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
430725 2jov 15203 cing 4-filtered-FRED Wattos check violation distance


data_2jov


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              690
    _Distance_constraint_stats_list.Viol_count                    796
    _Distance_constraint_stats_list.Viol_total                    104.510
    _Distance_constraint_stats_list.Viol_max                      0.031
    _Distance_constraint_stats_list.Viol_rms                      0.0020
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0004
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0066
    _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  3 LYS 0.107 0.017  7 0 "[    .    1    .    2]" 
       1  4 ASP 0.050 0.010  1 0 "[    .    1    .    2]" 
       1  5 ILE 0.265 0.020  6 0 "[    .    1    .    2]" 
       1  6 PHE 0.296 0.017  3 0 "[    .    1    .    2]" 
       1  7 THR 0.108 0.022  5 0 "[    .    1    .    2]" 
       1  8 SER 0.071 0.009  3 0 "[    .    1    .    2]" 
       1  9 VAL 0.020 0.008 12 0 "[    .    1    .    2]" 
       1 10 VAL 0.036 0.010 15 0 "[    .    1    .    2]" 
       1 11 ARG 0.062 0.011 14 0 "[    .    1    .    2]" 
       1 12 VAL 0.368 0.023 10 0 "[    .    1    .    2]" 
       1 13 ARG 0.138 0.017  3 0 "[    .    1    .    2]" 
       1 14 GLY 0.105 0.021  2 0 "[    .    1    .    2]" 
       1 15 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 16 LYS 0.392 0.023 16 0 "[    .    1    .    2]" 
       1 17 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 18 TYR 0.184 0.023 16 0 "[    .    1    .    2]" 
       1 19 ASN 0.136 0.023 16 0 "[    .    1    .    2]" 
       1 20 VAL 0.204 0.023 16 0 "[    .    1    .    2]" 
       1 21 VAL 0.205 0.023  5 0 "[    .    1    .    2]" 
       1 22 PRO 0.051 0.010 14 0 "[    .    1    .    2]" 
       1 23 VAL 0.225 0.011 15 0 "[    .    1    .    2]" 
       1 24 LYS 0.030 0.008  7 0 "[    .    1    .    2]" 
       1 25 SER 0.420 0.022  5 0 "[    .    1    .    2]" 
       1 26 ASN 0.199 0.019 19 0 "[    .    1    .    2]" 
       1 27 LYS 0.117 0.009 11 0 "[    .    1    .    2]" 
       1 28 PRO 0.127 0.013  6 0 "[    .    1    .    2]" 
       1 29 VAL 0.401 0.020  6 0 "[    .    1    .    2]" 
       1 30 GLU 0.086 0.017  7 0 "[    .    1    .    2]" 
       1 31 ILE 0.109 0.031 18 0 "[    .    1    .    2]" 
       1 32 SER 0.111 0.031 18 0 "[    .    1    .    2]" 
       1 33 LYS 0.095 0.022 10 0 "[    .    1    .    2]" 
       1 34 TRP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 35 ILE 0.045 0.010  9 0 "[    .    1    .    2]" 
       1 36 ASP 0.079 0.020 20 0 "[    .    1    .    2]" 
       1 37 PHE 0.081 0.007 10 0 "[    .    1    .    2]" 
       1 38 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 39 ASN 0.065 0.020 20 0 "[    .    1    .    2]" 
       1 40 VAL 0.102 0.011 17 0 "[    .    1    .    2]" 
       1 41 LEU 0.136 0.021 17 0 "[    .    1    .    2]" 
       1 42 SER 0.027 0.021 17 0 "[    .    1    .    2]" 
       1 43 ARG 0.015 0.005  3 0 "[    .    1    .    2]" 
       1 44 LEU 0.103 0.019 19 0 "[    .    1    .    2]" 
       1 45 TYR 0.109 0.019 19 0 "[    .    1    .    2]" 
       1 46 VAL 0.043 0.005  9 0 "[    .    1    .    2]" 
       1 47 GLY 0.165 0.021 18 0 "[    .    1    .    2]" 
       1 48 VAL 0.137 0.021 18 0 "[    .    1    .    2]" 
       1 49 PRO 0.099 0.011 16 0 "[    .    1    .    2]" 
       1 50 THR 0.251 0.023  6 0 "[    .    1    .    2]" 
       1 51 LYS 0.072 0.018 11 0 "[    .    1    .    2]" 
       1 52 SER 0.114 0.021 11 0 "[    .    1    .    2]" 
       1 53 GLY 0.048 0.009  5 0 "[    .    1    .    2]" 
       1 54 ASN 0.341 0.028 14 0 "[    .    1    .    2]" 
       1 55 VAL 0.279 0.018  3 0 "[    .    1    .    2]" 
       1 56 VAL 0.042 0.008 10 0 "[    .    1    .    2]" 
       1 57 CYS 0.042 0.010  5 0 "[    .    1    .    2]" 
       1 58 LYS 0.085 0.018  3 0 "[    .    1    .    2]" 
       1 59 ASN 0.110 0.022  6 0 "[    .    1    .    2]" 
       1 60 ILE 0.158 0.019 11 0 "[    .    1    .    2]" 
       1 61 MET 0.117 0.011 17 0 "[    .    1    .    2]" 
       1 62 ASN 0.016 0.007  6 0 "[    .    1    .    2]" 
       1 63 THR 0.200 0.022  6 0 "[    .    1    .    2]" 
       1 64 GLY 0.024 0.010 19 0 "[    .    1    .    2]" 
       1 65 VAL 0.439 0.021 12 0 "[    .    1    .    2]" 
       1 66 ASP 0.016 0.005  5 0 "[    .    1    .    2]" 
       1 67 ILE 0.192 0.011  2 0 "[    .    1    .    2]" 
       1 68 ILE 0.130 0.009  5 0 "[    .    1    .    2]" 
       1 69 CYS 0.150 0.018  7 0 "[    .    1    .    2]" 
       1 70 THR 0.609 0.028 14 0 "[    .    1    .    2]" 
       1 71 LYS 0.121 0.014  8 0 "[    .    1    .    2]" 
       1 72 ASN 0.268 0.026 15 0 "[    .    1    .    2]" 
       1 73 LEU 0.362 0.023  6 0 "[    .    1    .    2]" 
       1 74 PRO 0.036 0.012 13 0 "[    .    1    .    2]" 
       1 75 LYS 0.154 0.024 15 0 "[    .    1    .    2]" 
       1 76 ASP 0.119 0.024 15 0 "[    .    1    .    2]" 
       1 77 SER 0.009 0.009  8 0 "[    .    1    .    2]" 
       1 78 LEU 0.016 0.009  8 0 "[    .    1    .    2]" 
       1 79 GLU 0.007 0.007  4 0 "[    .    1    .    2]" 
    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  3 LYS HA   1 31 ILE MG   1.800 . 5.000 3.868 2.696 4.907     .  0 0 "[    .    1    .    2]" 1 
         2 1  3 LYS HA   1  4 ASP H    1.800 . 2.900 2.236 2.112 2.448     .  0 0 "[    .    1    .    2]" 1 
         3 1  3 LYS QB   1 28 PRO QB   1.800 . 5.000 2.120 1.787 3.370 0.013  6 0 "[    .    1    .    2]" 1 
         4 1  3 LYS QB   1 29 VAL H    1.800 . 5.000 3.548 2.942 4.205     .  0 0 "[    .    1    .    2]" 1 
         5 1  3 LYS QB   1 30 GLU HA   1.800 . 5.000 3.639 2.971 4.866     .  0 0 "[    .    1    .    2]" 1 
         6 1  3 LYS QD   1 30 GLU HA   1.800 . 5.000 3.793 2.333 4.996     .  0 0 "[    .    1    .    2]" 1 
         7 1  3 LYS QD   1 30 GLU HG3  1.800 . 5.000 3.702 2.312 5.017 0.017  7 0 "[    .    1    .    2]" 1 
         8 1  3 LYS QD   1 30 GLU HG2  1.800 . 5.000 3.782 2.703 5.006 0.006  9 0 "[    .    1    .    2]" 1 
         9 1  3 LYS QD   1 30 GLU H    1.800 . 5.000 3.587 2.296 4.817     .  0 0 "[    .    1    .    2]" 1 
        10 1  3 LYS QE   1 30 GLU HG3  1.800 . 5.000 3.084 1.827 4.897     .  0 0 "[    .    1    .    2]" 1 
        11 1  3 LYS QE   1 30 GLU HG2  1.800 . 5.000 3.078 1.794 4.585 0.006 12 0 "[    .    1    .    2]" 1 
        12 1  3 LYS QE   1 30 GLU H    1.800 . 5.000 4.241 3.334 5.007 0.007 18 0 "[    .    1    .    2]" 1 
        13 1  3 LYS QG   1 30 GLU HA   1.800 . 5.000 2.743 1.796 4.192 0.004 11 0 "[    .    1    .    2]" 1 
        14 1  3 LYS QG   1 30 GLU HG3  1.800 . 5.000 3.455 1.903 5.006 0.006 16 0 "[    .    1    .    2]" 1 
        15 1  3 LYS QG   1 30 GLU HG2  1.800 . 5.000 3.237 1.793 5.004 0.007  6 0 "[    .    1    .    2]" 1 
        16 1  4 ASP HA   1 28 PRO QB   1.800 . 5.000 3.427 3.060 4.022     .  0 0 "[    .    1    .    2]" 1 
        17 1  4 ASP HA   1  5 ILE H    1.800 . 2.900 2.355 2.181 2.655     .  0 0 "[    .    1    .    2]" 1 
        18 1  4 ASP QB   1 31 ILE MD   1.800 . 5.000 4.368 2.934 5.009 0.009 10 0 "[    .    1    .    2]" 1 
        19 1  4 ASP QB   1 31 ILE MG   1.800 . 5.000 3.200 2.160 4.969     .  0 0 "[    .    1    .    2]" 1 
        20 1  4 ASP H    1 29 VAL QG   1.800 . 5.000 3.915 3.395 4.453     .  0 0 "[    .    1    .    2]" 1 
        21 1  4 ASP H    1 29 VAL H    1.800 . 4.000 3.186 2.687 3.841     .  0 0 "[    .    1    .    2]" 1 
        22 1  4 ASP H    1 30 GLU HA   1.800 . 4.000 3.641 3.157 4.008 0.008 12 0 "[    .    1    .    2]" 1 
        23 1  4 ASP H    1 31 ILE MG   1.800 . 5.000 3.787 2.414 5.010 0.010  1 0 "[    .    1    .    2]" 1 
        24 1  4 ASP H    1  5 ILE H    1.800 . 5.000 4.423 4.345 4.501     .  0 0 "[    .    1    .    2]" 1 
        25 1  5 ILE HA   1 28 PRO HA   1.800 . 3.000 2.570 2.158 2.826     .  0 0 "[    .    1    .    2]" 1 
        26 1  5 ILE HA   1 29 VAL H    1.800 . 4.000 3.050 2.397 3.266     .  0 0 "[    .    1    .    2]" 1 
        27 1  5 ILE HA   1  6 PHE H    1.800 . 2.900 2.144 2.103 2.206     .  0 0 "[    .    1    .    2]" 1 
        28 1  5 ILE HB   1  6 PHE H    1.800 . 5.000 4.371 4.224 4.456     .  0 0 "[    .    1    .    2]" 1 
        29 1  5 ILE MD   1 25 SER HA   1.800 . 5.000 4.988 4.779 5.009 0.009  1 0 "[    .    1    .    2]" 1 
        30 1  5 ILE MD   1 27 LYS HA   1.800 . 5.000 3.409 2.963 3.799     .  0 0 "[    .    1    .    2]" 1 
        31 1  5 ILE MD   1 27 LYS H    1.800 . 5.000 3.864 3.360 4.312     .  0 0 "[    .    1    .    2]" 1 
        32 1  5 ILE MD   1 28 PRO HA   1.800 . 5.000 2.028 1.806 3.452     .  0 0 "[    .    1    .    2]" 1 
        33 1  5 ILE MD   1 28 PRO HD3  1.800 . 5.000 2.822 2.450 3.128     .  0 0 "[    .    1    .    2]" 1 
        34 1  5 ILE MD   1 28 PRO HD2  1.800 . 5.000 4.012 3.772 4.302     .  0 0 "[    .    1    .    2]" 1 
        35 1  5 ILE MD   1 28 PRO HG3  1.800 . 5.000 3.100 2.298 4.184     .  0 0 "[    .    1    .    2]" 1 
        36 1  5 ILE MD   1 28 PRO HG2  1.800 . 5.000 4.195 3.791 4.707     .  0 0 "[    .    1    .    2]" 1 
        37 1  5 ILE MD   1 29 VAL H    1.800 . 5.000 3.666 3.408 5.015 0.015  4 0 "[    .    1    .    2]" 1 
        38 1  5 ILE MD   1  6 PHE H    1.800 . 5.000 3.687 3.398 4.710     .  0 0 "[    .    1    .    2]" 1 
        39 1  5 ILE QG   1 28 PRO QB   1.800 . 5.000 3.602 2.774 4.133     .  0 0 "[    .    1    .    2]" 1 
        40 1  5 ILE MG   1 24 LYS HA   1.800 . 5.000 3.676 3.337 4.167     .  0 0 "[    .    1    .    2]" 1 
        41 1  5 ILE MG   1 24 LYS QB   1.800 . 5.000 2.591 2.203 3.109     .  0 0 "[    .    1    .    2]" 1 
        42 1  5 ILE MG   1 25 SER HA   1.800 . 5.000 4.307 3.874 4.836     .  0 0 "[    .    1    .    2]" 1 
        43 1  5 ILE MG   1 25 SER H    1.800 . 5.000 2.315 1.948 2.776     .  0 0 "[    .    1    .    2]" 1 
        44 1  5 ILE MG   1 29 VAL H    1.800 . 5.000 4.938 4.408 5.008 0.008  5 0 "[    .    1    .    2]" 1 
        45 1  5 ILE MG   1  6 PHE H    1.800 . 5.000 3.011 2.668 3.281     .  0 0 "[    .    1    .    2]" 1 
        46 1  5 ILE H    1 29 VAL QG   1.800 . 5.000 4.906 4.626 5.020 0.020  6 0 "[    .    1    .    2]" 1 
        47 1  6 PHE HA   1  7 THR H    1.800 . 2.900 2.148 2.107 2.225     .  0 0 "[    .    1    .    2]" 1 
        48 1  6 PHE QB   1 25 SER QB   1.800 . 5.000 2.656 1.798 3.227 0.002  1 0 "[    .    1    .    2]" 1 
        49 1  6 PHE QB   1 25 SER H    1.800 . 5.000 3.946 3.352 4.510     .  0 0 "[    .    1    .    2]" 1 
        50 1  6 PHE QB   1 29 VAL MG1  1.800 . 5.000 2.949 1.873 3.650     .  0 0 "[    .    1    .    2]" 1 
        51 1  6 PHE QB   1 29 VAL MG2  1.800 . 5.000 2.193 1.785 3.823 0.015 12 0 "[    .    1    .    2]" 1 
        52 1  6 PHE QB   1 67 ILE MD   1.800 . 5.000 3.538 3.139 4.125     .  0 0 "[    .    1    .    2]" 1 
        53 1  6 PHE QD   1 25 SER H    1.800 . 5.000 4.578 3.538 5.003 0.003  7 0 "[    .    1    .    2]" 1 
        54 1  6 PHE QD   1 34 TRP HA   1.800 . 5.000 3.168 1.802 4.394     .  0 0 "[    .    1    .    2]" 1 
        55 1  6 PHE QD   1 67 ILE MD   1.800 . 5.000 2.733 2.050 3.328     .  0 0 "[    .    1    .    2]" 1 
        56 1  6 PHE QE   1 23 VAL QG   1.800 . 5.000 3.424 2.415 4.066     .  0 0 "[    .    1    .    2]" 1 
        57 1  6 PHE QE   1 34 TRP HA   1.800 . 5.000 3.125 2.145 4.603     .  0 0 "[    .    1    .    2]" 1 
        58 1  6 PHE QE   1 37 PHE QB   1.800 . 5.000 2.757 2.400 3.135     .  0 0 "[    .    1    .    2]" 1 
        59 1  6 PHE QE   1 38 SER H    1.800 . 5.000 3.744 2.696 4.732     .  0 0 "[    .    1    .    2]" 1 
        60 1  6 PHE QE   1 41 LEU MD1  1.800 . 5.000 2.048 1.799 3.494 0.001  8 0 "[    .    1    .    2]" 1 
        61 1  6 PHE QE   1 41 LEU QD   1.800 . 5.000 1.937 1.797 2.878 0.003 10 0 "[    .    1    .    2]" 1 
        62 1  6 PHE QE   1 67 ILE MG   1.800 . 5.000 3.942 2.433 4.919     .  0 0 "[    .    1    .    2]" 1 
        63 1  6 PHE QE   1  8 SER QB   1.800 . 5.000 3.056 2.563 3.749     .  0 0 "[    .    1    .    2]" 1 
        64 1  6 PHE H    1 25 SER QB   1.800 . 5.000 2.760 2.334 3.313     .  0 0 "[    .    1    .    2]" 1 
        65 1  6 PHE H    1 25 SER H    1.800 . 4.000 3.862 3.479 4.008 0.008  4 0 "[    .    1    .    2]" 1 
        66 1  6 PHE H    1 28 PRO HA   1.800 . 4.000 3.991 3.818 4.012 0.012  3 0 "[    .    1    .    2]" 1 
        67 1  6 PHE H    1 29 VAL HB   1.800 . 5.000 4.218 3.189 5.017 0.017  3 0 "[    .    1    .    2]" 1 
        68 1  6 PHE H    1 29 VAL QG   1.800 . 5.000 2.156 2.004 2.400     .  0 0 "[    .    1    .    2]" 1 
        69 1  6 PHE H    1 29 VAL MG2  1.800 . 5.000 2.579 2.013 5.003 0.003  5 0 "[    .    1    .    2]" 1 
        70 1  7 THR HA   1 24 LYS HA   1.800 . 3.000 2.154 2.020 2.331     .  0 0 "[    .    1    .    2]" 1 
        71 1  7 THR HA   1 25 SER H    1.800 . 4.000 3.969 3.815 4.022 0.022  5 0 "[    .    1    .    2]" 1 
        72 1  7 THR HA   1  8 SER H    1.800 . 2.900 2.188 2.142 2.247     .  0 0 "[    .    1    .    2]" 1 
        73 1  7 THR HB   1  8 SER H    1.800 . 5.000 3.935 3.088 4.215     .  0 0 "[    .    1    .    2]" 1 
        74 1  7 THR MG   1 24 LYS HA   1.800 . 5.000 3.330 2.429 4.497     .  0 0 "[    .    1    .    2]" 1 
        75 1  7 THR MG   1 24 LYS QB   1.800 . 5.000 2.675 1.799 4.143 0.001  9 0 "[    .    1    .    2]" 1 
        76 1  7 THR MG   1 25 SER H    1.800 . 5.000 4.511 3.269 5.004 0.004  7 0 "[    .    1    .    2]" 1 
        77 1  7 THR MG   1  8 SER H    1.800 . 5.000 3.247 2.454 4.073     .  0 0 "[    .    1    .    2]" 1 
        78 1  8 SER HA   1  9 VAL H    1.800 . 3.500 2.680 2.477 2.896     .  0 0 "[    .    1    .    2]" 1 
        79 1  8 SER QB   1 23 VAL MG1  1.800 . 5.000 4.845 2.910 5.009 0.009  3 0 "[    .    1    .    2]" 1 
        80 1  8 SER QB   1 23 VAL MG2  1.800 . 5.000 2.929 2.498 5.000     .  0 0 "[    .    1    .    2]" 1 
        81 1  8 SER QB   1 41 LEU MD1  1.800 . 5.000 2.801 2.082 5.002 0.002 15 0 "[    .    1    .    2]" 1 
        82 1  8 SER QB   1 41 LEU MD2  1.800 . 5.000 4.488 2.104 5.004 0.004  5 0 "[    .    1    .    2]" 1 
        83 1  8 SER H    1 23 VAL MG1  1.800 . 5.000 4.793 2.966 5.006 0.006  5 0 "[    .    1    .    2]" 1 
        84 1  8 SER H    1 23 VAL QG   1.800 . 5.000 2.676 2.262 2.935     .  0 0 "[    .    1    .    2]" 1 
        85 1  8 SER H    1 23 VAL H    1.800 . 4.000 3.053 2.793 3.300     .  0 0 "[    .    1    .    2]" 1 
        86 1  8 SER H    1 24 LYS HA   1.800 . 4.000 3.529 3.320 3.679     .  0 0 "[    .    1    .    2]" 1 
        87 1  8 SER H    1 41 LEU QD   1.800 . 5.000 4.418 3.938 5.005 0.005 18 0 "[    .    1    .    2]" 1 
        88 1  9 VAL HA   1 10 VAL H    1.800 . 2.900 2.177 2.127 2.250     .  0 0 "[    .    1    .    2]" 1 
        89 1  9 VAL HA   1 22 PRO HA   1.800 . 3.000 2.184 1.916 2.564     .  0 0 "[    .    1    .    2]" 1 
        90 1  9 VAL HA   1 23 VAL MG1  1.800 . 5.000 3.787 2.427 4.218     .  0 0 "[    .    1    .    2]" 1 
        91 1  9 VAL HA   1 23 VAL MG2  1.800 . 5.000 3.319 2.880 5.006 0.006 19 0 "[    .    1    .    2]" 1 
        92 1  9 VAL HA   1 23 VAL H    1.800 . 4.000 2.849 2.548 3.235     .  0 0 "[    .    1    .    2]" 1 
        93 1  9 VAL HB   1 10 VAL H    1.800 . 5.000 3.833 2.783 4.256     .  0 0 "[    .    1    .    2]" 1 
        94 1  9 VAL QG   1 10 VAL H    1.800 . 5.000 2.853 2.387 3.578     .  0 0 "[    .    1    .    2]" 1 
        95 1  9 VAL QG   1 22 PRO HA   1.800 . 5.000 2.458 1.891 3.131     .  0 0 "[    .    1    .    2]" 1 
        96 1  9 VAL QG   1 22 PRO QB   1.800 . 5.000 2.914 2.273 3.832     .  0 0 "[    .    1    .    2]" 1 
        97 1  9 VAL QG   1 22 PRO QG   1.800 . 5.000 3.719 2.285 4.595     .  0 0 "[    .    1    .    2]" 1 
        98 1  9 VAL H    1 10 VAL H    1.800 . 5.000 4.341 4.238 4.429     .  0 0 "[    .    1    .    2]" 1 
        99 1  9 VAL H    1 23 VAL QG   1.800 . 5.000 3.977 3.448 4.499     .  0 0 "[    .    1    .    2]" 1 
       100 1  9 VAL H    1 41 LEU QD   1.800 . 5.000 4.352 3.340 5.008 0.008 12 0 "[    .    1    .    2]" 1 
       101 1 10 VAL HA   1 11 ARG H    1.800 . 2.900 2.330 2.269 2.484     .  0 0 "[    .    1    .    2]" 1 
       102 1 10 VAL HA   1 23 VAL QG   1.800 . 5.000 4.235 3.717 4.852     .  0 0 "[    .    1    .    2]" 1 
       103 1 10 VAL HB   1 11 ARG H    1.800 . 5.000 3.741 2.168 4.073     .  0 0 "[    .    1    .    2]" 1 
       104 1 10 VAL HB   1 23 VAL QG   1.800 . 5.000 2.911 2.254 4.358     .  0 0 "[    .    1    .    2]" 1 
       105 1 10 VAL HB   1 41 LEU QB   1.800 . 5.000 3.362 2.412 4.363     .  0 0 "[    .    1    .    2]" 1 
       106 1 10 VAL HB   1 41 LEU MD1  1.800 . 5.000 3.400 2.002 5.005 0.005  8 0 "[    .    1    .    2]" 1 
       107 1 10 VAL HB   1 41 LEU MD2  1.800 . 5.000 3.115 2.148 4.686     .  0 0 "[    .    1    .    2]" 1 
       108 1 10 VAL MG1  1 23 VAL QG   1.800 . 5.000 2.090 1.911 2.759     .  0 0 "[    .    1    .    2]" 1 
       109 1 10 VAL MG1  1 41 LEU QB   1.800 . 5.000 4.106 1.799 5.010 0.010 15 0 "[    .    1    .    2]" 1 
       110 1 10 VAL MG2  1 23 VAL QG   1.800 . 5.000 3.305 2.002 3.785     .  0 0 "[    .    1    .    2]" 1 
       111 1 10 VAL MG2  1 41 LEU QB   1.800 . 5.000 2.903 1.971 4.483     .  0 0 "[    .    1    .    2]" 1 
       112 1 10 VAL QG   1 11 ARG H    1.800 . 5.000 2.194 1.882 3.190     .  0 0 "[    .    1    .    2]" 1 
       113 1 10 VAL QG   1 21 VAL HA   1.800 . 5.000 4.737 4.581 4.881     .  0 0 "[    .    1    .    2]" 1 
       114 1 10 VAL QG   1 21 VAL QG   1.800 . 5.000 2.000 1.892 2.152     .  0 0 "[    .    1    .    2]" 1 
       115 1 10 VAL QG   1 21 VAL H    1.800 . 5.000 3.103 2.927 3.370     .  0 0 "[    .    1    .    2]" 1 
       116 1 10 VAL QG   1 23 VAL HB   1.800 . 5.000 4.151 2.488 4.398     .  0 0 "[    .    1    .    2]" 1 
       117 1 10 VAL QG   1 23 VAL H    1.800 . 5.000 4.116 3.559 4.414     .  0 0 "[    .    1    .    2]" 1 
       118 1 10 VAL QG   1 41 LEU HA   1.800 . 5.000 3.300 2.477 3.846     .  0 0 "[    .    1    .    2]" 1 
       119 1 10 VAL QG   1 41 LEU QB   1.800 . 5.000 2.557 1.794 3.555 0.006 12 0 "[    .    1    .    2]" 1 
       120 1 10 VAL QG   1 42 SER HA   1.800 . 5.000 4.330 3.487 5.004 0.004 18 0 "[    .    1    .    2]" 1 
       121 1 10 VAL QG   1 44 LEU QB   1.800 . 5.000 2.980 1.793 4.165 0.007 11 0 "[    .    1    .    2]" 1 
       122 1 10 VAL QG   1 45 TYR HA   1.800 . 5.000 3.656 2.984 4.848     .  0 0 "[    .    1    .    2]" 1 
       123 1 10 VAL H    1 20 VAL HB   1.800 . 5.000 4.291 3.730 4.911     .  0 0 "[    .    1    .    2]" 1 
       124 1 10 VAL H    1 21 VAL QG   1.800 . 5.000 3.177 2.890 3.334     .  0 0 "[    .    1    .    2]" 1 
       125 1 10 VAL H    1 21 VAL H    1.800 . 4.000 3.038 2.844 3.369     .  0 0 "[    .    1    .    2]" 1 
       126 1 10 VAL H    1 22 PRO HA   1.800 . 4.000 3.673 3.379 3.958     .  0 0 "[    .    1    .    2]" 1 
       127 1 10 VAL H    1 23 VAL MG1  1.800 . 5.000 3.232 3.022 3.632     .  0 0 "[    .    1    .    2]" 1 
       128 1 10 VAL H    1 23 VAL MG2  1.800 . 5.000 3.511 3.204 4.854     .  0 0 "[    .    1    .    2]" 1 
       129 1 11 ARG HA   1 12 VAL H    1.800 . 2.900 2.142 2.073 2.228     .  0 0 "[    .    1    .    2]" 1 
       130 1 11 ARG HA   1 20 VAL HA   1.800 . 3.000 2.570 2.219 3.001 0.001 13 0 "[    .    1    .    2]" 1 
       131 1 11 ARG HA   1 20 VAL QG   1.800 . 5.000 2.260 1.796 3.073 0.004  1 0 "[    .    1    .    2]" 1 
       132 1 11 ARG HA   1 21 VAL H    1.800 . 4.000 3.882 3.646 4.006 0.006 18 0 "[    .    1    .    2]" 1 
       133 1 11 ARG QB   1 45 TYR HA   1.800 . 5.000 3.757 2.545 4.682     .  0 0 "[    .    1    .    2]" 1 
       134 1 11 ARG QB   1 45 TYR QB   1.800 . 5.000 4.442 3.779 5.005 0.005 18 0 "[    .    1    .    2]" 1 
       135 1 11 ARG QB   1 45 TYR QD   1.800 . 5.000 2.969 2.140 3.761     .  0 0 "[    .    1    .    2]" 1 
       136 1 11 ARG HD3  1 20 VAL QG   1.800 . 5.000 3.832 1.858 5.007 0.007  3 0 "[    .    1    .    2]" 1 
       137 1 11 ARG HD3  1 45 TYR QE   1.800 . 5.000 3.749 2.310 5.005 0.005 19 0 "[    .    1    .    2]" 1 
       138 1 11 ARG HD2  1 20 VAL QG   1.800 . 5.000 4.170 1.873 5.011 0.011 14 0 "[    .    1    .    2]" 1 
       139 1 11 ARG HD2  1 45 TYR QE   1.800 . 5.000 3.682 1.860 5.003 0.003 15 0 "[    .    1    .    2]" 1 
       140 1 11 ARG QG   1 12 VAL H    1.800 . 5.000 4.045 2.944 4.777     .  0 0 "[    .    1    .    2]" 1 
       141 1 11 ARG QG   1 20 VAL QG   1.800 . 5.000 2.741 2.032 3.951     .  0 0 "[    .    1    .    2]" 1 
       142 1 11 ARG H    1 12 VAL H    1.800 . 5.000 4.479 4.282 4.601     .  0 0 "[    .    1    .    2]" 1 
       143 1 11 ARG H    1 20 VAL QG   1.800 . 5.000 4.184 3.797 4.640     .  0 0 "[    .    1    .    2]" 1 
       144 1 12 VAL HA   1 13 ARG H    1.800 . 2.900 2.184 2.124 2.284     .  0 0 "[    .    1    .    2]" 1 
       145 1 12 VAL HA   1 46 VAL QG   1.800 . 5.000 3.221 2.196 4.890     .  0 0 "[    .    1    .    2]" 1 
       146 1 12 VAL HA   1 46 VAL H    1.800 . 4.000 3.345 2.583 4.005 0.005  9 0 "[    .    1    .    2]" 1 
       147 1 12 VAL HB   1 20 VAL HA   1.800 . 5.000 3.794 2.360 4.367     .  0 0 "[    .    1    .    2]" 1 
       148 1 12 VAL HB   1 20 VAL H    1.800 . 5.000 4.419 3.582 4.939     .  0 0 "[    .    1    .    2]" 1 
       149 1 12 VAL HB   1 21 VAL QG   1.800 . 5.000 3.737 1.867 4.391     .  0 0 "[    .    1    .    2]" 1 
       150 1 12 VAL MG1  1 13 ARG H    1.800 . 5.000 2.773 2.194 3.996     .  0 0 "[    .    1    .    2]" 1 
       151 1 12 VAL MG1  1 19 ASN HA   1.800 . 5.000 4.104 2.657 4.997     .  0 0 "[    .    1    .    2]" 1 
       152 1 12 VAL MG1  1 20 VAL HA   1.800 . 5.000 4.359 2.170 5.008 0.008 18 0 "[    .    1    .    2]" 1 
       153 1 12 VAL MG1  1 21 VAL HB   1.800 . 5.000 3.752 2.406 5.023 0.023  5 0 "[    .    1    .    2]" 1 
       154 1 12 VAL MG1  1 21 VAL H    1.800 . 5.000 4.698 3.163 5.013 0.013  6 0 "[    .    1    .    2]" 1 
       155 1 12 VAL MG1  1 47 GLY QA   1.800 . 5.000 2.927 1.796 5.011 0.011 14 0 "[    .    1    .    2]" 1 
       156 1 12 VAL MG1  1 73 LEU HG   1.800 . 5.000 4.464 2.806 5.013 0.013 16 0 "[    .    1    .    2]" 1 
       157 1 12 VAL MG2  1 13 ARG H    1.800 . 5.000 3.768 2.248 4.233     .  0 0 "[    .    1    .    2]" 1 
       158 1 12 VAL MG2  1 19 ASN HA   1.800 . 5.000 4.322 3.434 5.014 0.014 10 0 "[    .    1    .    2]" 1 
       159 1 12 VAL MG2  1 20 VAL HA   1.800 . 5.000 2.739 2.028 5.001 0.001 14 0 "[    .    1    .    2]" 1 
       160 1 12 VAL MG2  1 20 VAL H    1.800 . 5.000 3.979 3.177 5.023 0.023 10 0 "[    .    1    .    2]" 1 
       161 1 12 VAL MG2  1 21 VAL H    1.800 . 5.000 2.916 2.306 5.005 0.005 14 0 "[    .    1    .    2]" 1 
       162 1 12 VAL MG2  1 47 GLY QA   1.800 . 5.000 4.161 1.798 5.020 0.020  5 0 "[    .    1    .    2]" 1 
       163 1 12 VAL MG2  1 73 LEU HG   1.800 . 5.000 4.355 3.240 5.008 0.008 20 0 "[    .    1    .    2]" 1 
       164 1 12 VAL QG   1 19 ASN QB   1.800 . 5.000 4.479 4.002 5.008 0.008  1 0 "[    .    1    .    2]" 1 
       165 1 12 VAL QG   1 19 ASN H    1.800 . 5.000 4.368 3.234 5.006 0.006 17 0 "[    .    1    .    2]" 1 
       166 1 12 VAL QG   1 20 VAL H    1.800 . 5.000 3.420 2.374 4.010     .  0 0 "[    .    1    .    2]" 1 
       167 1 12 VAL QG   1 21 VAL HA   1.800 . 5.000 3.803 3.521 4.229     .  0 0 "[    .    1    .    2]" 1 
       168 1 12 VAL QG   1 21 VAL HB   1.800 . 5.000 2.342 1.807 3.670     .  0 0 "[    .    1    .    2]" 1 
       169 1 12 VAL QG   1 46 VAL H    1.800 . 5.000 4.077 3.457 4.759     .  0 0 "[    .    1    .    2]" 1 
       170 1 12 VAL QG   1 47 GLY H    1.800 . 5.000 4.305 3.841 4.800     .  0 0 "[    .    1    .    2]" 1 
       171 1 12 VAL QG   1 48 VAL H    1.800 . 5.000 3.405 2.383 4.469     .  0 0 "[    .    1    .    2]" 1 
       172 1 12 VAL QG   1 73 LEU QB   1.800 . 5.000 3.955 3.501 4.425     .  0 0 "[    .    1    .    2]" 1 
       173 1 12 VAL QG   1 73 LEU MD1  1.800 . 5.000 2.838 1.797 3.743 0.003 14 0 "[    .    1    .    2]" 1 
       174 1 12 VAL QG   1 73 LEU MD2  1.800 . 5.000 2.797 1.853 4.053     .  0 0 "[    .    1    .    2]" 1 
       175 1 12 VAL H    1 13 ARG H    1.800 . 5.000 4.463 4.238 4.553     .  0 0 "[    .    1    .    2]" 1 
       176 1 12 VAL H    1 20 VAL HA   1.800 . 4.000 2.533 1.940 2.824     .  0 0 "[    .    1    .    2]" 1 
       177 1 12 VAL H    1 20 VAL QG   1.800 . 5.000 3.335 2.662 3.881     .  0 0 "[    .    1    .    2]" 1 
       178 1 13 ARG QB   1 45 TYR QB   1.800 . 5.000 2.929 1.793 4.483 0.007  5 0 "[    .    1    .    2]" 1 
       179 1 13 ARG QB   1 45 TYR QD   1.800 . 5.000 3.485 1.798 5.008 0.008  7 0 "[    .    1    .    2]" 1 
       180 1 13 ARG QB   1 46 VAL H    1.800 . 5.000 4.406 3.096 5.005 0.005  2 0 "[    .    1    .    2]" 1 
       181 1 13 ARG HD3  1 45 TYR QD   1.800 . 5.000 3.867 2.714 5.006 0.006  2 0 "[    .    1    .    2]" 1 
       182 1 13 ARG HD2  1 45 TYR QD   1.800 . 5.000 4.300 2.214 5.006 0.006  9 0 "[    .    1    .    2]" 1 
       183 1 13 ARG QG   1 14 GLY H    1.800 . 5.000 3.020 1.795 4.042 0.005 14 0 "[    .    1    .    2]" 1 
       184 1 13 ARG QG   1 45 TYR QB   1.800 . 5.000 3.523 1.858 4.998     .  0 0 "[    .    1    .    2]" 1 
       185 1 13 ARG H    1 45 TYR QB   1.800 . 5.000 4.345 3.169 5.000 0.000 10 0 "[    .    1    .    2]" 1 
       186 1 13 ARG H    1 46 VAL H    1.800 . 4.000 3.841 3.416 4.005 0.005 18 0 "[    .    1    .    2]" 1 
       187 1 13 ARG H    1 47 GLY HA3  1.800 . 5.000 3.506 2.487 4.148     .  0 0 "[    .    1    .    2]" 1 
       188 1 13 ARG H    1 47 GLY HA2  1.800 . 5.000 2.791 2.232 4.983     .  0 0 "[    .    1    .    2]" 1 
       189 1 13 ARG H    1 48 VAL H    1.800 . 5.000 4.669 4.004 5.017 0.017  3 0 "[    .    1    .    2]" 1 
       190 1 14 GLY H    1 15 SER H    1.800 . 5.000 4.376 3.661 4.563     .  0 0 "[    .    1    .    2]" 1 
       191 1 14 GLY H    1 16 LYS QD   1.800 . 5.000 4.698 3.660 5.021 0.021  2 0 "[    .    1    .    2]" 1 
       192 1 16 LYS QB   1 49 PRO HA   1.800 . 5.000 3.881 2.927 5.001 0.001  6 0 "[    .    1    .    2]" 1 
       193 1 16 LYS QB   1 49 PRO HD3  1.800 . 5.000 3.494 1.967 4.748     .  0 0 "[    .    1    .    2]" 1 
       194 1 16 LYS QB   1 49 PRO HD2  1.800 . 5.000 4.548 3.435 5.008 0.008 13 0 "[    .    1    .    2]" 1 
       195 1 16 LYS QB   1 75 LYS HA   1.800 . 5.000 3.545 2.243 5.006 0.006 19 0 "[    .    1    .    2]" 1 
       196 1 16 LYS QD   1 18 TYR HA   1.800 . 5.000 4.333 3.879 5.023 0.023 16 0 "[    .    1    .    2]" 1 
       197 1 16 LYS QE   1 18 TYR HA   1.800 . 5.000 4.869 4.358 5.020 0.020 12 0 "[    .    1    .    2]" 1 
       198 1 16 LYS QG   1 17 LYS H    1.800 . 5.000 3.923 2.562 4.490     .  0 0 "[    .    1    .    2]" 1 
       199 1 16 LYS QG   1 49 PRO HD3  1.800 . 5.000 3.545 2.896 4.105     .  0 0 "[    .    1    .    2]" 1 
       200 1 16 LYS QG   1 49 PRO HD2  1.800 . 5.000 4.772 4.034 5.010 0.010 11 0 "[    .    1    .    2]" 1 
       201 1 16 LYS QG   1 73 LEU MD1  1.800 . 5.000 4.224 3.037 5.012 0.012  3 0 "[    .    1    .    2]" 1 
       202 1 16 LYS QG   1 73 LEU MD2  1.800 . 5.000 3.828 2.029 5.005 0.005  3 0 "[    .    1    .    2]" 1 
       203 1 16 LYS H    1 17 LYS H    1.800 . 5.000 4.182 2.330 4.589     .  0 0 "[    .    1    .    2]" 1 
       204 1 17 LYS QG   1 18 TYR H    1.800 . 5.000 3.987 2.175 4.557     .  0 0 "[    .    1    .    2]" 1 
       205 1 17 LYS H    1 18 TYR H    1.800 . 5.000 2.866 1.993 3.976     .  0 0 "[    .    1    .    2]" 1 
       206 1 18 TYR QE   1 71 LYS QE   1.800 . 5.000 3.086 2.376 4.961     .  0 0 "[    .    1    .    2]" 1 
       207 1 18 TYR QE   1 74 PRO QD   1.800 . 5.000 2.575 1.798 4.971 0.002 15 0 "[    .    1    .    2]" 1 
       208 1 19 ASN HA   1 20 VAL H    1.800 . 3.500 3.379 3.133 3.523 0.023 16 0 "[    .    1    .    2]" 1 
       209 1 19 ASN H    1 20 VAL H    1.800 . 5.000 2.201 1.791 2.826 0.009 15 0 "[    .    1    .    2]" 1 
       210 1 20 VAL HA   1 21 VAL H    1.800 . 2.900 2.252 2.160 2.414     .  0 0 "[    .    1    .    2]" 1 
       211 1 20 VAL HB   1 21 VAL H    1.800 . 5.000 2.875 2.396 3.337     .  0 0 "[    .    1    .    2]" 1 
       212 1 20 VAL QG   1 21 VAL H    1.800 . 5.000 3.364 3.165 3.510     .  0 0 "[    .    1    .    2]" 1 
       213 1 20 VAL H    1 21 VAL H    1.800 . 5.000 4.347 4.168 4.466     .  0 0 "[    .    1    .    2]" 1 
       214 1 21 VAL HA   1 22 PRO HD3  1.800 . 4.000 2.211 1.798 2.444 0.002 12 0 "[    .    1    .    2]" 1 
       215 1 21 VAL HA   1 22 PRO HD2  1.800 . 4.000 2.246 1.951 2.658     .  0 0 "[    .    1    .    2]" 1 
       216 1 21 VAL HA   1 73 LEU QD   1.800 . 5.000 3.651 2.858 4.556     .  0 0 "[    .    1    .    2]" 1 
       217 1 21 VAL HB   1 73 LEU MD1  1.800 . 5.000 2.645 1.800 3.825     .  0 0 "[    .    1    .    2]" 1 
       218 1 21 VAL HB   1 73 LEU MD2  1.800 . 5.000 2.915 2.013 4.282     .  0 0 "[    .    1    .    2]" 1 
       219 1 21 VAL HB   1 73 LEU HG   1.800 . 5.000 4.079 3.168 4.716     .  0 0 "[    .    1    .    2]" 1 
       220 1 21 VAL MG1  1 23 VAL QG   1.800 . 5.000 2.572 2.004 4.814     .  0 0 "[    .    1    .    2]" 1 
       221 1 21 VAL MG1  1 73 LEU MD1  1.800 . 5.000 3.165 1.852 4.234     .  0 0 "[    .    1    .    2]" 1 
       222 1 21 VAL MG1  1 73 LEU MD2  1.800 . 5.000 3.493 2.037 4.490     .  0 0 "[    .    1    .    2]" 1 
       223 1 21 VAL MG2  1 23 VAL QG   1.800 . 5.000 3.334 2.668 4.874     .  0 0 "[    .    1    .    2]" 1 
       224 1 21 VAL QG   1 69 CYS QB   1.800 . 5.000 2.403 1.793 3.190 0.007  8 0 "[    .    1    .    2]" 1 
       225 1 21 VAL QG   1 70 THR H    1.800 . 5.000 3.710 2.976 4.880     .  0 0 "[    .    1    .    2]" 1 
       226 1 21 VAL QG   1 71 LYS QB   1.800 . 5.000 1.946 1.786 2.754 0.014  8 0 "[    .    1    .    2]" 1 
       227 1 21 VAL QG   1 71 LYS QG   1.800 . 5.000 3.045 2.266 3.679     .  0 0 "[    .    1    .    2]" 1 
       228 1 21 VAL QG   1 71 LYS H    1.800 . 5.000 3.063 2.586 4.269     .  0 0 "[    .    1    .    2]" 1 
       229 1 21 VAL QG   1 73 LEU MD1  1.800 . 5.000 2.208 1.800 2.869     .  0 0 "[    .    1    .    2]" 1 
       230 1 21 VAL QG   1 73 LEU MD2  1.800 . 5.000 2.431 1.903 3.401     .  0 0 "[    .    1    .    2]" 1 
       231 1 21 VAL QG   1 73 LEU HG   1.800 . 5.000 3.215 2.465 4.662     .  0 0 "[    .    1    .    2]" 1 
       232 1 22 PRO HA   1 23 VAL H    1.800 . 2.900 2.133 2.109 2.181     .  0 0 "[    .    1    .    2]" 1 
       233 1 22 PRO QB   1 70 THR MG   1.800 . 5.000 3.149 2.580 3.780     .  0 0 "[    .    1    .    2]" 1 
       234 1 22 PRO HD3  1 71 LYS QB   1.800 . 5.000 3.569 3.033 4.677     .  0 0 "[    .    1    .    2]" 1 
       235 1 22 PRO HD3  1 71 LYS QD   1.800 . 5.000 3.277 2.173 4.907     .  0 0 "[    .    1    .    2]" 1 
       236 1 22 PRO HD2  1 71 LYS QB   1.800 . 5.000 2.195 1.790 3.156 0.010 14 0 "[    .    1    .    2]" 1 
       237 1 22 PRO HD2  1 71 LYS QD   1.800 . 5.000 2.788 1.964 4.078     .  0 0 "[    .    1    .    2]" 1 
       238 1 22 PRO QD   1 70 THR H    1.800 . 5.000 4.741 4.166 5.006 0.006 19 0 "[    .    1    .    2]" 1 
       239 1 22 PRO QD   1 71 LYS HG3  1.800 . 5.000 3.729 1.839 4.719     .  0 0 "[    .    1    .    2]" 1 
       240 1 22 PRO QD   1 71 LYS HG2  1.800 . 5.000 3.473 2.473 4.258     .  0 0 "[    .    1    .    2]" 1 
       241 1 22 PRO HG3  1 70 THR MG   1.800 . 5.000 4.448 3.782 5.006 0.006 14 0 "[    .    1    .    2]" 1 
       242 1 22 PRO HG3  1 71 LYS QB   1.800 . 5.000 3.510 2.824 4.983     .  0 0 "[    .    1    .    2]" 1 
       243 1 22 PRO HG2  1 70 THR MG   1.800 . 5.000 3.309 2.703 3.921     .  0 0 "[    .    1    .    2]" 1 
       244 1 22 PRO HG2  1 71 LYS QB   1.800 . 5.000 2.485 1.904 4.086     .  0 0 "[    .    1    .    2]" 1 
       245 1 22 PRO QG   1 23 VAL H    1.800 . 5.000 4.687 4.445 4.946     .  0 0 "[    .    1    .    2]" 1 
       246 1 22 PRO QG   1 71 LYS H    1.800 . 5.000 3.974 3.361 4.982     .  0 0 "[    .    1    .    2]" 1 
       247 1 23 VAL HA   1 24 LYS H    1.800 . 2.900 2.353 2.215 2.450     .  0 0 "[    .    1    .    2]" 1 
       248 1 23 VAL HA   1 56 VAL QG   1.800 . 5.000 4.724 4.046 5.005 0.005  2 0 "[    .    1    .    2]" 1 
       249 1 23 VAL HA   1 67 ILE MG   1.800 . 5.000 4.255 3.842 4.627     .  0 0 "[    .    1    .    2]" 1 
       250 1 23 VAL HA   1 69 CYS HA   1.800 . 3.000 2.002 1.823 2.234     .  0 0 "[    .    1    .    2]" 1 
       251 1 23 VAL HA   1 70 THR MG   1.800 . 5.000 3.700 3.095 4.132     .  0 0 "[    .    1    .    2]" 1 
       252 1 23 VAL HA   1 70 THR H    1.800 . 4.000 3.207 2.854 3.595     .  0 0 "[    .    1    .    2]" 1 
       253 1 23 VAL HB   1 24 LYS H    1.800 . 5.000 2.605 2.307 4.063     .  0 0 "[    .    1    .    2]" 1 
       254 1 23 VAL HB   1 41 LEU QD   1.800 . 5.000 3.970 3.534 4.417     .  0 0 "[    .    1    .    2]" 1 
       255 1 23 VAL HB   1 67 ILE MG   1.800 . 5.000 2.410 2.059 4.265     .  0 0 "[    .    1    .    2]" 1 
       256 1 23 VAL HB   1 69 CYS HA   1.800 . 5.000 3.562 3.213 4.024     .  0 0 "[    .    1    .    2]" 1 
       257 1 23 VAL MG1  1 24 LYS H    1.800 . 5.000 3.700 3.578 3.821     .  0 0 "[    .    1    .    2]" 1 
       258 1 23 VAL MG1  1 69 CYS HA   1.800 . 5.000 2.594 1.919 4.697     .  0 0 "[    .    1    .    2]" 1 
       259 1 23 VAL MG2  1 69 CYS HA   1.800 . 5.000 4.459 2.591 4.941     .  0 0 "[    .    1    .    2]" 1 
       260 1 23 VAL MG2  1 69 CYS QB   1.800 . 5.000 4.751 2.634 5.011 0.011 14 0 "[    .    1    .    2]" 1 
       261 1 23 VAL QG   1 24 LYS H    1.800 . 5.000 3.147 2.180 3.409     .  0 0 "[    .    1    .    2]" 1 
       262 1 23 VAL QG   1 41 LEU QB   1.800 . 5.000 3.930 3.379 4.607     .  0 0 "[    .    1    .    2]" 1 
       263 1 23 VAL QG   1 41 LEU MD1  1.800 . 5.000 2.395 1.960 3.260     .  0 0 "[    .    1    .    2]" 1 
       264 1 23 VAL QG   1 41 LEU MD2  1.800 . 5.000 2.736 1.819 3.201     .  0 0 "[    .    1    .    2]" 1 
       265 1 23 VAL QG   1 56 VAL QG   1.800 . 5.000 2.511 1.861 2.976     .  0 0 "[    .    1    .    2]" 1 
       266 1 23 VAL QG   1 67 ILE MD   1.800 . 5.000 3.820 3.564 4.115     .  0 0 "[    .    1    .    2]" 1 
       267 1 23 VAL QG   1 67 ILE MG   1.800 . 5.000 2.414 1.964 2.801     .  0 0 "[    .    1    .    2]" 1 
       268 1 23 VAL QG   1 69 CYS QB   1.800 . 5.000 2.347 1.797 2.670 0.003 17 0 "[    .    1    .    2]" 1 
       269 1 23 VAL H    1 70 THR MG   1.800 . 5.000 4.959 4.543 5.011 0.011 15 0 "[    .    1    .    2]" 1 
       270 1 24 LYS HA   1 25 SER H    1.800 . 2.900 2.499 2.380 2.590     .  0 0 "[    .    1    .    2]" 1 
       271 1 24 LYS QD   1 70 THR HA   1.800 . 5.000 4.721 4.177 5.008 0.008  7 0 "[    .    1    .    2]" 1 
       272 1 24 LYS QD   1 70 THR HB   1.800 . 5.000 2.665 2.107 3.074     .  0 0 "[    .    1    .    2]" 1 
       273 1 24 LYS QE   1 68 ILE MD   1.800 . 5.000 3.750 2.427 4.867     .  0 0 "[    .    1    .    2]" 1 
       274 1 24 LYS QE   1 70 THR MG   1.800 . 5.000 3.428 1.802 4.790     .  0 0 "[    .    1    .    2]" 1 
       275 1 24 LYS QG   1 25 SER H    1.800 . 5.000 3.467 3.047 4.005     .  0 0 "[    .    1    .    2]" 1 
       276 1 24 LYS QG   1 69 CYS HA   1.800 . 5.000 3.860 3.420 4.266     .  0 0 "[    .    1    .    2]" 1 
       277 1 24 LYS H    1 67 ILE MD   1.800 . 5.000 4.736 4.440 5.003 0.003  1 0 "[    .    1    .    2]" 1 
       278 1 24 LYS H    1 67 ILE MG   1.800 . 5.000 3.416 3.090 3.794     .  0 0 "[    .    1    .    2]" 1 
       279 1 24 LYS H    1 68 ILE QG   1.800 . 5.000 3.263 3.061 3.580     .  0 0 "[    .    1    .    2]" 1 
       280 1 24 LYS H    1 68 ILE H    1.800 . 4.000 3.158 2.878 3.557     .  0 0 "[    .    1    .    2]" 1 
       281 1 24 LYS H    1 69 CYS HA   1.800 . 4.000 3.311 2.945 3.471     .  0 0 "[    .    1    .    2]" 1 
       282 1 24 LYS H    1 70 THR MG   1.800 . 5.000 4.454 3.923 4.858     .  0 0 "[    .    1    .    2]" 1 
       283 1 25 SER HA   1 29 VAL QG   1.800 . 5.000 4.636 4.260 5.007 0.007 13 0 "[    .    1    .    2]" 1 
       284 1 25 SER HA   1 65 VAL MG1  1.800 . 5.000 3.184 2.729 5.005 0.005 11 0 "[    .    1    .    2]" 1 
       285 1 25 SER HA   1 65 VAL MG2  1.800 . 5.000 4.871 3.513 5.021 0.021 12 0 "[    .    1    .    2]" 1 
       286 1 25 SER HA   1 67 ILE HA   1.800 . 3.000 2.751 2.539 2.980     .  0 0 "[    .    1    .    2]" 1 
       287 1 25 SER HA   1 67 ILE MD   1.800 . 5.000 2.606 2.444 2.777     .  0 0 "[    .    1    .    2]" 1 
       288 1 25 SER HA   1 67 ILE MG   1.800 . 5.000 3.994 3.511 4.253     .  0 0 "[    .    1    .    2]" 1 
       289 1 25 SER HA   1 68 ILE H    1.800 . 4.000 3.326 3.027 3.627     .  0 0 "[    .    1    .    2]" 1 
       290 1 25 SER QB   1 29 VAL MG1  1.800 . 5.000 3.700 2.534 4.765     .  0 0 "[    .    1    .    2]" 1 
       291 1 25 SER QB   1 29 VAL MG2  1.800 . 5.000 3.038 2.269 4.459     .  0 0 "[    .    1    .    2]" 1 
       292 1 25 SER QB   1 65 VAL MG1  1.800 . 5.000 2.266 1.796 3.940 0.004 19 0 "[    .    1    .    2]" 1 
       293 1 25 SER QB   1 65 VAL MG2  1.800 . 5.000 3.320 2.491 4.301     .  0 0 "[    .    1    .    2]" 1 
       294 1 25 SER QB   1 67 ILE MD   1.800 . 5.000 2.849 2.241 3.361     .  0 0 "[    .    1    .    2]" 1 
       295 1 25 SER H    1 67 ILE MD   1.800 . 5.000 4.324 4.138 4.556     .  0 0 "[    .    1    .    2]" 1 
       296 1 26 ASN HA   1 68 ILE MD   1.800 . 5.000 3.185 2.411 3.997     .  0 0 "[    .    1    .    2]" 1 
       297 1 26 ASN QB   1 68 ILE MD   1.800 . 5.000 2.610 2.018 3.486     .  0 0 "[    .    1    .    2]" 1 
       298 1 26 ASN QB   1 68 ILE MG   1.800 . 5.000 3.266 2.863 3.745     .  0 0 "[    .    1    .    2]" 1 
       299 1 26 ASN HD21 1 65 VAL HA   1.800 . 5.000 4.647 3.396 5.013 0.013  3 0 "[    .    1    .    2]" 1 
       300 1 26 ASN HD21 1 66 ASP H    1.800 . 5.000 3.472 2.604 4.180     .  0 0 "[    .    1    .    2]" 1 
       301 1 26 ASN HD22 1 65 VAL HA   1.800 . 5.000 3.865 3.311 5.019 0.019 19 0 "[    .    1    .    2]" 1 
       302 1 26 ASN HD22 1 66 ASP H    1.800 . 5.000 2.936 1.860 4.570     .  0 0 "[    .    1    .    2]" 1 
       303 1 26 ASN QD   1 66 ASP QB   1.800 . 5.000 2.826 1.886 4.600     .  0 0 "[    .    1    .    2]" 1 
       304 1 26 ASN H    1 27 LYS H    1.800 . 3.500 2.537 2.287 2.853     .  0 0 "[    .    1    .    2]" 1 
       305 1 26 ASN H    1 65 VAL MG1  1.800 . 5.000 3.082 2.304 5.002 0.002 13 0 "[    .    1    .    2]" 1 
       306 1 26 ASN H    1 65 VAL MG2  1.800 . 5.000 4.562 3.013 5.018 0.018 11 0 "[    .    1    .    2]" 1 
       307 1 26 ASN H    1 67 ILE HA   1.800 . 4.000 3.833 3.467 4.011 0.011  2 0 "[    .    1    .    2]" 1 
       308 1 26 ASN H    1 67 ILE MD   1.800 . 5.000 3.930 3.511 4.360     .  0 0 "[    .    1    .    2]" 1 
       309 1 26 ASN H    1 68 ILE MD   1.800 . 5.000 3.947 3.423 4.410     .  0 0 "[    .    1    .    2]" 1 
       310 1 27 LYS HA   1 28 PRO HD3  1.800 . 4.000 2.112 1.854 2.514     .  0 0 "[    .    1    .    2]" 1 
       311 1 27 LYS HA   1 28 PRO HD2  1.800 . 4.000 2.544 2.078 2.992     .  0 0 "[    .    1    .    2]" 1 
       312 1 27 LYS QB   1 29 VAL QG   1.800 . 5.000 4.015 3.256 4.848     .  0 0 "[    .    1    .    2]" 1 
       313 1 27 LYS QB   1 65 VAL MG1  1.800 . 5.000 3.131 1.920 5.001 0.001 13 0 "[    .    1    .    2]" 1 
       314 1 27 LYS QB   1 65 VAL MG2  1.800 . 5.000 2.011 1.791 4.333 0.009  2 0 "[    .    1    .    2]" 1 
       315 1 27 LYS QE   1 65 VAL HA   1.800 . 5.000 3.074 1.794 3.853 0.006 11 0 "[    .    1    .    2]" 1 
       316 1 27 LYS QE   1 65 VAL MG1  1.800 . 5.000 4.292 2.967 5.001 0.001  7 0 "[    .    1    .    2]" 1 
       317 1 27 LYS QE   1 65 VAL QG   1.800 . 5.000 3.144 1.802 4.289     .  0 0 "[    .    1    .    2]" 1 
       318 1 27 LYS QE   1 66 ASP H    1.800 . 5.000 3.949 2.649 4.998     .  0 0 "[    .    1    .    2]" 1 
       319 1 27 LYS H    1 29 VAL QG   1.800 . 5.000 4.321 4.011 5.008 0.008 19 0 "[    .    1    .    2]" 1 
       320 1 27 LYS H    1 65 VAL QG   1.800 . 5.000 2.398 1.796 3.184 0.004 20 0 "[    .    1    .    2]" 1 
       321 1 27 LYS H    1 65 VAL MG2  1.800 . 5.000 3.298 2.560 4.783     .  0 0 "[    .    1    .    2]" 1 
       322 1 27 LYS H    1 67 ILE MD   1.800 . 5.000 4.983 4.806 5.009 0.009 11 0 "[    .    1    .    2]" 1 
       323 1 29 VAL HB   1 65 VAL QG   1.800 . 5.000 4.137 2.066 5.001 0.001  2 0 "[    .    1    .    2]" 1 
       324 1 29 VAL MG1  1 30 GLU H    1.800 . 5.000 3.014 1.876 3.793     .  0 0 "[    .    1    .    2]" 1 
       325 1 29 VAL MG1  1 33 LYS QB   1.800 . 5.000 3.487 1.896 4.979     .  0 0 "[    .    1    .    2]" 1 
       326 1 29 VAL MG1  1 37 PHE QD   1.800 . 5.000 3.622 2.276 5.004 0.004 18 0 "[    .    1    .    2]" 1 
       327 1 29 VAL MG1  1 37 PHE QE   1.800 . 5.000 2.818 1.795 3.836 0.005 11 0 "[    .    1    .    2]" 1 
       328 1 29 VAL MG1  1 37 PHE HZ   1.800 . 5.000 3.293 2.187 4.855     .  0 0 "[    .    1    .    2]" 1 
       329 1 29 VAL MG2  1 30 GLU H    1.800 . 5.000 3.589 2.005 4.243     .  0 0 "[    .    1    .    2]" 1 
       330 1 29 VAL MG2  1 33 LYS QB   1.800 . 5.000 4.183 2.602 5.004 0.004  2 0 "[    .    1    .    2]" 1 
       331 1 29 VAL MG2  1 37 PHE QD   1.800 . 5.000 3.690 3.028 4.394     .  0 0 "[    .    1    .    2]" 1 
       332 1 29 VAL MG2  1 37 PHE QE   1.800 . 5.000 2.972 1.796 4.194 0.004 13 0 "[    .    1    .    2]" 1 
       333 1 29 VAL MG2  1 37 PHE HZ   1.800 . 5.000 3.992 2.421 5.001 0.001 12 0 "[    .    1    .    2]" 1 
       334 1 29 VAL QG   1 33 LYS QE   1.800 . 5.000 4.590 3.312 5.010 0.010 18 0 "[    .    1    .    2]" 1 
       335 1 29 VAL QG   1 60 ILE MG   1.800 . 5.000 4.334 3.928 4.982     .  0 0 "[    .    1    .    2]" 1 
       336 1 29 VAL QG   1 67 ILE MD   1.800 . 5.000 3.633 3.208 3.951     .  0 0 "[    .    1    .    2]" 1 
       337 1 29 VAL H    1 30 GLU H    1.800 . 5.000 4.471 4.410 4.542     .  0 0 "[    .    1    .    2]" 1 
       338 1 30 GLU QB   1 33 LYS QG   1.800 . 5.000 3.311 1.897 5.001 0.001 18 0 "[    .    1    .    2]" 1 
       339 1 30 GLU QG   1 31 ILE H    1.800 . 5.000 3.980 2.668 4.605     .  0 0 "[    .    1    .    2]" 1 
       340 1 31 ILE HA   1 33 LYS H    1.800 . 5.000 3.631 3.147 4.005     .  0 0 "[    .    1    .    2]" 1 
       341 1 31 ILE MD   1 32 SER H    1.800 . 5.000 4.531 3.281 5.031 0.031 18 0 "[    .    1    .    2]" 1 
       342 1 31 ILE QG   1 32 SER H    1.800 . 5.000 3.318 2.356 4.113     .  0 0 "[    .    1    .    2]" 1 
       343 1 31 ILE MG   1 32 SER H    1.800 . 5.000 3.696 2.370 4.352     .  0 0 "[    .    1    .    2]" 1 
       344 1 32 SER H    1 33 LYS H    1.800 . 3.500 2.460 1.778 3.186 0.022 10 0 "[    .    1    .    2]" 1 
       345 1 33 LYS HA   1 36 ASP QB   1.800 . 5.000 3.137 2.044 3.855     .  0 0 "[    .    1    .    2]" 1 
       346 1 33 LYS HA   1 36 ASP H    1.800 . 4.000 3.207 2.506 3.598     .  0 0 "[    .    1    .    2]" 1 
       347 1 33 LYS HA   1 37 PHE H    1.800 . 5.000 4.402 3.670 5.003 0.003 16 0 "[    .    1    .    2]" 1 
       348 1 33 LYS QB   1 34 TRP H    1.800 . 4.000 3.406 2.981 3.646     .  0 0 "[    .    1    .    2]" 1 
       349 1 33 LYS QB   1 36 ASP QB   1.800 . 5.000 3.250 2.350 4.619     .  0 0 "[    .    1    .    2]" 1 
       350 1 33 LYS QD   1 37 PHE QE   1.800 . 5.000 3.250 1.843 4.587     .  0 0 "[    .    1    .    2]" 1 
       351 1 33 LYS QE   1 63 THR MG   1.800 . 5.000 3.670 2.045 5.004 0.004 16 0 "[    .    1    .    2]" 1 
       352 1 33 LYS QG   1 34 TRP H    1.800 . 5.000 4.448 4.102 4.791     .  0 0 "[    .    1    .    2]" 1 
       353 1 33 LYS H    1 34 TRP H    1.800 . 3.500 2.410 2.136 2.577     .  0 0 "[    .    1    .    2]" 1 
       354 1 33 LYS H    1 35 ILE H    1.800 . 5.000 4.670 3.996 5.009 0.009 10 0 "[    .    1    .    2]" 1 
       355 1 34 TRP HA   1 36 ASP H    1.800 . 5.000 4.424 4.124 4.754     .  0 0 "[    .    1    .    2]" 1 
       356 1 34 TRP HA   1 37 PHE QB   1.800 . 5.000 2.902 2.291 3.474     .  0 0 "[    .    1    .    2]" 1 
       357 1 34 TRP HA   1 37 PHE QD   1.800 . 5.000 3.612 1.830 4.551     .  0 0 "[    .    1    .    2]" 1 
       358 1 34 TRP HA   1 37 PHE H    1.800 . 4.000 3.672 3.144 3.993     .  0 0 "[    .    1    .    2]" 1 
       359 1 34 TRP HA   1 38 SER H    1.800 . 5.000 4.078 3.644 4.563     .  0 0 "[    .    1    .    2]" 1 
       360 1 34 TRP QB   1 35 ILE H    1.800 . 4.000 2.852 2.333 3.646     .  0 0 "[    .    1    .    2]" 1 
       361 1 34 TRP H    1 35 ILE H    1.800 . 5.000 2.716 2.552 2.893     .  0 0 "[    .    1    .    2]" 1 
       362 1 35 ILE HA   1 38 SER QB   1.800 . 5.000 3.232 2.428 4.210     .  0 0 "[    .    1    .    2]" 1 
       363 1 35 ILE HA   1 38 SER H    1.800 . 4.000 3.652 3.359 3.933     .  0 0 "[    .    1    .    2]" 1 
       364 1 35 ILE HA   1 39 ASN H    1.800 . 5.000 4.155 3.952 4.377     .  0 0 "[    .    1    .    2]" 1 
       365 1 35 ILE HB   1 36 ASP H    1.800 . 4.000 3.081 2.319 4.010 0.010  9 0 "[    .    1    .    2]" 1 
       366 1 35 ILE MD   1 36 ASP H    1.800 . 5.000 4.385 3.745 4.804     .  0 0 "[    .    1    .    2]" 1 
       367 1 35 ILE QG   1 36 ASP H    1.800 . 5.000 3.601 1.989 4.606     .  0 0 "[    .    1    .    2]" 1 
       368 1 35 ILE MG   1 36 ASP H    1.800 . 5.000 3.206 1.848 4.107     .  0 0 "[    .    1    .    2]" 1 
       369 1 35 ILE MG   1 39 ASN QD   1.800 . 5.000 3.409 2.000 5.007 0.007  4 0 "[    .    1    .    2]" 1 
       370 1 35 ILE H    1 36 ASP H    1.800 . 5.000 2.625 2.410 2.893     .  0 0 "[    .    1    .    2]" 1 
       371 1 35 ILE H    1 37 PHE H    1.800 . 5.000 4.237 3.972 4.502     .  0 0 "[    .    1    .    2]" 1 
       372 1 36 ASP HA   1 38 SER H    1.800 . 5.000 4.527 4.318 4.792     .  0 0 "[    .    1    .    2]" 1 
       373 1 36 ASP HA   1 39 ASN QB   1.800 . 5.000 2.660 2.060 3.218     .  0 0 "[    .    1    .    2]" 1 
       374 1 36 ASP HA   1 39 ASN HD21 1.800 . 5.000 3.126 1.799 4.589 0.001 10 0 "[    .    1    .    2]" 1 
       375 1 36 ASP HA   1 39 ASN HD22 1.800 . 5.000 4.307 2.768 5.020 0.020 20 0 "[    .    1    .    2]" 1 
       376 1 36 ASP HA   1 39 ASN H    1.800 . 4.000 3.526 3.036 3.849     .  0 0 "[    .    1    .    2]" 1 
       377 1 36 ASP HA   1 40 VAL H    1.800 . 5.000 4.393 3.885 4.595     .  0 0 "[    .    1    .    2]" 1 
       378 1 36 ASP QB   1 37 PHE H    1.800 . 4.000 2.473 2.211 2.733     .  0 0 "[    .    1    .    2]" 1 
       379 1 36 ASP H    1 37 PHE H    1.800 . 5.000 2.657 2.391 2.869     .  0 0 "[    .    1    .    2]" 1 
       380 1 36 ASP H    1 38 SER H    1.800 . 5.000 4.123 3.870 4.511     .  0 0 "[    .    1    .    2]" 1 
       381 1 37 PHE HA   1 40 VAL HB   1.800 . 5.000 3.012 2.693 3.452     .  0 0 "[    .    1    .    2]" 1 
       382 1 37 PHE HA   1 40 VAL MG1  1.800 . 5.000 4.323 4.026 4.798     .  0 0 "[    .    1    .    2]" 1 
       383 1 37 PHE HA   1 40 VAL MG2  1.800 . 5.000 2.890 2.452 3.371     .  0 0 "[    .    1    .    2]" 1 
       384 1 37 PHE HA   1 40 VAL H    1.800 . 4.000 3.415 3.196 3.616     .  0 0 "[    .    1    .    2]" 1 
       385 1 37 PHE HA   1 41 LEU H    1.800 . 5.000 4.168 3.954 4.586     .  0 0 "[    .    1    .    2]" 1 
       386 1 37 PHE HA   1 60 ILE MD   1.800 . 5.000 3.060 2.018 3.897     .  0 0 "[    .    1    .    2]" 1 
       387 1 37 PHE QB   1 38 SER H    1.800 . 4.000 2.605 2.453 2.751     .  0 0 "[    .    1    .    2]" 1 
       388 1 37 PHE QB   1 41 LEU QD   1.800 . 5.000 3.278 2.727 4.366     .  0 0 "[    .    1    .    2]" 1 
       389 1 37 PHE QB   1 60 ILE MD   1.800 . 5.000 3.481 2.356 4.407     .  0 0 "[    .    1    .    2]" 1 
       390 1 37 PHE QD   1 40 VAL QG   1.800 . 5.000 3.868 2.975 4.651     .  0 0 "[    .    1    .    2]" 1 
       391 1 37 PHE QD   1 60 ILE MD   1.800 . 5.000 2.800 1.963 3.801     .  0 0 "[    .    1    .    2]" 1 
       392 1 37 PHE QD   1 60 ILE MG   1.800 . 5.000 3.291 2.770 3.738     .  0 0 "[    .    1    .    2]" 1 
       393 1 37 PHE QD   1 61 MET ME   1.800 . 5.000 4.443 2.694 5.005 0.005  2 0 "[    .    1    .    2]" 1 
       394 1 37 PHE QD   1 67 ILE MD   1.800 . 5.000 3.168 2.026 4.131     .  0 0 "[    .    1    .    2]" 1 
       395 1 37 PHE QE   1 60 ILE MD   1.800 . 5.000 3.505 2.611 4.201     .  0 0 "[    .    1    .    2]" 1 
       396 1 37 PHE QE   1 60 ILE MG   1.800 . 5.000 2.550 1.868 3.176     .  0 0 "[    .    1    .    2]" 1 
       397 1 37 PHE QE   1 61 MET QB   1.800 . 5.000 3.182 1.795 4.795 0.005 11 0 "[    .    1    .    2]" 1 
       398 1 37 PHE QE   1 61 MET ME   1.800 . 5.000 4.443 2.393 5.005 0.005  6 0 "[    .    1    .    2]" 1 
       399 1 37 PHE QE   1 63 THR MG   1.800 . 5.000 2.914 2.005 3.890     .  0 0 "[    .    1    .    2]" 1 
       400 1 37 PHE QE   1 65 VAL MG1  1.800 . 5.000 3.389 2.064 4.824     .  0 0 "[    .    1    .    2]" 1 
       401 1 37 PHE QE   1 65 VAL MG2  1.800 . 5.000 3.814 2.799 4.994     .  0 0 "[    .    1    .    2]" 1 
       402 1 37 PHE QE   1 67 ILE MD   1.800 . 5.000 3.154 2.130 4.698     .  0 0 "[    .    1    .    2]" 1 
       403 1 37 PHE H    1 38 SER H    1.800 . 3.500 2.712 2.592 2.825     .  0 0 "[    .    1    .    2]" 1 
       404 1 37 PHE H    1 39 ASN H    1.800 . 5.000 4.075 3.747 4.304     .  0 0 "[    .    1    .    2]" 1 
       405 1 37 PHE HZ   1 60 ILE MG   1.800 . 5.000 3.344 2.581 4.256     .  0 0 "[    .    1    .    2]" 1 
       406 1 37 PHE HZ   1 63 THR MG   1.800 . 5.000 2.115 1.793 3.098 0.007 10 0 "[    .    1    .    2]" 1 
       407 1 37 PHE HZ   1 65 VAL MG1  1.800 . 5.000 4.208 3.276 5.003 0.003  5 0 "[    .    1    .    2]" 1 
       408 1 37 PHE HZ   1 65 VAL MG2  1.800 . 5.000 3.791 2.866 5.001 0.001  1 0 "[    .    1    .    2]" 1 
       409 1 38 SER HA   1 41 LEU QB   1.800 . 5.000 2.552 2.057 3.028     .  0 0 "[    .    1    .    2]" 1 
       410 1 38 SER HA   1 41 LEU QD   1.800 . 5.000 2.751 2.207 3.587     .  0 0 "[    .    1    .    2]" 1 
       411 1 38 SER HA   1 41 LEU H    1.800 . 4.000 3.300 3.021 3.659     .  0 0 "[    .    1    .    2]" 1 
       412 1 38 SER QB   1 39 ASN H    1.800 . 4.000 2.961 2.475 3.582     .  0 0 "[    .    1    .    2]" 1 
       413 1 38 SER QB   1 41 LEU QD   1.800 . 5.000 4.021 3.226 4.868     .  0 0 "[    .    1    .    2]" 1 
       414 1 38 SER H    1 39 ASN H    1.800 . 3.500 2.634 2.520 2.751     .  0 0 "[    .    1    .    2]" 1 
       415 1 39 ASN HA   1 42 SER QB   1.800 . 5.000 3.147 2.665 4.286     .  0 0 "[    .    1    .    2]" 1 
       416 1 39 ASN HA   1 42 SER H    1.800 . 4.000 3.626 3.296 4.003 0.003  6 0 "[    .    1    .    2]" 1 
       417 1 39 ASN QB   1 40 VAL H    1.800 . 4.000 2.570 2.248 2.981     .  0 0 "[    .    1    .    2]" 1 
       418 1 39 ASN H    1 40 VAL H    1.800 . 5.000 2.692 2.512 2.877     .  0 0 "[    .    1    .    2]" 1 
       419 1 40 VAL HA   1 43 ARG QB   1.800 . 5.000 3.426 2.591 4.997     .  0 0 "[    .    1    .    2]" 1 
       420 1 40 VAL HA   1 43 ARG H    1.800 . 4.000 3.729 3.525 3.984     .  0 0 "[    .    1    .    2]" 1 
       421 1 40 VAL HB   1 41 LEU H    1.800 . 4.000 2.552 2.454 2.684     .  0 0 "[    .    1    .    2]" 1 
       422 1 40 VAL HB   1 60 ILE MD   1.800 . 5.000 2.504 1.911 2.929     .  0 0 "[    .    1    .    2]" 1 
       423 1 40 VAL MG1  1 41 LEU H    1.800 . 5.000 3.450 3.351 3.595     .  0 0 "[    .    1    .    2]" 1 
       424 1 40 VAL MG1  1 60 ILE MD   1.800 . 5.000 2.276 1.811 3.201     .  0 0 "[    .    1    .    2]" 1 
       425 1 40 VAL MG1  1 61 MET HG3  1.800 . 5.000 4.531 3.584 5.011 0.011 17 0 "[    .    1    .    2]" 1 
       426 1 40 VAL MG1  1 61 MET HG2  1.800 . 5.000 4.206 3.168 5.006 0.006 10 0 "[    .    1    .    2]" 1 
       427 1 40 VAL MG2  1 41 LEU H    1.800 . 5.000 3.768 3.707 3.862     .  0 0 "[    .    1    .    2]" 1 
       428 1 40 VAL MG2  1 60 ILE MD   1.800 . 5.000 2.811 2.165 3.875     .  0 0 "[    .    1    .    2]" 1 
       429 1 40 VAL MG2  1 61 MET HG3  1.800 . 5.000 3.265 2.650 3.839     .  0 0 "[    .    1    .    2]" 1 
       430 1 40 VAL MG2  1 61 MET HG2  1.800 . 5.000 3.174 2.091 4.666     .  0 0 "[    .    1    .    2]" 1 
       431 1 40 VAL QG   1 43 ARG QG   1.800 . 5.000 4.309 2.921 5.005 0.005  3 0 "[    .    1    .    2]" 1 
       432 1 40 VAL QG   1 44 LEU QB   1.800 . 5.000 3.167 2.567 4.228     .  0 0 "[    .    1    .    2]" 1 
       433 1 40 VAL QG   1 60 ILE HA   1.800 . 5.000 4.611 3.935 5.007 0.007 12 0 "[    .    1    .    2]" 1 
       434 1 40 VAL QG   1 60 ILE QG   1.800 . 5.000 2.536 1.969 2.872     .  0 0 "[    .    1    .    2]" 1 
       435 1 40 VAL QG   1 61 MET ME   1.800 . 5.000 2.922 1.831 4.345     .  0 0 "[    .    1    .    2]" 1 
       436 1 40 VAL H    1 41 LEU H    1.800 . 3.500 2.638 2.478 2.747     .  0 0 "[    .    1    .    2]" 1 
       437 1 40 VAL H    1 60 ILE MD   1.800 . 5.000 4.555 3.851 5.005 0.005 12 0 "[    .    1    .    2]" 1 
       438 1 41 LEU HA   1 43 ARG H    1.800 . 5.000 3.665 3.276 3.928     .  0 0 "[    .    1    .    2]" 1 
       439 1 41 LEU HA   1 44 LEU QB   1.800 . 5.000 2.261 1.941 3.220     .  0 0 "[    .    1    .    2]" 1 
       440 1 41 LEU HA   1 44 LEU MD1  1.800 . 5.000 4.212 2.267 5.004 0.004  9 0 "[    .    1    .    2]" 1 
       441 1 41 LEU HA   1 44 LEU MD2  1.800 . 5.000 3.323 2.877 4.835     .  0 0 "[    .    1    .    2]" 1 
       442 1 41 LEU HA   1 44 LEU HG   1.800 . 5.000 4.386 2.600 4.932     .  0 0 "[    .    1    .    2]" 1 
       443 1 41 LEU HA   1 44 LEU H    1.800 . 4.000 3.245 2.869 3.514     .  0 0 "[    .    1    .    2]" 1 
       444 1 41 LEU HA   1 60 ILE MD   1.800 . 5.000 4.710 3.546 5.009 0.009 19 0 "[    .    1    .    2]" 1 
       445 1 41 LEU QB   1 42 SER H    1.800 . 4.000 2.824 2.530 2.980     .  0 0 "[    .    1    .    2]" 1 
       446 1 41 LEU MD1  1 42 SER H    1.800 . 5.000 4.774 4.268 4.973     .  0 0 "[    .    1    .    2]" 1 
       447 1 41 LEU MD1  1 60 ILE MD   1.800 . 5.000 3.996 2.638 4.951     .  0 0 "[    .    1    .    2]" 1 
       448 1 41 LEU MD2  1 42 SER H    1.800 . 5.000 4.673 4.611 4.725     .  0 0 "[    .    1    .    2]" 1 
       449 1 41 LEU MD2  1 60 ILE MD   1.800 . 5.000 3.196 2.453 4.762     .  0 0 "[    .    1    .    2]" 1 
       450 1 41 LEU QD   1 57 CYS QB   1.800 . 5.000 3.954 2.786 4.674     .  0 0 "[    .    1    .    2]" 1 
       451 1 41 LEU QD   1 60 ILE MG   1.800 . 5.000 4.475 4.025 4.929     .  0 0 "[    .    1    .    2]" 1 
       452 1 41 LEU QD   1 67 ILE MD   1.800 . 5.000 3.489 2.894 4.368     .  0 0 "[    .    1    .    2]" 1 
       453 1 41 LEU HG   1 42 SER H    1.800 . 5.000 4.536 4.364 5.021 0.021 17 0 "[    .    1    .    2]" 1 
       454 1 41 LEU HG   1 60 ILE MD   1.800 . 5.000 3.740 2.841 5.007 0.007 15 0 "[    .    1    .    2]" 1 
       455 1 41 LEU H    1 42 SER H    1.800 . 3.500 2.654 2.561 2.746     .  0 0 "[    .    1    .    2]" 1 
       456 1 41 LEU H    1 60 ILE MD   1.800 . 5.000 4.195 3.694 4.611     .  0 0 "[    .    1    .    2]" 1 
       457 1 42 SER HA   1 44 LEU H    1.800 . 5.000 3.829 3.546 4.478     .  0 0 "[    .    1    .    2]" 1 
       458 1 42 SER QB   1 43 ARG H    1.800 . 4.000 3.276 3.008 3.852     .  0 0 "[    .    1    .    2]" 1 
       459 1 42 SER H    1 43 ARG H    1.800 . 3.500 2.556 2.391 2.659     .  0 0 "[    .    1    .    2]" 1 
       460 1 42 SER H    1 44 LEU H    1.800 . 5.000 3.961 3.646 4.179     .  0 0 "[    .    1    .    2]" 1 
       461 1 43 ARG QB   1 44 LEU H    1.800 . 4.000 3.467 2.800 3.994     .  0 0 "[    .    1    .    2]" 1 
       462 1 43 ARG QG   1 44 LEU H    1.800 . 5.000 4.127 3.228 4.501     .  0 0 "[    .    1    .    2]" 1 
       463 1 43 ARG H    1 44 LEU H    1.800 . 3.500 2.156 1.796 2.485 0.004 14 0 "[    .    1    .    2]" 1 
       464 1 44 LEU HA   1 45 TYR H    1.800 . 3.500 2.314 2.063 3.519 0.019 19 0 "[    .    1    .    2]" 1 
       465 1 44 LEU MD1  1 45 TYR H    1.800 . 5.000 3.400 2.208 5.006 0.006 10 0 "[    .    1    .    2]" 1 
       466 1 44 LEU MD1  1 57 CYS QB   1.800 . 5.000 4.209 3.199 5.010 0.010  5 0 "[    .    1    .    2]" 1 
       467 1 44 LEU MD2  1 57 CYS QB   1.800 . 5.000 3.467 1.962 5.009 0.009 12 0 "[    .    1    .    2]" 1 
       468 1 44 LEU QD   1 45 TYR H    1.800 . 5.000 3.093 2.200 4.162     .  0 0 "[    .    1    .    2]" 1 
       469 1 44 LEU QD   1 56 VAL HB   1.800 . 5.000 3.534 1.835 5.008 0.008 10 0 "[    .    1    .    2]" 1 
       470 1 44 LEU QD   1 57 CYS HA   1.800 . 5.000 4.306 3.222 5.006 0.006 12 0 "[    .    1    .    2]" 1 
       471 1 44 LEU HG   1 45 TYR H    1.800 . 5.000 3.775 2.574 5.007 0.007 12 0 "[    .    1    .    2]" 1 
       472 1 44 LEU HG   1 46 VAL QG   1.800 . 5.000 3.239 1.802 5.003 0.003 19 0 "[    .    1    .    2]" 1 
       473 1 45 TYR HA   1 46 VAL H    1.800 . 3.500 2.180 2.119 2.341     .  0 0 "[    .    1    .    2]" 1 
       474 1 45 TYR QD   1 46 VAL H    1.800 . 5.000 4.452 3.851 4.829     .  0 0 "[    .    1    .    2]" 1 
       475 1 45 TYR H    1 46 VAL H    1.800 . 5.000 4.067 3.204 4.405     .  0 0 "[    .    1    .    2]" 1 
       476 1 46 VAL HA   1 47 GLY H    1.800 . 3.500 2.352 2.127 2.865     .  0 0 "[    .    1    .    2]" 1 
       477 1 46 VAL HB   1 56 VAL QG   1.800 . 5.000 3.228 1.933 4.096     .  0 0 "[    .    1    .    2]" 1 
       478 1 46 VAL QG   1 47 GLY H    1.800 . 5.000 2.682 1.945 3.558     .  0 0 "[    .    1    .    2]" 1 
       479 1 46 VAL QG   1 56 VAL HA   1.800 . 5.000 3.887 2.297 4.666     .  0 0 "[    .    1    .    2]" 1 
       480 1 46 VAL H    1 47 GLY H    1.800 . 5.000 4.477 4.224 4.595     .  0 0 "[    .    1    .    2]" 1 
       481 1 47 GLY HA3  1 48 VAL H    1.800 . 3.500 2.922 2.107 3.521 0.021 18 0 "[    .    1    .    2]" 1 
       482 1 47 GLY HA2  1 48 VAL H    1.800 . 3.500 2.755 2.206 3.489     .  0 0 "[    .    1    .    2]" 1 
       483 1 47 GLY H    1 48 VAL H    1.800 . 5.000 3.556 2.139 4.476     .  0 0 "[    .    1    .    2]" 1 
       484 1 48 VAL HA   1 49 PRO HA   1.800 . 5.000 4.515 4.459 4.645     .  0 0 "[    .    1    .    2]" 1 
       485 1 48 VAL HA   1 50 THR MG   1.800 . 5.000 4.815 4.441 5.004 0.004  1 0 "[    .    1    .    2]" 1 
       486 1 48 VAL HB   1 50 THR MG   1.800 . 5.000 3.533 2.704 4.465     .  0 0 "[    .    1    .    2]" 1 
       487 1 48 VAL QG   1 50 THR HA   1.800 . 5.000 3.941 3.261 4.921     .  0 0 "[    .    1    .    2]" 1 
       488 1 49 PRO HA   1 50 THR H    1.800 . 3.500 2.190 2.146 2.509     .  0 0 "[    .    1    .    2]" 1 
       489 1 49 PRO HA   1 73 LEU MD1  1.800 . 5.000 3.242 2.133 4.963     .  0 0 "[    .    1    .    2]" 1 
       490 1 49 PRO HA   1 73 LEU MD2  1.800 . 5.000 3.414 1.915 5.011 0.011 16 0 "[    .    1    .    2]" 1 
       491 1 49 PRO QB   1 74 PRO HA   1.800 . 5.000 4.127 2.991 4.902     .  0 0 "[    .    1    .    2]" 1 
       492 1 49 PRO QB   1 75 LYS H    1.800 . 5.000 3.726 2.313 4.614     .  0 0 "[    .    1    .    2]" 1 
       493 1 49 PRO HD3  1 75 LYS QE   1.800 . 5.000 4.428 3.262 5.006 0.006  1 0 "[    .    1    .    2]" 1 
       494 1 49 PRO HD2  1 75 LYS QE   1.800 . 5.000 3.923 2.674 5.006 0.006 19 0 "[    .    1    .    2]" 1 
       495 1 49 PRO QD   1 75 LYS QD   1.800 . 5.000 3.471 1.977 4.954     .  0 0 "[    .    1    .    2]" 1 
       496 1 49 PRO QG   1 75 LYS H    1.800 . 5.000 4.601 3.849 5.008 0.008 13 0 "[    .    1    .    2]" 1 
       497 1 50 THR HA   1 51 LYS H    1.800 . 2.900 2.552 2.383 2.799     .  0 0 "[    .    1    .    2]" 1 
       498 1 50 THR HB   1 54 ASN HA   1.800 . 5.000 4.848 4.472 5.017 0.017 11 0 "[    .    1    .    2]" 1 
       499 1 50 THR HB   1 73 LEU H    1.800 . 5.000 5.001 4.871 5.023 0.023  6 0 "[    .    1    .    2]" 1 
       500 1 50 THR MG   1 51 LYS H    1.800 . 5.000 3.069 2.257 3.574     .  0 0 "[    .    1    .    2]" 1 
       501 1 50 THR MG   1 54 ASN HA   1.800 . 5.000 4.666 4.172 4.965     .  0 0 "[    .    1    .    2]" 1 
       502 1 50 THR MG   1 54 ASN QB   1.800 . 5.000 2.627 2.253 3.095     .  0 0 "[    .    1    .    2]" 1 
       503 1 50 THR H    1 51 LYS H    1.800 . 5.000 4.430 4.284 4.541     .  0 0 "[    .    1    .    2]" 1 
       504 1 50 THR H    1 73 LEU QB   1.800 . 5.000 2.162 1.795 2.668 0.005 12 0 "[    .    1    .    2]" 1 
       505 1 50 THR H    1 73 LEU H    1.800 . 5.000 3.268 2.468 4.044     .  0 0 "[    .    1    .    2]" 1 
       506 1 51 LYS HA   1 52 SER H    1.800 . 2.900 2.636 2.349 2.918 0.018 11 0 "[    .    1    .    2]" 1 
       507 1 51 LYS HA   1 72 ASN HA   1.800 . 3.500 2.185 1.792 2.901 0.008 14 0 "[    .    1    .    2]" 1 
       508 1 51 LYS HA   1 73 LEU H    1.800 . 4.000 3.296 2.233 4.006 0.006 12 0 "[    .    1    .    2]" 1 
       509 1 51 LYS QB   1 72 ASN HA   1.800 . 5.000 4.109 3.446 4.670     .  0 0 "[    .    1    .    2]" 1 
       510 1 51 LYS QB   1 72 ASN QB   1.800 . 5.000 4.098 2.825 4.608     .  0 0 "[    .    1    .    2]" 1 
       511 1 51 LYS QG   1 52 SER H    1.800 . 5.000 3.620 1.795 4.484 0.005 16 0 "[    .    1    .    2]" 1 
       512 1 51 LYS H    1 52 SER H    1.800 . 5.000 4.304 3.163 4.539     .  0 0 "[    .    1    .    2]" 1 
       513 1 51 LYS H    1 54 ASN QB   1.800 . 5.000 3.333 2.586 4.269     .  0 0 "[    .    1    .    2]" 1 
       514 1 51 LYS H    1 54 ASN QD   1.800 . 5.000 3.234 2.127 3.893     .  0 0 "[    .    1    .    2]" 1 
       515 1 52 SER HA   1 53 GLY H    1.800 . 2.900 2.174 2.126 2.307     .  0 0 "[    .    1    .    2]" 1 
       516 1 52 SER HA   1 69 CYS QB   1.800 . 5.000 4.665 4.229 5.000 0.000  6 0 "[    .    1    .    2]" 1 
       517 1 52 SER QB   1 70 THR HA   1.800 . 5.000 3.133 2.604 3.874     .  0 0 "[    .    1    .    2]" 1 
       518 1 52 SER QB   1 71 LYS HA   1.800 . 5.000 4.082 3.708 4.929     .  0 0 "[    .    1    .    2]" 1 
       519 1 52 SER QB   1 71 LYS H    1.800 . 5.000 4.708 4.321 5.006 0.006  7 0 "[    .    1    .    2]" 1 
       520 1 52 SER QB   1 72 ASN H    1.800 . 5.000 4.396 4.013 5.003 0.003  7 0 "[    .    1    .    2]" 1 
       521 1 52 SER H    1 53 GLY H    1.800 . 5.000 4.507 4.248 4.624     .  0 0 "[    .    1    .    2]" 1 
       522 1 52 SER H    1 72 ASN HA   1.800 . 4.000 3.654 2.382 4.021 0.021 11 0 "[    .    1    .    2]" 1 
       523 1 53 GLY HA3  1 68 ILE MD   1.800 . 5.000 3.835 3.137 4.570     .  0 0 "[    .    1    .    2]" 1 
       524 1 53 GLY HA3  1 68 ILE MG   1.800 . 5.000 4.513 4.209 4.878     .  0 0 "[    .    1    .    2]" 1 
       525 1 53 GLY HA2  1 68 ILE MD   1.800 . 5.000 2.510 2.003 3.117     .  0 0 "[    .    1    .    2]" 1 
       526 1 53 GLY HA2  1 68 ILE MG   1.800 . 5.000 3.485 3.172 3.726     .  0 0 "[    .    1    .    2]" 1 
       527 1 53 GLY QA   1 54 ASN H    1.800 . 3.500 2.794 2.541 2.859     .  0 0 "[    .    1    .    2]" 1 
       528 1 53 GLY QA   1 68 ILE HB   1.800 . 5.000 2.671 2.268 3.202     .  0 0 "[    .    1    .    2]" 1 
       529 1 53 GLY H    1 54 ASN H    1.800 . 3.500 2.279 2.086 2.719     .  0 0 "[    .    1    .    2]" 1 
       530 1 53 GLY H    1 68 ILE HB   1.800 . 5.000 3.785 3.387 4.063     .  0 0 "[    .    1    .    2]" 1 
       531 1 53 GLY H    1 68 ILE MD   1.800 . 5.000 4.123 3.814 4.578     .  0 0 "[    .    1    .    2]" 1 
       532 1 53 GLY H    1 68 ILE MG   1.800 . 5.000 4.967 4.661 5.009 0.009  5 0 "[    .    1    .    2]" 1 
       533 1 53 GLY H    1 69 CYS QB   1.800 . 5.000 4.504 4.166 5.003 0.003 14 0 "[    .    1    .    2]" 1 
       534 1 54 ASN HA   1 55 VAL H    1.800 . 2.900 2.174 2.074 2.267     .  0 0 "[    .    1    .    2]" 1 
       535 1 54 ASN QB   1 56 VAL QG   1.800 . 5.000 3.974 2.809 4.453     .  0 0 "[    .    1    .    2]" 1 
       536 1 54 ASN HD21 1 70 THR HA   1.800 . 5.000 4.558 4.007 5.010 0.010  7 0 "[    .    1    .    2]" 1 
       537 1 54 ASN HD22 1 70 THR HA   1.800 . 5.000 4.829 4.225 5.013 0.013 17 0 "[    .    1    .    2]" 1 
       538 1 54 ASN H    1 55 VAL H    1.800 . 5.000 4.461 4.220 4.582     .  0 0 "[    .    1    .    2]" 1 
       539 1 54 ASN H    1 68 ILE HB   1.800 . 5.000 3.258 2.448 3.793     .  0 0 "[    .    1    .    2]" 1 
       540 1 54 ASN H    1 68 ILE MG   1.800 . 5.000 4.135 3.515 4.370     .  0 0 "[    .    1    .    2]" 1 
       541 1 54 ASN H    1 69 CYS QB   1.800 . 5.000 3.721 3.164 4.539     .  0 0 "[    .    1    .    2]" 1 
       542 1 54 ASN H    1 69 CYS H    1.800 . 4.000 3.218 2.911 3.379     .  0 0 "[    .    1    .    2]" 1 
       543 1 54 ASN H    1 70 THR HA   1.800 . 4.000 4.011 3.965 4.028 0.028 14 0 "[    .    1    .    2]" 1 
       544 1 55 VAL HA   1 68 ILE HA   1.800 . 3.500 2.331 2.113 2.490     .  0 0 "[    .    1    .    2]" 1 
       545 1 55 VAL HA   1 68 ILE HB   1.800 . 5.000 3.834 3.746 3.969     .  0 0 "[    .    1    .    2]" 1 
       546 1 55 VAL HA   1 68 ILE MD   1.800 . 5.000 4.994 4.874 5.008 0.008  8 0 "[    .    1    .    2]" 1 
       547 1 55 VAL HA   1 68 ILE MG   1.800 . 5.000 1.987 1.801 2.084     .  0 0 "[    .    1    .    2]" 1 
       548 1 55 VAL HA   1 69 CYS H    1.800 . 4.000 3.879 3.627 4.018 0.018  7 0 "[    .    1    .    2]" 1 
       549 1 55 VAL HB   1 66 ASP QB   1.800 . 5.000 4.523 4.196 5.003 0.003  1 0 "[    .    1    .    2]" 1 
       550 1 55 VAL MG1  1 56 VAL H    1.800 . 5.000 3.012 2.715 3.430     .  0 0 "[    .    1    .    2]" 1 
       551 1 55 VAL MG1  1 58 LYS QB   1.800 . 5.000 2.197 1.802 3.481     .  0 0 "[    .    1    .    2]" 1 
       552 1 55 VAL MG1  1 58 LYS QD   1.800 . 5.000 3.159 1.800 4.177 0.000 19 0 "[    .    1    .    2]" 1 
       553 1 55 VAL MG1  1 66 ASP HA   1.800 . 5.000 3.242 2.583 3.627     .  0 0 "[    .    1    .    2]" 1 
       554 1 55 VAL MG1  1 66 ASP QB   1.800 . 5.000 2.174 1.797 2.829 0.003 19 0 "[    .    1    .    2]" 1 
       555 1 55 VAL MG2  1 58 LYS HA   1.800 . 5.000 4.621 4.114 5.006 0.006  1 0 "[    .    1    .    2]" 1 
       556 1 55 VAL MG2  1 58 LYS QB   1.800 . 5.000 3.983 3.508 5.006 0.006 19 0 "[    .    1    .    2]" 1 
       557 1 55 VAL MG2  1 58 LYS QD   1.800 . 5.000 4.055 3.437 5.018 0.018  3 0 "[    .    1    .    2]" 1 
       558 1 55 VAL MG2  1 58 LYS QE   1.800 . 5.000 4.295 2.361 5.007 0.007 19 0 "[    .    1    .    2]" 1 
       559 1 55 VAL MG2  1 66 ASP HA   1.800 . 5.000 4.658 3.993 5.005 0.005  5 0 "[    .    1    .    2]" 1 
       560 1 55 VAL MG2  1 66 ASP QB   1.800 . 5.000 2.638 2.139 3.039     .  0 0 "[    .    1    .    2]" 1 
       561 1 55 VAL MG2  1 67 ILE H    1.800 . 5.000 4.940 4.413 5.007 0.007 20 0 "[    .    1    .    2]" 1 
       562 1 55 VAL QG   1 56 VAL H    1.800 . 5.000 2.945 2.676 3.310     .  0 0 "[    .    1    .    2]" 1 
       563 1 55 VAL QG   1 57 CYS HA   1.800 . 5.000 3.681 3.437 4.035     .  0 0 "[    .    1    .    2]" 1 
       564 1 55 VAL QG   1 57 CYS QB   1.800 . 5.000 4.302 4.022 4.686     .  0 0 "[    .    1    .    2]" 1 
       565 1 55 VAL QG   1 58 LYS HA   1.800 . 5.000 2.686 2.205 3.158     .  0 0 "[    .    1    .    2]" 1 
       566 1 55 VAL QG   1 58 LYS QB   1.800 . 5.000 2.184 1.797 3.418 0.003 18 0 "[    .    1    .    2]" 1 
       567 1 55 VAL QG   1 58 LYS QE   1.800 . 5.000 3.540 1.907 4.345     .  0 0 "[    .    1    .    2]" 1 
       568 1 55 VAL QG   1 58 LYS QG   1.800 . 5.000 2.782 1.801 3.531     .  0 0 "[    .    1    .    2]" 1 
       569 1 55 VAL QG   1 67 ILE HB   1.800 . 5.000 4.247 3.933 4.658     .  0 0 "[    .    1    .    2]" 1 
       570 1 55 VAL QG   1 67 ILE H    1.800 . 5.000 3.170 2.759 3.587     .  0 0 "[    .    1    .    2]" 1 
       571 1 55 VAL QG   1 68 ILE HA   1.800 . 5.000 3.480 3.235 3.693     .  0 0 "[    .    1    .    2]" 1 
       572 1 55 VAL H    1 56 VAL H    1.800 . 5.000 4.359 4.138 4.472     .  0 0 "[    .    1    .    2]" 1 
       573 1 55 VAL H    1 68 ILE MG   1.800 . 5.000 3.362 3.200 3.679     .  0 0 "[    .    1    .    2]" 1 
       574 1 56 VAL HB   1 67 ILE HB   1.800 . 5.000 3.723 2.931 5.006 0.006  3 0 "[    .    1    .    2]" 1 
       575 1 56 VAL HB   1 67 ILE MG   1.800 . 5.000 3.481 2.599 4.934     .  0 0 "[    .    1    .    2]" 1 
       576 1 56 VAL QG   1 57 CYS H    1.800 . 5.000 2.696 1.798 3.206 0.002  4 0 "[    .    1    .    2]" 1 
       577 1 56 VAL QG   1 68 ILE HA   1.800 . 5.000 3.049 2.624 3.229     .  0 0 "[    .    1    .    2]" 1 
       578 1 56 VAL QG   1 69 CYS HA   1.800 . 5.000 4.155 3.405 4.586     .  0 0 "[    .    1    .    2]" 1 
       579 1 56 VAL QG   1 69 CYS QB   1.800 . 5.000 3.053 2.136 3.826     .  0 0 "[    .    1    .    2]" 1 
       580 1 56 VAL QG   1 69 CYS H    1.800 . 5.000 2.842 2.352 3.365     .  0 0 "[    .    1    .    2]" 1 
       581 1 56 VAL H    1 57 CYS H    1.800 . 3.500 2.505 2.180 2.756     .  0 0 "[    .    1    .    2]" 1 
       582 1 56 VAL H    1 67 ILE HB   1.800 . 5.000 3.920 3.597 4.207     .  0 0 "[    .    1    .    2]" 1 
       583 1 56 VAL H    1 67 ILE MG   1.800 . 5.000 3.846 3.632 4.067     .  0 0 "[    .    1    .    2]" 1 
       584 1 56 VAL H    1 67 ILE H    1.800 . 5.000 4.550 4.141 4.830     .  0 0 "[    .    1    .    2]" 1 
       585 1 56 VAL H    1 68 ILE HA   1.800 . 4.000 2.702 2.306 3.014     .  0 0 "[    .    1    .    2]" 1 
       586 1 56 VAL H    1 68 ILE MG   1.800 . 5.000 3.644 3.376 3.842     .  0 0 "[    .    1    .    2]" 1 
       587 1 57 CYS QB   1 60 ILE HA   1.800 . 5.000 3.537 2.298 4.905     .  0 0 "[    .    1    .    2]" 1 
       588 1 57 CYS QB   1 60 ILE HB   1.800 . 5.000 2.414 1.838 2.925     .  0 0 "[    .    1    .    2]" 1 
       589 1 57 CYS QB   1 60 ILE MD   1.800 . 5.000 2.890 2.372 3.524     .  0 0 "[    .    1    .    2]" 1 
       590 1 57 CYS QB   1 60 ILE MG   1.800 . 5.000 3.586 3.006 4.085     .  0 0 "[    .    1    .    2]" 1 
       591 1 57 CYS QB   1 67 ILE HB   1.800 . 5.000 2.561 1.799 3.371 0.001 10 0 "[    .    1    .    2]" 1 
       592 1 57 CYS QB   1 67 ILE MD   1.800 . 5.000 4.391 3.883 5.005 0.005  1 0 "[    .    1    .    2]" 1 
       593 1 57 CYS QB   1 67 ILE HG13 1.800 . 5.000 3.252 2.646 3.915     .  0 0 "[    .    1    .    2]" 1 
       594 1 57 CYS QB   1 67 ILE HG12 1.800 . 5.000 3.210 2.435 4.050     .  0 0 "[    .    1    .    2]" 1 
       595 1 57 CYS QB   1 67 ILE MG   1.800 . 5.000 3.705 3.134 4.311     .  0 0 "[    .    1    .    2]" 1 
       596 1 57 CYS QB   1 67 ILE H    1.800 . 5.000 3.508 2.598 4.497     .  0 0 "[    .    1    .    2]" 1 
       597 1 57 CYS H    1 58 LYS H    1.800 . 5.000 4.089 3.912 4.345     .  0 0 "[    .    1    .    2]" 1 
       598 1 57 CYS H    1 67 ILE HB   1.800 . 5.000 2.491 2.085 2.769     .  0 0 "[    .    1    .    2]" 1 
       599 1 57 CYS H    1 67 ILE QG   1.800 . 5.000 4.074 3.763 4.240     .  0 0 "[    .    1    .    2]" 1 
       600 1 57 CYS H    1 67 ILE MG   1.800 . 5.000 3.617 3.262 3.991     .  0 0 "[    .    1    .    2]" 1 
       601 1 57 CYS H    1 67 ILE H    1.800 . 4.000 3.364 2.979 3.757     .  0 0 "[    .    1    .    2]" 1 
       602 1 58 LYS HA   1 59 ASN H    1.800 . 2.900 2.165 2.095 2.263     .  0 0 "[    .    1    .    2]" 1 
       603 1 58 LYS HA   1 66 ASP HA   1.800 . 3.500 2.427 1.805 3.274     .  0 0 "[    .    1    .    2]" 1 
       604 1 58 LYS HA   1 67 ILE H    1.800 . 4.000 3.409 2.993 4.005 0.005 19 0 "[    .    1    .    2]" 1 
       605 1 58 LYS QG   1 59 ASN H    1.800 . 5.000 3.173 2.411 4.927     .  0 0 "[    .    1    .    2]" 1 
       606 1 58 LYS H    1 59 ASN H    1.800 . 5.000 4.458 4.295 4.561     .  0 0 "[    .    1    .    2]" 1 
       607 1 59 ASN HA   1 63 THR MG   1.800 . 5.000 4.707 3.743 5.022 0.022  6 0 "[    .    1    .    2]" 1 
       608 1 59 ASN HA   1 64 GLY H    1.800 . 5.000 2.688 1.868 3.991     .  0 0 "[    .    1    .    2]" 1 
       609 1 59 ASN HA   1 65 VAL H    1.800 . 5.000 3.129 2.393 3.979     .  0 0 "[    .    1    .    2]" 1 
       610 1 59 ASN HD21 1 62 ASN HA   1.800 . 5.000 3.916 3.038 5.004 0.004 17 0 "[    .    1    .    2]" 1 
       611 1 59 ASN HD22 1 62 ASN HA   1.800 . 5.000 3.680 1.881 5.007 0.007  6 0 "[    .    1    .    2]" 1 
       612 1 59 ASN H    1 60 ILE H    1.800 . 5.000 2.828 2.554 3.245     .  0 0 "[    .    1    .    2]" 1 
       613 1 59 ASN H    1 66 ASP HA   1.800 . 5.000 2.653 2.083 3.531     .  0 0 "[    .    1    .    2]" 1 
       614 1 60 ILE HA   1 62 ASN H    1.800 . 5.000 3.903 3.268 4.864     .  0 0 "[    .    1    .    2]" 1 
       615 1 60 ILE HB   1 67 ILE MD   1.800 . 5.000 4.243 3.320 4.903     .  0 0 "[    .    1    .    2]" 1 
       616 1 60 ILE MD   1 61 MET H    1.800 . 5.000 4.365 4.142 4.785     .  0 0 "[    .    1    .    2]" 1 
       617 1 60 ILE MD   1 67 ILE MD   1.800 . 5.000 3.292 2.669 3.855     .  0 0 "[    .    1    .    2]" 1 
       618 1 60 ILE MD   1 67 ILE HG13 1.800 . 5.000 2.565 2.112 3.132     .  0 0 "[    .    1    .    2]" 1 
       619 1 60 ILE MD   1 67 ILE HG12 1.800 . 5.000 3.344 2.790 3.852     .  0 0 "[    .    1    .    2]" 1 
       620 1 60 ILE MG   1 61 MET H    1.800 . 5.000 3.408 1.797 4.219 0.003 12 0 "[    .    1    .    2]" 1 
       621 1 60 ILE MG   1 63 THR MG   1.800 . 5.000 3.085 2.434 3.634     .  0 0 "[    .    1    .    2]" 1 
       622 1 60 ILE MG   1 65 VAL HB   1.800 . 5.000 3.106 2.209 4.177     .  0 0 "[    .    1    .    2]" 1 
       623 1 60 ILE MG   1 65 VAL MG1  1.800 . 5.000 3.108 1.911 4.180     .  0 0 "[    .    1    .    2]" 1 
       624 1 60 ILE MG   1 65 VAL MG2  1.800 . 5.000 3.964 1.825 4.793     .  0 0 "[    .    1    .    2]" 1 
       625 1 60 ILE MG   1 65 VAL H    1.800 . 5.000 3.861 3.390 4.417     .  0 0 "[    .    1    .    2]" 1 
       626 1 60 ILE MG   1 66 ASP HA   1.800 . 5.000 4.118 2.950 5.003 0.003  2 0 "[    .    1    .    2]" 1 
       627 1 60 ILE MG   1 67 ILE HB   1.800 . 5.000 4.188 3.676 4.858     .  0 0 "[    .    1    .    2]" 1 
       628 1 60 ILE MG   1 67 ILE MD   1.800 . 5.000 2.564 2.149 3.252     .  0 0 "[    .    1    .    2]" 1 
       629 1 60 ILE MG   1 67 ILE HG13 1.800 . 5.000 2.707 2.287 3.628     .  0 0 "[    .    1    .    2]" 1 
       630 1 60 ILE MG   1 67 ILE HG12 1.800 . 5.000 2.353 1.798 3.014 0.002 17 0 "[    .    1    .    2]" 1 
       631 1 60 ILE MG   1 67 ILE MG   1.800 . 5.000 4.296 3.978 4.999     .  0 0 "[    .    1    .    2]" 1 
       632 1 60 ILE MG   1 67 ILE H    1.800 . 5.000 3.820 2.993 4.542     .  0 0 "[    .    1    .    2]" 1 
       633 1 60 ILE H    1 62 ASN H    1.800 . 5.000 4.510 4.051 5.002 0.002 14 0 "[    .    1    .    2]" 1 
       634 1 60 ILE H    1 63 THR MG   1.800 . 5.000 4.594 3.586 5.014 0.014 12 0 "[    .    1    .    2]" 1 
       635 1 60 ILE H    1 65 VAL HB   1.800 . 5.000 4.393 3.607 5.019 0.019 11 0 "[    .    1    .    2]" 1 
       636 1 60 ILE H    1 65 VAL QG   1.800 . 5.000 4.075 2.580 4.829     .  0 0 "[    .    1    .    2]" 1 
       637 1 61 MET QB   1 63 THR MG   1.800 . 5.000 2.635 1.807 4.087     .  0 0 "[    .    1    .    2]" 1 
       638 1 61 MET QG   1 63 THR MG   1.800 . 5.000 4.169 3.637 5.009 0.009 20 0 "[    .    1    .    2]" 1 
       639 1 61 MET H    1 62 ASN H    1.800 . 5.000 2.748 2.404 3.987     .  0 0 "[    .    1    .    2]" 1 
       640 1 62 ASN HA   1 64 GLY H    1.800 . 5.000 3.648 3.245 4.592     .  0 0 "[    .    1    .    2]" 1 
       641 1 62 ASN H    1 63 THR H    1.800 . 3.500 2.866 2.558 3.451     .  0 0 "[    .    1    .    2]" 1 
       642 1 62 ASN H    1 64 GLY H    1.800 . 5.000 4.374 3.612 4.942     .  0 0 "[    .    1    .    2]" 1 
       643 1 63 THR HA   1 65 VAL QG   1.800 . 5.000 4.670 3.852 5.002 0.002  1 0 "[    .    1    .    2]" 1 
       644 1 63 THR MG   1 64 GLY H    1.800 . 5.000 3.578 2.223 4.177     .  0 0 "[    .    1    .    2]" 1 
       645 1 63 THR H    1 64 GLY H    1.800 . 3.500 2.225 1.790 2.786 0.010 19 0 "[    .    1    .    2]" 1 
       646 1 64 GLY H    1 65 VAL H    1.800 . 3.500 2.356 1.897 2.944     .  0 0 "[    .    1    .    2]" 1 
       647 1 65 VAL HA   1 66 ASP H    1.800 . 3.500 2.155 2.099 2.361     .  0 0 "[    .    1    .    2]" 1 
       648 1 65 VAL MG1  1 66 ASP H    1.800 . 5.000 2.740 2.410 3.796     .  0 0 "[    .    1    .    2]" 1 
       649 1 65 VAL MG2  1 66 ASP H    1.800 . 5.000 3.722 2.037 4.067     .  0 0 "[    .    1    .    2]" 1 
       650 1 65 VAL QG   1 67 ILE HA   1.800 . 5.000 3.515 3.151 4.614     .  0 0 "[    .    1    .    2]" 1 
       651 1 65 VAL QG   1 67 ILE MD   1.800 . 5.000 2.258 2.049 2.743     .  0 0 "[    .    1    .    2]" 1 
       652 1 65 VAL H    1 66 ASP H    1.800 . 5.000 4.468 4.184 4.579     .  0 0 "[    .    1    .    2]" 1 
       653 1 66 ASP HA   1 67 ILE H    1.800 . 2.900 2.156 2.086 2.216     .  0 0 "[    .    1    .    2]" 1 
       654 1 66 ASP QB   1 68 ILE MD   1.800 . 5.000 4.250 3.577 5.001 0.001  4 0 "[    .    1    .    2]" 1 
       655 1 66 ASP H    1 67 ILE H    1.800 . 5.000 4.330 4.146 4.481     .  0 0 "[    .    1    .    2]" 1 
       656 1 67 ILE HA   1 68 ILE H    1.800 . 2.900 2.136 2.114 2.157     .  0 0 "[    .    1    .    2]" 1 
       657 1 67 ILE HB   1 68 ILE H    1.800 . 5.000 4.323 4.212 4.408     .  0 0 "[    .    1    .    2]" 1 
       658 1 67 ILE MD   1 68 ILE H    1.800 . 5.000 3.704 3.555 3.816     .  0 0 "[    .    1    .    2]" 1 
       659 1 67 ILE MG   1 68 ILE H    1.800 . 5.000 2.994 2.759 3.243     .  0 0 "[    .    1    .    2]" 1 
       660 1 68 ILE HA   1 69 CYS H    1.800 . 2.900 2.163 2.127 2.196     .  0 0 "[    .    1    .    2]" 1 
       661 1 68 ILE HB   1 69 CYS H    1.800 . 5.000 3.034 2.814 3.190     .  0 0 "[    .    1    .    2]" 1 
       662 1 68 ILE MD   1 69 CYS H    1.800 . 5.000 4.890 4.724 5.005 0.005 17 0 "[    .    1    .    2]" 1 
       663 1 68 ILE MG   1 69 CYS H    1.800 . 5.000 3.753 3.613 3.879     .  0 0 "[    .    1    .    2]" 1 
       664 1 69 CYS HA   1 70 THR H    1.800 . 2.900 2.250 2.163 2.356     .  0 0 "[    .    1    .    2]" 1 
       665 1 69 CYS H    1 70 THR H    1.800 . 5.000 4.559 4.449 4.652     .  0 0 "[    .    1    .    2]" 1 
       666 1 70 THR HA   1 71 LYS H    1.800 . 3.500 3.206 3.107 3.316     .  0 0 "[    .    1    .    2]" 1 
       667 1 70 THR HA   1 72 ASN HD21 1.800 . 5.000 4.931 4.726 5.026 0.026 15 0 "[    .    1    .    2]" 1 
       668 1 70 THR HA   1 72 ASN HD22 1.800 . 5.000 4.995 4.868 5.013 0.013 14 0 "[    .    1    .    2]" 1 
       669 1 70 THR MG   1 71 LYS H    1.800 . 5.000 3.153 2.911 3.361     .  0 0 "[    .    1    .    2]" 1 
       670 1 70 THR H    1 71 LYS H    1.800 . 3.500 2.190 2.005 2.437     .  0 0 "[    .    1    .    2]" 1 
       671 1 71 LYS HA   1 72 ASN H    1.800 . 3.500 2.215 2.111 2.317     .  0 0 "[    .    1    .    2]" 1 
       672 1 71 LYS QB   1 73 LEU MD1  1.800 . 5.000 3.452 2.302 4.665     .  0 0 "[    .    1    .    2]" 1 
       673 1 71 LYS QB   1 73 LEU MD2  1.800 . 5.000 3.684 2.054 5.000     .  0 0 "[    .    1    .    2]" 1 
       674 1 71 LYS QD   1 72 ASN H    1.800 . 5.000 3.830 1.962 4.915     .  0 0 "[    .    1    .    2]" 1 
       675 1 71 LYS QD   1 73 LEU MD1  1.800 . 5.000 4.310 2.938 5.013 0.013  6 0 "[    .    1    .    2]" 1 
       676 1 71 LYS QD   1 73 LEU QD   1.800 . 5.000 3.465 2.239 4.553     .  0 0 "[    .    1    .    2]" 1 
       677 1 71 LYS QE   1 73 LEU QD   1.800 . 5.000 3.879 2.401 5.007 0.007  8 0 "[    .    1    .    2]" 1 
       678 1 71 LYS QG   1 72 ASN H    1.800 . 5.000 2.719 2.168 4.251     .  0 0 "[    .    1    .    2]" 1 
       679 1 71 LYS QG   1 73 LEU QD   1.800 . 5.000 2.955 1.925 3.710     .  0 0 "[    .    1    .    2]" 1 
       680 1 71 LYS H    1 72 ASN H    1.800 . 5.000 4.493 4.304 4.554     .  0 0 "[    .    1    .    2]" 1 
       681 1 72 ASN HA   1 73 LEU H    1.800 . 3.500 2.156 2.127 2.185     .  0 0 "[    .    1    .    2]" 1 
       682 1 73 LEU HA   1 74 PRO QD   1.800 . 3.500 1.869 1.788 2.011 0.012 13 0 "[    .    1    .    2]" 1 
       683 1 74 PRO HA   1 75 LYS H    1.800 . 3.500 2.236 2.131 2.619     .  0 0 "[    .    1    .    2]" 1 
       684 1 74 PRO QD   1 75 LYS H    1.800 . 5.000 4.801 4.452 4.974     .  0 0 "[    .    1    .    2]" 1 
       685 1 75 LYS HA   1 76 ASP H    1.800 . 3.500 2.909 2.142 3.524 0.024 15 0 "[    .    1    .    2]" 1 
       686 1 75 LYS QG   1 76 ASP H    1.800 . 5.000 3.138 1.793 4.450 0.007  3 0 "[    .    1    .    2]" 1 
       687 1 75 LYS H    1 76 ASP H    1.800 . 5.000 3.383 1.988 4.619     .  0 0 "[    .    1    .    2]" 1 
       688 1 76 ASP HA   1 77 SER H    1.800 . 3.500 2.421 2.126 3.213     .  0 0 "[    .    1    .    2]" 1 
       689 1 77 SER HA   1 78 LEU H    1.800 . 3.500 2.494 2.144 3.509 0.009  8 0 "[    .    1    .    2]" 1 
       690 1 78 LEU HA   1 79 GLU H    1.800 . 3.500 2.588 2.131 3.507 0.007  4 0 "[    .    1    .    2]" 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              28
    _Distance_constraint_stats_list.Viol_count                    64
    _Distance_constraint_stats_list.Viol_total                    5.775
    _Distance_constraint_stats_list.Viol_max                      0.014
    _Distance_constraint_stats_list.Viol_rms                      0.0018
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0005
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0045
    _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  4 ASP 0.037 0.010 16 0 "[    .    1    .    2]" 
       1  8 SER 0.093 0.010 20 0 "[    .    1    .    2]" 
       1 10 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 13 ARG 0.040 0.010 14 0 "[    .    1    .    2]" 
       1 21 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 23 VAL 0.093 0.010 20 0 "[    .    1    .    2]" 
       1 24 LYS 0.040 0.008  8 0 "[    .    1    .    2]" 
       1 29 VAL 0.037 0.010 16 0 "[    .    1    .    2]" 
       1 34 TRP 0.019 0.009 10 0 "[    .    1    .    2]" 
       1 35 ILE 0.010 0.005  9 0 "[    .    1    .    2]" 
       1 36 ASP 0.030 0.014 16 0 "[    .    1    .    2]" 
       1 37 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 38 SER 0.027 0.009 10 0 "[    .    1    .    2]" 
       1 39 ASN 0.010 0.005  9 0 "[    .    1    .    2]" 
       1 40 VAL 0.030 0.014 16 0 "[    .    1    .    2]" 
       1 41 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 42 SER 0.008 0.004 20 0 "[    .    1    .    2]" 
       1 46 VAL 0.040 0.010 14 0 "[    .    1    .    2]" 
       1 54 ASN 0.011 0.004  6 0 "[    .    1    .    2]" 
       1 68 ILE 0.040 0.008  8 0 "[    .    1    .    2]" 
       1 69 CYS 0.011 0.004  6 0 "[    .    1    .    2]" 
    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  8 SER H 1 23 VAL O 1.800     . 2.300 1.990 1.845 2.211     .  0 0 "[    .    1    .    2]" 2 
        2 1  8 SER N 1 23 VAL O 2.700 2.700 3.300 2.927 2.792 3.086     .  0 0 "[    .    1    .    2]" 2 
        3 1  8 SER O 1 23 VAL H 1.800     . 2.300 1.799 1.790 1.842 0.010 20 0 "[    .    1    .    2]" 2 
        4 1  8 SER O 1 23 VAL N 2.700 2.700 3.300 2.731 2.700 2.802 0.000 11 0 "[    .    1    .    2]" 2 
        5 1 10 VAL H 1 21 VAL O 1.800     . 2.300 1.955 1.838 2.123     .  0 0 "[    .    1    .    2]" 2 
        6 1 10 VAL N 1 21 VAL O 2.700 2.700 3.300 2.924 2.816 3.093     .  0 0 "[    .    1    .    2]" 2 
        7 1 10 VAL O 1 21 VAL H 1.800     . 2.300 1.986 1.804 2.272     .  0 0 "[    .    1    .    2]" 2 
        8 1 10 VAL O 1 21 VAL N 2.700 2.700 3.300 2.938 2.756 3.238     .  0 0 "[    .    1    .    2]" 2 
        9 1 24 LYS H 1 68 ILE O 1.800     . 2.300 1.822 1.792 1.916 0.008  8 0 "[    .    1    .    2]" 2 
       10 1 24 LYS N 1 68 ILE O 2.700 2.700 3.300 2.769 2.716 2.878     .  0 0 "[    .    1    .    2]" 2 
       11 1 24 LYS O 1 68 ILE H 1.800     . 2.300 2.008 1.797 2.221 0.003  1 0 "[    .    1    .    2]" 2 
       12 1 24 LYS O 1 68 ILE N 2.700 2.700 3.300 2.904 2.702 3.064     .  0 0 "[    .    1    .    2]" 2 
       13 1 13 ARG H 1 46 VAL O 1.800     . 2.300 1.894 1.790 2.197 0.010 14 0 "[    .    1    .    2]" 2 
       14 1 13 ARG N 1 46 VAL O 2.700 2.700 3.300 2.826 2.700 3.089 0.000  1 0 "[    .    1    .    2]" 2 
       15 1  4 ASP O 1 29 VAL H 1.800     . 2.300 1.866 1.790 2.071 0.010 16 0 "[    .    1    .    2]" 2 
       16 1  4 ASP O 1 29 VAL N 2.700 2.700 3.300 2.778 2.692 2.945 0.008  6 0 "[    .    1    .    2]" 2 
       17 1 54 ASN O 1 69 CYS H 1.800     . 2.300 1.928 1.796 2.120 0.004  6 0 "[    .    1    .    2]" 2 
       18 1 54 ASN O 1 69 CYS N 2.700 2.700 3.300 2.828 2.710 3.038     .  0 0 "[    .    1    .    2]" 2 
       19 1 34 TRP O 1 38 SER H 1.800     . 2.300 2.106 1.875 2.309 0.009 10 0 "[    .    1    .    2]" 2 
       20 1 34 TRP O 1 38 SER N 2.700 2.700 3.300 3.036 2.800 3.274     .  0 0 "[    .    1    .    2]" 2 
       21 1 35 ILE O 1 39 ASN H 1.800     . 2.300 2.102 1.917 2.305 0.005  9 0 "[    .    1    .    2]" 2 
       22 1 35 ILE O 1 39 ASN N 2.700 2.700 3.300 2.980 2.805 3.226     .  0 0 "[    .    1    .    2]" 2 
       23 1 36 ASP O 1 40 VAL H 1.800     . 2.300 2.202 1.865 2.314 0.014 16 0 "[    .    1    .    2]" 2 
       24 1 36 ASP O 1 40 VAL N 2.700 2.700 3.300 3.105 2.825 3.255     .  0 0 "[    .    1    .    2]" 2 
       25 1 37 PHE O 1 41 LEU H 1.800     . 2.300 1.974 1.800 2.271     .  0 0 "[    .    1    .    2]" 2 
       26 1 37 PHE O 1 41 LEU N 2.700 2.700 3.300 2.924 2.749 3.187     .  0 0 "[    .    1    .    2]" 2 
       27 1 38 SER O 1 42 SER H 1.800     . 2.300 2.125 1.840 2.304 0.004 20 0 "[    .    1    .    2]" 2 
       28 1 38 SER O 1 42 SER N 2.700 2.700 3.300 2.941 2.720 3.225     .  0 0 "[    .    1    .    2]" 2 
    stop_

save_



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