.997 4.669     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       487 1 27 LYS HA  1 29 LEU H   3.900 . 6.000 5.036 4.763 5.236     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       488 1 27 LYS H   1 29 LEU H   3.900 . 6.000 4.560 4.212 4.824     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       489 1 28 TYR HA  1 30 GLN H   3.400 . 5.000 4.908 4.476 5.050 0.050 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       490 1 28 TYR QD  1 30 GLN H   3.400 . 5.000 4.888 4.612 5.116 0.116 40 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       491 1 28 TYR H   1 30 GLN H   3.900 . 6.000 3.107 2.531 3.579     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       492 1 28 TYR QB  1 30 GLN QB  3.900 . 6.000 5.881 5.656 5.984     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       493 1 28 TYR QB  1 30 GLN H   3.900 . 6.000 4.801 4.579 4.965     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       494 1 29 LEU HA  1 31 LYS H   2.900 . 4.000 3.852 3.455 4.039 0.039 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       495 1 29 LEU HA  1 31 LYS QD  3.900 . 6.000 6.045 5.902 6.166 0.166 44 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       496 1 29 LEU H   1 31 LYS QB  3.400 . 5.000 4.638 4.260 5.058 0.058 48 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       497 1 29 LEU H   1 31 LYS H   3.900 . 6.000 3.552 3.427 4.041     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       498 1 30 GLN HA  1 32 LYS H   3.400 . 5.000 4.343 3.485 5.038 0.038 48 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       499 1 30 GLN H   1 32 LYS H   3.900 . 6.000 4.668 4.009 5.888     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       500 1 30 GLN QB  1 32 LYS H   3.900 . 6.000 5.144 4.561 5.940     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       501 1 30 GLN QB  1 32 LYS QE  3.900 . 6.000 5.925 4.879 6.152 0.152 33 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       502 1  3 HIS HD2 1  6 TRP HE3 3.900 . 6.000 5.925 5.548 6.043 0.043 36 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       503 1  4 THR MG  1  7 GLU QB  3.400 . 5.000 4.296 4.107 4.617     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       504 1  4 THR MG  1  7 GLU H   3.400 . 5.000 3.334 3.156 3.505     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       505 1  4 THR H   1  7 GLU QB  3.400 . 5.000 4.161 3.250 5.121 0.121 37 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       506 1  4 THR H   1  7 GLU QG  3.400 . 5.000 4.983 4.251 5.042 0.042 24 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       507 1  4 THR MG  1  7 GLU QG  3.900 . 6.000 4.921 4.223 5.306     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       508 1  4 THR H   1  7 GLU H   3.900 . 6.000 4.035 3.252 4.943     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       509 1  5 ILE HA  1  8 VAL HB  2.900 . 4.000 2.883 2.693 2.921     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       510 1  5 ILE HB  1  8 VAL QG  2.900 . 4.000 3.696 3.623 3.843     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       511 1  5 ILE HA  1  8 VAL H   2.900 . 4.000 3.419 3.341 3.549     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       512 1  5 ILE MG  1  8 VAL HB  2.900 . 4.000 3.622 3.562 3.734     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       513 1  5 ILE MD  1  8 VAL HB  3.400 . 5.000 4.796 4.731 5.015 0.015 25 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       514 1  5 ILE HB  1  8 VAL HB  3.900 . 6.000 3.334 3.238 3.570     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       515 1  5 ILE MG  1  8 VAL H   3.900 . 6.000 4.935 4.879 5.025     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       516 1  5 ILE QG  1  8 VAL HB  3.900 . 6.000 5.050 4.987 5.149     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       517 1  5 ILE MD  1  8 VAL H   3.900 . 6.000 5.215 5.177 5.326     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       518 1  5 ILE QG  1  8 VAL H   3.900 . 6.000 4.976 4.959 4.996     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       519 1  5 ILE H   1  8 VAL HB  3.900 . 6.000 5.509 5.331 5.552     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       520 1  6 TRP HA  1  9 ILE MD  2.900 . 4.000 3.071 2.917 3.132     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       521 1  6 TRP HE3 1  9 ILE MG  2.900 . 4.000 2.985 2.965 2.998     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       522 1  6 TRP HE3 1  9 ILE MD  2.900 . 4.000 3.483 3.314 3.531     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       523 1  6 TRP HA  1  9 ILE MG  2.900 . 4.000 2.337 2.305 2.379     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       524 1  6 TRP HE3 1  9 ILE HB  3.900 . 6.000 6.017 5.989 6.032 0.032 36 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       525 1  6 TRP HZ3 1  9 ILE MG  3.400 . 5.000 3.636 3.602 3.706     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       526 1  6 TRP HA  1  9 ILE HB  3.900 . 6.000 5.346 5.309 5.393     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       527 1  6 TRP HZ3 1  9 ILE MD  3.400 . 5.000 3.289 3.135 3.367     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       528 1  6 TRP HA  1  9 ILE H   3.400 . 5.000 3.149 3.114 3.173     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       529 1  6 TRP HA  1  9 ILE HA  3.900 . 6.000 5.462 5.418 5.519     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       530 1  6 TRP HD1 1  9 ILE MD  3.900 . 6.000 5.696 5.629 5.855     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       531 1  6 TRP H   1  9 ILE MD  3.400 . 5.000 4.987 4.774 5.011 0.011 10 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       532 1  6 TRP HE3 1  9 ILE H   3.400 . 5.000 4.754 4.729 4.777     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       533 1  6 TRP HE3 1  9 ILE QG  3.900 . 6.000 5.524 5.401 5.559     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       534 1  6 TRP HD1 1  9 ILE MG  3.900 . 6.000 5.951 5.916 6.015 0.015 45 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       535 1  6 TRP QB  1  9 ILE MG  3.900 . 6.000 4.222 4.193 4.243     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       536 1  6 TRP H   1  9 ILE H   3.900 . 6.000 4.527 4.453 4.560     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       537 1  6 TRP H   1  9 ILE MG  3.900 . 6.000 3.699 3.604 3.730     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       538 1  6 TRP QB  1  9 ILE MD  3.900 . 6.000 4.801 4.693 4.869     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       539 1  6 TRP HH2 1  9 ILE MD  3.900 . 6.000 4.048 3.961 4.214     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       540 1  6 TRP HZ2 1  9 ILE MD  3.900 . 6.000 4.727 4.641 4.942     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       541 1  6 TRP QB  1  9 ILE H   3.900 . 6.000 4.687 4.608 4.736     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       542 1  6 TRP HE1 1  9 ILE MD  3.900 . 6.000 5.403 5.315 5.611     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       543 1  6 TRP HA  1  9 ILE QG  3.900 . 6.000 4.976 4.878 5.031     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       544 1  7 GLU QB  1 10 ALA MB  3.400 . 5.000 5.090 5.072 5.119 0.119 47 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       545 1  7 GLU H   1 10 ALA MB  3.900 . 6.000 3.870 3.700 3.973     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       546 1  7 GLU QG  1 10 ALA MB  3.900 . 6.000 4.780 4.296 5.210     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       547 1  7 GLU H   1 10 ALA H   3.900 . 6.000 4.576 4.521 4.598     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       548 1  9 ILE QG  1 12 LEU QB  3.400 . 5.000 4.186 4.086 4.280     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       549 1  9 ILE MD  1 12 LEU QB  3.400 . 5.000 4.914 4.845 4.970     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       550 1 10 ALA HA  1 13 VAL QG  2.900 . 4.000 3.617 3.548 3.682     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       551 1 10 ALA HA  1 13 VAL HB  2.900 . 4.000 2.768 2.668 2.884     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       552 1 10 ALA MB  1 13 VAL H   2.900 . 4.000 4.048 4.040 4.055 0.055 42 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       553 1 10 ALA HA  1 13 VAL H   2.900 . 4.000 2.832 2.821 2.841     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       554 1 10 ALA MB  1 13 VAL HB  3.400 . 5.000 4.379 4.300 4.472     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       555 1 10 ALA HA  1 13 VAL HA  3.400 . 5.000 5.043 5.032 5.056 0.056 44 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       556 1 11 GLY H   1 14 ALA H   3.400 . 5.000 4.564 4.547 4.595     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       557 1 11 GLY QA  1 14 ALA H   3.400 . 5.000 4.428 4.287 4.570     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       558 1 12 LEU HA  1 15 LEU H   3.400 . 5.000 4.839 4.754 4.898     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       559 1 12 LEU HA  1 15 LEU QB  2.900 . 4.000 4.020 3.996 4.040 0.040 42 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       560 1 13 VAL HA  1 16 LEU QD  2.900 . 4.000 2.962 2.739 3.056     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       561 1 13 VAL HA  1 16 LEU QB  2.900 . 4.000 2.404 2.377 2.443     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       562 1 13 VAL QG  1 16 LEU QB  2.900 . 4.000 3.118 3.057 3.222     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       563 1 13 VAL H   1 16 LEU QD  3.400 . 5.000 4.454 4.416 4.561     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       564 1 13 VAL HA  1 16 LEU HA  3.400 . 5.000 5.045 5.031 5.059 0.059 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       565 1 13 VAL HB  1 16 LEU QD  3.900 . 6.000 5.296 5.139 5.390     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       566 1 13 VAL H   1 16 LEU QB  3.400 . 5.000 4.937 4.872 5.005 0.005 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       567 1 13 VAL HB  1 16 LEU QB  3.900 . 6.000 5.128 5.090 5.159     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       568 1 14 ALA HA  1 17 THR HB  2.900 . 4.000 2.361 2.310 2.539     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       569 1 14 ALA MB  1 17 THR H   3.400 . 5.000 4.295 4.241 4.404     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       570 1 14 ALA HA  1 17 THR H   3.400 . 5.000 3.307 3.246 3.484     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       571 1 14 ALA HA  1 17 THR HA  3.400 . 5.000 5.064 5.028 5.092 0.092 40 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       572 1 15 LEU HA  1 18 PHE QB  2.900 . 4.000 3.515 3.245 4.034 0.034 48 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       573 1 15 LEU QD  1 18 PHE QD  3.400 . 5.000 4.958 4.687 5.037 0.037 25 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       574 1 15 LEU QD  1 18 PHE QB  2.900 . 4.000 4.021 3.859 4.050 0.050 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       575 1 15 LEU HA  1 18 PHE H   3.400 . 5.000 4.331 3.662 4.886     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       576 1 15 LEU H   1 18 PHE QB  3.400 . 5.000 4.536 4.379 4.598     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       577 1 15 LEU QB  1 18 PHE QB  3.900 . 6.000 5.083 4.895 5.537     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       578 1 16 LEU QB  1 19 LEU QD  3.900 . 6.000 5.835 5.018 6.099 0.099 21 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       579 1 16 LEU QD  1 19 LEU QB  3.400 . 5.000 4.510 4.326 4.950     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       580 1 17 THR HA  1 20 ALA MB  2.300 . 2.800 2.323 2.115 2.510     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       581 1 17 THR HA  1 20 ALA HA  3.900 . 6.000 5.128 4.792 5.484     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       582 1 17 THR H   1 20 ALA MB  3.400 . 5.000 3.980 3.276 4.282     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       583 1 17 THR HB  1 20 ALA MB  3.400 . 5.000 4.826 4.509 5.007 0.007 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       584 1 18 PHE HA  1 21 PHE H   3.400 . 5.000 4.021 3.665 4.409     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       585 1 18 PHE H   1 21 PHE H   3.900 . 6.000 4.822 4.653 5.081     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       586 1 18 PHE H   1 21 PHE QD  3.900 . 6.000 4.868 4.620 5.096     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       587 1 19 LEU HA  1 22 GLY QA  3.900 . 6.000 3.370 2.833 4.019     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       588 1 19 LEU HA  1 22 GLY H   3.400 . 5.000 3.614 3.174 4.077     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       589 1 20 ALA HA  1 23 PHE QB  2.900 . 4.000 3.378 2.943 3.789     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       590 1 20 ALA MB  1 23 PHE QB  3.400 . 5.000 4.618 4.272 4.881     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       591 1 20 ALA HA  1 23 PHE H   3.400 . 5.000 4.214 3.965 4.390     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       592 1 20 ALA MB  1 23 PHE H   3.400 . 5.000 4.976 4.825 5.053 0.053 18 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       593 1 20 ALA H   1 23 PHE H   3.400 . 5.000 4.582 4.239 4.751     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       594 1 20 ALA HA  1 23 PHE QD  3.400 . 5.000 4.035 3.891 4.521     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       595 1 20 ALA HA  1 23 PHE QE  3.900 . 6.000 6.033 6.007 6.080 0.080 29 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       596 1 21 PHE QB  1 24 TRP H   3.900 . 6.000 4.678 4.353 5.343     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       597 1 21 PHE HA  1 24 TRP QB  3.400 . 5.000 2.948 2.629 3.276     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       598 1 21 PHE HA  1 24 TRP H   3.400 . 5.000 3.640 3.414 3.899     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       599 1 22 GLY QA  1 25 LEU HA  3.900 . 6.000 5.141 5.020 5.304     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       600 1 22 GLY QA  1 25 LEU H   3.400 . 5.000 3.753 3.517 3.982     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       601 1 22 GLY H   1 25 LEU QD  3.400 . 5.000 3.883 3.169 4.297     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       602 1 22 GLY H   1 25 LEU QB  3.400 . 5.000 4.416 4.231 4.561     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       603 1 22 GLY QA  1 25 LEU HG  3.400 . 5.000 4.577 4.219 4.826     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       604 1 22 GLY H   1 25 LEU HG  3.900 . 6.000 5.818 5.288 6.022 0.022 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       605 1 23 PHE HA  1 26 PHE QB  3.400 . 5.000 4.547 4.224 4.690     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       606 1 23 PHE HA  1 26 PHE QD  3.400 . 5.000 3.774 3.078 4.087     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       607 1 23 PHE HA  1 26 PHE H   3.400 . 5.000 4.935 4.548 5.083 0.083 35 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       608 1 23 PHE H   1 26 PHE QB  3.900 . 6.000 5.971 5.810 6.054 0.054 44 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       609 1 23 PHE H   1 26 PHE H   3.900 . 6.000 5.375 5.159 5.479     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       610 1 23 PHE H   1 26 PHE QD  3.900 . 6.000 4.616 4.372 4.745     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       611 1 24 TRP H   1 27 LYS QG  3.900 . 6.000 4.656 3.856 6.048 0.048 47 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       612 1 24 TRP H   1 27 LYS H   3.900 . 6.000 4.675 4.185 5.198     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       613 1 25 LEU QD  1 28 TYR QB  3.400 . 5.000 4.840 4.702 4.984     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       614 1 25 LEU HA  1 28 TYR QD  2.900 . 4.000 2.334 2.288 2.404     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       615 1 25 LEU HA  1 28 TYR QB  2.900 . 4.000 3.617 3.474 3.740     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       616 1 25 LEU HA  1 28 TYR QE  3.400 . 5.000 3.818 3.589 3.953     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       617 1 25 LEU QB  1 28 TYR QD  3.900 . 6.000 4.443 4.360 4.530     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       618 1 25 LEU QB  1 28 TYR QE  3.900 . 6.000 5.483 5.197 5.614     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       619 1 25 LEU H   1 28 TYR H   3.900 . 6.000 5.109 4.690 5.800     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       620 1 26 PHE QD  1 29 LEU QB  3.400 . 5.000 4.383 4.097 5.153 0.153 43 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       621 1 26 PHE QB  1 29 LEU QB  3.900 . 6.000 5.111 4.908 5.862     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       622 1 26 PHE QD  1 29 LEU H   3.900 . 6.000 5.249 5.023 5.861     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       623 1 26 PHE H   1 29 LEU H   3.900 . 6.000 4.422 4.198 4.915     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       624 1 27 LYS HA  1 30 GLN QB  3.400 . 5.000 4.100 3.236 4.436     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       625 1 27 LYS QZ  1 30 GLN QG  3.900 . 6.000 5.372 4.549 6.046 0.046 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       626 1 27 LYS HA  1 30 GLN QG  3.400 . 5.000 5.025 4.821 5.060 0.060 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       627 1 27 LYS HA  1 30 GLN H   3.400 . 5.000 4.726 4.437 5.013 0.013 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       628 1 27 LYS HA  1 30 GLN QE  3.900 . 6.000 5.769 5.439 6.019 0.019 23 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       629 1 27 LYS H   1 30 GLN H   3.900 . 6.000 4.624 4.428 4.931     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       630 1 28 TYR QB  1 31 LYS QB  3.900 . 6.000 4.830 4.416 5.554     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       631 1 29 LEU HA  1 32 LYS QG  2.900 . 4.000 2.824 2.109 4.148 0.148 24 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       632 1 29 LEU H   1 32 LYS QB  3.900 . 6.000 5.649 5.025 6.188 0.188 34 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       633 1 29 LEU QD  1 32 LYS H   3.900 . 6.000 4.891 3.552 6.067 0.067 34 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       634 1  3 HIS QB  1  7 GLU QB  3.900 . 6.000 2.738 2.283 3.701     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       635 1  3 HIS HA  1  7 GLU QG  3.900 . 6.000 5.669 4.489 6.024 0.024 37 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       636 1  4 THR MG  1  8 VAL QG  3.400 . 5.000 4.453 4.232 4.715     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       637 1  4 THR MG  1  8 VAL HB  3.900 . 6.000 5.938 5.799 6.014 0.014 33 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       638 1  5 ILE MG  1  9 ILE MD  3.900 . 6.000 5.339 5.130 5.384     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       639 1  5 ILE MD  1  9 ILE MG  2.900 . 4.000 2.163 2.147 2.239     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       640 1  5 ILE HA  1  9 ILE H   3.400 . 5.000 4.284 4.213 4.338     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       641 1  5 ILE QG  1  9 ILE MD  3.400 . 5.000 4.571 4.466 4.616     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       642 1  5 ILE HB  1  9 ILE MD  3.400 . 5.000 4.386 4.127 4.438     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       643 1  5 ILE HA  1  9 ILE MD  3.900 . 6.000 5.983 5.763 6.019 0.019 20 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       644 1  5 ILE HB  1  9 ILE H   3.400 . 5.000 3.953 3.906 4.036     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       645 1  5 ILE MD  1  9 ILE HB  3.400 . 5.000 4.391 4.359 4.571     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       646 1  5 ILE MD  1  9 ILE H   3.400 . 5.000 4.477 4.429 4.599     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       647 1  5 ILE QG  1  9 ILE H   3.400 . 5.000 5.016 4.994 5.059 0.059 36 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       648 1  5 ILE MD  1  9 ILE HA  3.900 . 6.000 5.857 5.829 5.987     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       649 1  5 ILE H   1  9 ILE MD  3.900 . 6.000 6.066 6.054 6.083 0.083 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       650 1  6 TRP HA  1 10 ALA H   3.400 . 5.000 2.128 2.083 2.205     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       651 1  6 TRP HE3 1 10 ALA MB  3.400 . 5.000 3.454 3.417 3.490     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       652 1  6 TRP HE3 1 10 ALA H   3.400 . 5.000 4.088 4.063 4.130     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       653 1  6 TRP HA  1 10 ALA MB  3.900 . 6.000 2.095 2.077 2.127     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       654 1  6 TRP HA  1 10 ALA HA  3.900 . 6.000 4.190 4.146 4.236     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       655 1  6 TRP HZ3 1 10 ALA MB  3.900 . 6.000 4.584 4.526 4.629     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       656 1  6 TRP HD1 1 10 ALA H   3.900 . 6.000 5.412 5.369 5.513     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       657 1  6 TRP H   1 10 ALA MB  3.900 . 6.000 4.187 4.156 4.224     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       658 1  6 TRP HD1 1 10 ALA MB  3.900 . 6.000 2.671 2.623 2.800     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       659 1  7 GLU QB  1 11 GLY H   3.900 . 6.000 4.598 4.507 4.641     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       660 1  7 GLU QG  1 11 GLY H   3.900 . 6.000 4.289 3.984 4.656     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       661 1  8 VAL QG  1 12 LEU QB  2.900 . 4.000 3.940 3.880 4.005 0.005 38 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       662 1  9 ILE HA  1 13 VAL H   2.900 . 4.000 4.027 4.016 4.051 0.051 27 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       663 1  9 ILE MG  1 13 VAL HB  3.900 . 6.000 5.088 5.022 5.213     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       664 1  9 ILE MG  1 13 VAL H   3.900 . 6.000 5.160 5.136 5.217     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       665 1  9 ILE H   1 13 VAL HB  3.900 . 6.000 6.040 6.012 6.056 0.056 39 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       666 1  9 ILE HA  1 13 VAL HB  3.900 . 6.000 4.482 4.426 4.569     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       667 1 10 ALA H   1 14 ALA MB  3.400 . 5.000 4.679 4.472 4.934     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       668 1 10 ALA HA  1 14 ALA H   2.900 . 4.000 1.997 1.841 2.178     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       669 1 11 GLY QA  1 15 LEU H   2.900 . 4.000 3.313 3.181 3.463     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       670 1 12 LEU HA  1 16 LEU HG  2.900 . 4.000 3.776 3.637 3.889     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       671 1 12 LEU QB  1 16 LEU H   3.900 . 6.000 5.948 5.876 6.001 0.001 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       672 1 12 LEU HG  1 16 LEU H   3.900 . 6.000 5.992 5.919 6.016 0.016 32 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       673 1 13 VAL QG  1 17 THR H   2.900 . 4.000 3.908 3.703 4.005 0.005 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       674 1 13 VAL QG  1 17 THR HA  3.400 . 5.000 4.271 4.109 4.391     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       675 1 13 VAL QG  1 17 THR HB  2.900 . 4.000 2.578 2.292 2.746     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       676 1 13 VAL HA  1 17 THR H   3.400 . 5.000 4.366 4.103 4.612     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       677 1 13 VAL HA  1 17 THR HB  3.900 . 6.000 4.415 4.232 4.581     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       678 1 14 ALA HA  1 18 PHE H   2.900 . 4.000 2.461 1.936 3.439     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       679 1 14 ALA MB  1 18 PHE QD  2.900 . 4.000 3.920 3.634 4.028 0.028 40 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       680 1 14 ALA MB  1 18 PHE QE  3.900 . 6.000 5.436 5.148 5.612     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       681 1 14 ALA MB  1 18 PHE QB  3.400 . 5.000 2.728 2.163 3.200     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       682 1 14 ALA MB  1 18 PHE HA  3.400 . 5.000 4.913 4.597 5.115 0.115 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       683 1 14 ALA HA  1 18 PHE QD  3.900 . 6.000 4.553 4.387 4.794     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       684 1 14 ALA HA  1 18 PHE QB  3.900 . 6.000 3.035 2.289 3.581     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       685 1 14 ALA HA  1 18 PHE HA  3.900 . 6.000 4.645 4.234 4.925     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       686 1 15 LEU HG  1 19 LEU HG  3.400 . 5.000 4.472 3.793 5.103 0.103 40 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       687 1 15 LEU QD  1 19 LEU QB  2.900 . 4.000 3.588 3.328 4.012 0.012 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       688 1 15 LEU HG  1 19 LEU QB  3.900 . 6.000 4.606 4.039 5.239     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       689 1 17 THR MG  1 21 PHE QD  2.900 . 4.000 2.446 2.279 3.147     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       690 1 17 THR MG  1 21 PHE H   3.400 . 5.000 3.586 3.301 4.318     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       691 1 17 THR HA  1 21 PHE H   3.400 . 5.000 3.575 3.481 3.684     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       692 1 17 THR HA  1 21 PHE QD  3.400 . 5.000 2.745 2.341 3.722     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       693 1 17 THR HA  1 21 PHE HA  3.900 . 6.000 6.022 5.890 6.116 0.116 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       694 1 19 LEU HA  1 23 PHE HA  3.400 . 5.000 5.064 5.011 5.126 0.126 28 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       695 1 19 LEU QD  1 23 PHE H   3.400 . 5.000 3.977 3.750 4.779     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       696 1 21 PHE QB  1 25 LEU QB  3.400 . 5.000 3.803 3.659 4.090     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       697 1 21 PHE H   1 25 LEU H   3.900 . 6.000 5.985 5.707 6.070 0.070 31 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       698 1 21 PHE HA  1 25 LEU H   3.400 . 5.000 3.789 3.500 3.981     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       699 1 21 PHE HA  1 25 LEU QD  3.900 . 6.000 3.961 3.590 4.240     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       700 1 21 PHE H   1 25 LEU QB  3.900 . 6.000 6.000 5.866 6.038 0.038 32 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       701 1 22 GLY QA  1 26 PHE H   3.400 . 5.000 3.358 3.170 3.682     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       702 1 22 GLY QA  1 26 PHE QB  3.900 . 6.000 4.528 4.305 4.959     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       703 1 22 GLY H   1 26 PHE H   3.900 . 6.000 5.901 5.778 6.074 0.074 18 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       704 1 23 PHE HZ  1 27 LYS QE  3.400 . 5.000 4.842 3.331 5.017 0.017 42 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       705 1 23 PHE HZ  1 27 LYS QG  3.900 . 6.000 5.837 4.552 6.055 0.055 29 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       706 1 23 PHE HA  1 27 LYS H   3.400 . 5.000 4.258 4.020 4.635     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       707 1 24 TRP HZ2 1 28 TYR QE  2.900 . 4.000 3.149 2.777 3.430     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       708 1 24 TRP HD1 1 28 TYR QD  3.400 . 5.000 4.302 4.190 4.457     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       709 1 24 TRP HH2 1 28 TYR QE  2.900 . 4.000 3.284 2.819 3.805     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       710 1 24 TRP HA  1 28 TYR QD  3.400 . 5.000 5.029 4.999 5.084 0.084 17 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       711 1 24 TRP HD1 1 28 TYR HA  3.400 . 5.000 4.727 4.418 5.008 0.008 43 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       712 1 24 TRP HE3 1 28 TYR QD  3.400 . 5.000 4.467 4.227 4.773     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       713 1 24 TRP HD1 1 28 TYR H   3.900 . 6.000 4.815 4.380 5.491     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       714 1 24 TRP HD1 1 28 TYR QB  3.900 . 6.000 2.571 2.397 2.808     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       715 1 24 TRP HE1 1 28 TYR QD  3.900 . 6.000 3.248 2.835 3.481     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       716 1 24 TRP HE3 1 28 TYR QB  3.900 . 6.000 5.076 4.999 5.176     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       717 1 24 TRP HE1 1 28 TYR QE  3.900 . 6.000 4.409 3.995 4.680     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       718 1 24 TRP HZ3 1 28 TYR QB  3.900 . 6.000 6.022 6.004 6.047 0.047 44 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       719 1 24 TRP HE1 1 28 TYR QB  3.900 . 6.000 2.274 2.110 2.520     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       720 1 25 LEU HA  1 29 LEU H   3.400 . 5.000 3.663 3.141 3.832     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       721 1 25 LEU HG  1 29 LEU H   3.900 . 6.000 5.986 5.493 6.106 0.106 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       722 1 25 LEU QB  1 29 LEU H   3.900 . 6.000 4.656 4.591 4.796     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       723 1 26 PHE QE  1 30 GLN QE  2.900 . 4.000 4.033 4.004 4.066 0.066 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       724 1 26 PHE QD  1 30 GLN QE  3.400 . 5.000 2.438 2.240 2.564     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       725 1 26 PHE QD  1 30 GLN H   3.400 . 5.000 4.196 3.959 4.705     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       726 1 26 PHE QE  1 30 GLN QB  3.900 . 6.000 4.903 4.740 5.620     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       727 1 26 PHE QD  1 30 GLN QG  3.400 . 5.000 4.754 4.625 4.887     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       728 1 26 PHE QD  1 30 GLN QB  3.900 . 6.000 2.898 2.697 3.543     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       729 1 27 LYS QZ  1 31 LYS QB  3.900 . 6.000 5.467 3.617 6.034 0.034 49 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       730 1 27 LYS HA  1 31 LYS H   3.900 . 6.000 4.190 3.818 5.319     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       731 1 28 TYR QB  1 32 LYS QG  3.900 . 6.000 5.672 3.791 6.076 0.076 24 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       732 1  2 LYS QD  1  7 GLU HA  3.400 . 5.000 4.981 4.510 5.079 0.079 38 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       733 1  5 ILE MD  1 10 ALA H   3.900 . 6.000 4.551 4.498 4.687     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       734 1  5 ILE QG  1 10 ALA H   3.900 . 6.000 5.277 5.262 5.293     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       735 1  7 GLU HA  1 12 LEU HA  3.900 . 6.000 6.068 6.041 6.090 0.090  9 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
       736 1 22 GLY QA  1 27 LYS QD  3.900 . 6.000 5.936 4.910 6.126 0.126 35 0 "[    .    1    .    2    .    3    .    4    .    5]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              87
    _Distance_constraint_stats_list.Viol_count                    251
    _Distance_constraint_stats_list.Viol_total                    388.053
    _Distance_constraint_stats_list.Viol_max                      0.109
    _Distance_constraint_stats_list.Viol_rms                      0.0091
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0018
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0309
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       .

    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1  3 HIS 0.218 0.053 25 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  4 THR 0.000 0.000  . 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  5 ILE 1.408 0.054 37 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  6 TRP 0.219 0.062 36 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  7 GLU 0.000 0.000  . 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  8 VAL 1.922 0.062 36 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1  9 ILE 4.898 0.070 14 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 10 ALA 0.000 0.000  . 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 11 GLY 2.977 0.070 14 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 12 LEU 3.053 0.070 14 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 13 VAL 0.000 0.000  . 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 14 ALA 0.325 0.036 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 15 LEU 0.032 0.006  2 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 16 LEU 0.177 0.021 24 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 17 THR 0.000 0.000  . 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 18 PHE 0.437 0.036 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 19 LEU 0.437 0.036 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 20 ALA 0.000 0.000  . 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 21 PHE 0.034 0.018 28 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 22 GLY 0.000 0.000  . 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 23 PHE 0.095 0.045 32 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 24 TRP 0.095 0.045 32 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 25 LEU 2.207 0.109 47 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 26 PHE 0.120 0.085 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 27 LYS 0.095 0.045 32 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 28 TYR 2.178 0.109 47 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 29 LEU 0.974 0.109 47 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 30 GLN 0.091 0.085 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 31 LYS 1.329 0.086 33 0 "[    .    1    .    2    .    3    .    4    .    5]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

        1 1 14 ALA H   1 14 ALA MB 2.300 . 2.800 1.927 1.867 1.953     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
        2 1 25 LEU QD  1 28 TYR QD 2.900 . 4.000 3.227 3.010 3.353     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
        3 1 16 LEU H   1 16 LEU HA 2.300 . 2.800 2.570 2.555 2.588     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
        4 1 21 PHE QE  1 25 LEU QD 2.900 . 4.000 3.881 3.784 4.018 0.018 28 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
        5 1 25 LEU QD  1 28 TYR QE 2.300 . 2.800 2.601 2.116 2.909 0.109 47 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
        6 1  5 ILE HA  1  8 VAL QG 2.300 . 2.800 2.170 2.117 2.315     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
        7 1 18 PHE HA  1 18 PHE QD 2.300 . 2.800 2.289 2.129 2.564     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
        8 1 13 VAL QG  1 14 ALA H  2.900 . 4.000 2.887 2.859 2.915     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
        9 1 26 PHE HA  1 26 PHE QD 2.900 . 4.000 2.323 2.274 2.450     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       10 1 14 ALA H   1 15 LEU H  2.900 . 4.000 2.395 2.353 2.476     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       11 1  9 ILE H   1 10 ALA H  2.900 . 4.000 1.961 1.907 2.000     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       12 1 21 PHE QD  1 25 LEU QD 2.900 . 4.000 3.437 3.043 3.955     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       13 1  9 ILE H   1 10 ALA MB 2.900 . 4.000 1.965 1.938 1.980     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       14 1  9 ILE QG  1 10 ALA H  2.900 . 4.000 3.489 3.452 3.525     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       15 1  9 ILE QG  1 10 ALA MB 2.900 . 4.000 3.896 3.856 3.938     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       16 1  8 VAL HA  1 12 LEU H  2.900 . 4.000 3.692 3.671 3.713     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       17 1  5 ILE MG  1  9 ILE MD 3.400 . 5.000 4.769 4.682 4.820     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       18 1 14 ALA H   1 18 PHE H  2.900 . 4.000 2.847 2.448 2.940     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       19 1  8 VAL HA  1 12 LEU QD 2.900 . 4.000 2.976 2.919 3.031     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       20 1 15 LEU HG  1 16 LEU H  2.900 . 4.000 3.926 3.882 3.994     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       21 1  8 VAL HA  1 10 ALA H  2.900 . 4.000 3.494 3.479 3.504     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       22 1 21 PHE HZ  1 25 LEU QD 2.900 . 4.000 3.353 3.260 3.437     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       23 1 14 ALA H   1 15 LEU QD 2.900 . 4.000 3.964 3.857 4.006 0.006  2 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       24 1 16 LEU H   1 17 THR HA 2.900 . 4.000 3.267 3.043 3.681     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       25 1  5 ILE MG  1  8 VAL HA 2.900 . 4.000 2.965 2.910 3.019     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       26 1 14 ALA H   1 15 LEU HA 2.900 . 4.000 3.125 2.851 3.266     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       27 1 13 VAL HA  1 14 ALA H  2.900 . 4.000 2.907 2.873 2.946     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       28 1 19 LEU H   1 21 PHE H  2.900 . 4.000 2.752 2.255 3.048     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       29 1 16 LEU HA  1 18 PHE H  3.400 . 5.000 4.876 4.190 5.021 0.021 24 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       30 1  7 GLU HA  1  9 ILE H  2.900 . 4.000 2.506 2.398 2.548     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       31 1 14 ALA H   1 17 THR H  2.900 . 4.000 2.304 2.237 2.417     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       32 1  8 VAL HA  1 12 LEU QB 2.900 . 4.000 2.393 2.342 2.443     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       33 1  5 ILE MD  1  8 VAL QG 2.900 . 4.000 3.966 3.940 4.011 0.011 13 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       34 1 21 PHE HZ  1 25 LEU HA 2.900 . 4.000 3.498 3.279 3.775     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       35 1 13 VAL HA  1 14 ALA MB 2.900 . 4.000 3.015 2.917 3.106     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       36 1 20 ALA MB  1 21 PHE QD 2.900 . 4.000 2.334 2.236 3.369     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       37 1  5 ILE HB  1  8 VAL QG 2.900 . 4.000 3.626 3.564 3.748     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       38 1  5 ILE QG  1  8 VAL QG 3.400 . 5.000 4.354 4.265 4.532     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       39 1 28 TYR QD  1 29 LEU QB 2.900 . 4.000 2.307 1.795 2.742 0.005 48 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       40 1  5 ILE HA  1  8 VAL HA 3.400 . 5.000 5.028 5.012 5.054 0.054 37 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       41 1  9 ILE H   1 12 LEU QD 3.400 . 5.000 4.523 4.493 4.551     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       42 1 24 TRP HA  1 27 LYS H  2.900 . 4.000 3.306 3.002 3.372     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       43 1 12 LEU HA  1 13 VAL H  2.900 . 4.000 3.439 3.392 3.466     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       44 1 18 PHE HA  1 19 LEU H  2.900 . 4.000 3.430 3.292 3.505     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       45 1  3 HIS HE1 1  4 THR MG 2.900 . 4.000 2.912 2.781 3.569     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       46 1 21 PHE HZ  1 25 LEU H  2.900 . 4.000 2.581 2.378 2.835     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       47 1 13 VAL HB  1 14 ALA H  2.900 . 4.000 2.303 2.217 2.390     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       48 1 14 ALA H   1 17 THR HB 2.900 . 4.000 3.510 3.433 3.607     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       49 1 19 LEU H   1 22 GLY QA 3.400 . 5.000 4.546 4.459 4.655     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       50 1 26 PHE HA  1 29 LEU H  2.900 . 4.000 3.325 3.023 4.085 0.085 46 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       51 1 13 VAL HB  1 14 ALA MB 3.400 . 5.000 3.911 3.845 3.998     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       52 1 23 PHE QD  1 27 LYS QG 3.400 . 5.000 3.061 2.407 4.669     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       53 1  8 VAL HA  1 12 LEU HA 3.400 . 5.000 4.989 4.948 5.019 0.019 36 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       54 1  8 VAL HA  1 12 LEU HG 3.400 . 5.000 4.864 4.781 4.929     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       55 1 24 TRP HA  1 27 LYS QB 3.400 . 5.000 2.750 2.491 3.599     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       56 1 24 TRP HA  1 27 LYS QG 3.400 . 5.000 3.816 2.851 4.583     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       57 1 18 PHE HA  1 22 GLY H  3.400 . 5.000 3.432 2.989 3.913     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       58 1 14 ALA H   1 18 PHE QD 3.400 . 5.000 3.801 3.727 3.905     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       59 1 28 TYR QE  1 29 LEU QB 3.400 . 5.000 2.935 2.553 3.369     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       60 1 25 LEU HG  1 29 LEU QB 3.400 . 5.000 2.549 2.122 3.117     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       61 1  9 ILE H   1 12 LEU QB 3.400 . 5.000 3.705 3.673 3.727     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       62 1 15 LEU HG  1 18 PHE QD 3.400 . 5.000 4.012 3.946 4.095     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       63 1  3 HIS QB  1  8 VAL QG 3.400 . 5.000 4.578 4.045 5.027 0.027 37 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       64 1 18 PHE QD  1 22 GLY QA 3.400 . 5.000 4.007 3.607 4.293     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       65 1 25 LEU HG  1 28 TYR QE 3.400 . 5.000 4.995 4.703 5.086 0.086 33 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       66 1 19 LEU H   1 21 PHE QD 3.400 . 5.000 3.843 3.394 4.901     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       67 1  9 ILE H   1 12 LEU HA 3.400 . 5.000 5.060 5.048 5.070 0.070 14 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       68 1  5 ILE HB  1  9 ILE MD 3.400 . 5.000 4.096 3.929 4.134     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       69 1  6 TRP HE3 1  8 VAL QG 3.400 . 5.000 4.946 4.840 5.062 0.062 36 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       70 1 21 PHE HZ  1 25 LEU HG 3.400 . 5.000 2.482 2.336 2.598     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       71 1 21 PHE QD  1 25 LEU HG 3.900 . 6.000 4.211 3.877 5.086     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       72 1 14 ALA H   1 18 PHE QE 3.900 . 6.000 5.979 5.881 6.036 0.036 26 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       73 1 17 THR HB  1 18 PHE QD 3.900 . 6.000 4.755 4.365 4.900     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       74 1 18 PHE HA  1 22 GLY QA 3.400 . 5.000 3.658 3.476 3.775     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       75 1 17 THR HA  1 18 PHE QD 3.400 . 5.000 3.251 2.550 3.474     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       76 1  6 TRP H   1  8 VAL QG 3.400 . 5.000 4.197 4.006 4.561     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       77 1 25 LEU QD  1 27 LYS H  3.900 . 6.000 5.425 4.987 5.655     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       78 1  5 ILE H   1  8 VAL QG 3.400 . 5.000 4.292 4.107 4.547     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       79 1 24 TRP HA  1 28 TYR QB 3.900 . 6.000 3.379 3.209 3.639     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       80 1 23 PHE QD  1 27 LYS H  3.900 . 6.000 5.218 4.570 5.566     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       81 1 27 LYS QG  1 29 LEU QB 3.900 . 6.000 5.077 4.672 5.620     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       82 1 23 PHE QD  1 27 LYS QE 3.900 . 6.000 3.077 2.574 4.235     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       83 1 23 PHE QD  1 27 LYS QB 3.900 . 6.000 4.119 3.511 4.891     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       84 1  3 HIS HD2 1  8 VAL QG 3.900 . 6.000 5.712 4.999 6.053 0.053 25 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       85 1  4 THR HA  1  8 VAL QG 3.900 . 6.000 5.034 4.595 5.314     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       86 1 23 PHE QE  1 24 TRP H  3.900 . 6.000 5.467 4.551 6.045 0.045 32 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
       87 1 28 TYR QB  1 29 LEU QB 3.900 . 6.000 4.006 3.912 4.122     .  0 0 "[    .    1    .    2    .    3    .    4    .    5]" 2 
    stop_

save_


save_distance_constraint_statistics_3
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            3
    _Distance_constraint_stats_list.Constraint_count              20
    _Distance_constraint_stats_list.Viol_count                    441
    _Distance_constraint_stats_list.Viol_total                    4951.717
    _Distance_constraint_stats_list.Viol_max                      1.619
    _Distance_constraint_stats_list.Viol_rms                      0.2425
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0990
    _Distance_constraint_stats_list.Viol_average_violations_only  0.2246
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       .

    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1  9 ILE  3.611 0.086  7  0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 10 ALA  4.437 0.095 49  0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 13 VAL  7.507 0.089 30  0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 14 ALA 10.103 0.148 26  0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 17 THR  4.911 0.389 26  0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 18 PHE  5.733 0.148 26  0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 19 LEU  9.079 0.574 46  1 "[    .    1    .    2    .    3    .    4    .+   5]" 
       1 21 PHE  1.066 0.389 26  0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 22 GLY  1.886 0.127 35  0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 23 PHE 78.472 1.619 50 40 "[******-**** ***    ********* 3 *********** *.****+]" 
       1 25 LEU  0.052 0.025 46  0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 26 PHE  1.818 0.127 35  0 "[    .    1    .    2    .    3    .    4    .    5]" 
       1 27 LYS 69.393 1.619 50 40 "[******-**** ***    ********* 3 *********** *.****+]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

        1 1  9 ILE O 1 13 VAL H 2.200     . 2.400 1.839 1.813 1.938     .  0  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
        2 1  9 ILE O 1 13 VAL N 3.300 2.500 3.500 2.428 2.414 2.533 0.086  7  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
        3 1 10 ALA O 1 14 ALA H 2.200     . 2.400 1.909 1.792 2.042     .  0  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
        4 1 10 ALA O 1 14 ALA N 3.300 2.500 3.500 2.411 2.405 2.422 0.095 49  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
        5 1 13 VAL O 1 17 THR H 2.200     . 2.400 2.013 1.764 2.269     .  0  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
        6 1 13 VAL O 1 17 THR N 3.300 2.500 3.500 2.422 2.411 2.484 0.089 30  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
        7 1 14 ALA O 1 18 PHE H 2.200     . 2.400 1.764 1.552 2.168 0.148 26  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
        8 1 14 ALA O 1 18 PHE N 3.300 2.500 3.500 2.417 2.398 2.440 0.102 40  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
        9 1 17 THR O 1 21 PHE H 2.200     . 2.400 1.784 1.658 2.789 0.389 26  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
       10 1 17 THR O 1 21 PHE N 3.300 2.500 3.500 2.745 2.611 3.657 0.157 26  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
       11 1 18 PHE O 1 22 GLY H 2.200     . 2.400 1.859 1.693 2.135 0.007 25  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
       12 1 18 PHE O 1 22 GLY N 3.300 2.500 3.500 2.608 2.469 2.843 0.031 25  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
       13 1 19 LEU O 1 23 PHE H 2.200     . 2.400 2.058 1.628 2.974 0.574 46  1 "[    .    1    .    2    .    3    .    4    .+   5]" 3 
       14 1 19 LEU O 1 23 PHE N 3.300 2.500 3.500 2.978 2.588 3.791 0.291 46  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
       15 1 21 PHE O 1 25 LEU H 2.200     . 2.400 1.890 1.675 2.015 0.025 46  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
       16 1 21 PHE O 1 25 LEU N 3.300 2.500 3.500 2.711 2.560 2.845     .  0  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
       17 1 22 GLY O 1 26 PHE H 2.200     . 2.400 2.372 2.082 2.527 0.127 35  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
       18 1 22 GLY O 1 26 PHE N 3.300 2.500 3.500 3.297 3.029 3.430     .  0  0 "[    .    1    .    2    .    3    .    4    .    5]" 3 
       19 1 23 PHE O 1 27 LYS H 2.200     . 2.400 3.240 1.893 4.019 1.619 50 40 "[******-**** ***    ********* 3 *********** *.****+]" 3 
       20 1 23 PHE O 1 27 LYS N 3.300 2.500 3.500 3.926 2.799 4.666 1.166 50 35 "[****.*  *** * *    ********* 3 ******* *** *.***-+]" 3 
    stop_

save_



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