NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing in_recoord stage program type subtype subsubtype
381884 1j8c cing recoord 4-filtered-FRED Wattos check violation distance


data_1j8c


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              721
    _Distance_constraint_stats_list.Viol_count                    950
    _Distance_constraint_stats_list.Viol_total                    1571.931
    _Distance_constraint_stats_list.Viol_max                      1.542
    _Distance_constraint_stats_list.Viol_rms                      0.0481
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0055
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0827
    _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  30 PRO  4.627 0.280  1  0 "[    .    1    .    2]" 
       1  31 LYS  0.620 0.063 20  0 "[    .    1    .    2]" 
       1  32 ILE 15.510 1.542 13  7 "[    .* * -  + *  **2]" 
       1  33 ILE  7.174 0.185  9  0 "[    .    1    .    2]" 
       1  34 LYS 10.003 1.542 13  7 "[    .* * -  + *  **2]" 
       1  35 VAL  0.141 0.084  3  0 "[    .    1    .    2]" 
       1  36 THR  0.417 0.084  3  0 "[    .    1    .    2]" 
       1  37 VAL  0.528 0.037 12  0 "[    .    1    .    2]" 
       1  38 LYS  0.002 0.002  5  0 "[    .    1    .    2]" 
       1  39 THR  0.763 0.060 17  0 "[    .    1    .    2]" 
       1  40 PRO  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  41 LYS  0.085 0.049 17  0 "[    .    1    .    2]" 
       1  42 GLU  0.087 0.049 17  0 "[    .    1    .    2]" 
       1  43 LYS  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  44 GLU  0.247 0.037  8  0 "[    .    1    .    2]" 
       1  45 GLU  0.011 0.011 14  0 "[    .    1    .    2]" 
       1  46 PHE  1.898 0.105 11  0 "[    .    1    .    2]" 
       1  47 ALA  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  48 VAL  3.750 0.208 11  0 "[    .    1    .    2]" 
       1  49 PRO  8.445 0.442  1  0 "[    .    1    .    2]" 
       1  50 GLU 10.119 0.442  1  0 "[    .    1    .    2]" 
       1  51 ASN  0.992 0.128  1  0 "[    .    1    .    2]" 
       1  52 SER 21.399 1.329 20 20  [****************-**+]  
       1  53 SER  0.328 0.046  2  0 "[    .    1    .    2]" 
       1  54 VAL 22.158 1.329 20 20  [****************-**+]  
       1  55 GLN  0.019 0.019 19  0 "[    .    1    .    2]" 
       1  56 GLN  0.247 0.046  2  0 "[    .    1    .    2]" 
       1  57 PHE  0.087 0.051 10  0 "[    .    1    .    2]" 
       1  58 LYS  3.093 0.182  3  0 "[    .    1    .    2]" 
       1  59 GLU  0.005 0.005  8  0 "[    .    1    .    2]" 
       1  60 ALA  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  61 ILE  1.098 0.060 17  0 "[    .    1    .    2]" 
       1  62 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  63 LYS  0.095 0.023 17  0 "[    .    1    .    2]" 
       1  64 ARG  0.143 0.024 14  0 "[    .    1    .    2]" 
       1  65 PHE  0.322 0.035 17  0 "[    .    1    .    2]" 
       1  66 LYS  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  67 SER  0.147 0.023 17  0 "[    .    1    .    2]" 
       1  68 GLN  0.079 0.048  8  0 "[    .    1    .    2]" 
       1  69 THR  0.067 0.027  8  0 "[    .    1    .    2]" 
       1  70 ASP  0.017 0.014  8  0 "[    .    1    .    2]" 
       1  71 GLN  0.123 0.048  8  0 "[    .    1    .    2]" 
       1  72 LEU  0.083 0.022  8  0 "[    .    1    .    2]" 
       1  73 VAL  0.162 0.055 13  0 "[    .    1    .    2]" 
       1  74 LEU  1.223 0.093 20  0 "[    .    1    .    2]" 
       1  75 ILE  0.921 0.089 17  0 "[    .    1    .    2]" 
       1  76 PHE  2.408 0.093 20  0 "[    .    1    .    2]" 
       1  77 ALA  0.011 0.011 11  0 "[    .    1    .    2]" 
       1  78 GLY  0.168 0.030  4  0 "[    .    1    .    2]" 
       1  79 LYS  0.061 0.016 11  0 "[    .    1    .    2]" 
       1  80 ILE  1.539 0.253  3  0 "[    .    1    .    2]" 
       1  81 LEU  1.922 0.123  5  0 "[    .    1    .    2]" 
       1  82 LYS  0.410 0.094 20  0 "[    .    1    .    2]" 
       1  83 ASP  0.033 0.020 10  0 "[    .    1    .    2]" 
       1  84 GLN  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  85 ASP  0.597 0.135 16  0 "[    .    1    .    2]" 
       1  86 THR  1.006 0.199 19  0 "[    .    1    .    2]" 
       1  87 LEU  7.696 0.487  8  0 "[    .    1    .    2]" 
       1  88 ILE  2.479 0.199 19  0 "[    .    1    .    2]" 
       1  89 GLN  0.750 0.067 16  0 "[    .    1    .    2]" 
       1  90 HIS  4.706 0.175  2  0 "[    .    1    .    2]" 
       1  91 GLY  0.392 0.060  4  0 "[    .    1    .    2]" 
       1  92 ILE  5.480 0.185  9  0 "[    .    1    .    2]" 
       1  93 HIS  0.216 0.037  9  0 "[    .    1    .    2]" 
       1  94 ASP  1.798 0.092 19  0 "[    .    1    .    2]" 
       1  95 GLY  0.059 0.018 15  0 "[    .    1    .    2]" 
       1  96 LEU  1.060 0.102  3  0 "[    .    1    .    2]" 
       1  97 THR  0.046 0.023  1  0 "[    .    1    .    2]" 
       1  98 VAL  0.910 0.085  5  0 "[    .    1    .    2]" 
       1  99 HIS  0.947 0.089 17  0 "[    .    1    .    2]" 
       1 100 LEU  0.131 0.028 13  0 "[    .    1    .    2]" 
       1 101 VAL  0.137 0.055 13  0 "[    .    1    .    2]" 
       1 102 ILE  0.539 0.046 13  0 "[    .    1    .    2]" 
       1 103 LYS  0.000 0.000  .  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  30 PRO HA  1  32 ILE HA  4.000 . 4.500 4.729 4.653 4.780 0.280  1  0 "[    .    1    .    2]" 1 
         2 1  30 PRO HA  1  32 ILE MD  3.000 . 3.500 2.810 2.196 3.541 0.041 16  0 "[    .    1    .    2]" 1 
         3 1  31 LYS H   1  31 LYS QG  4.000 . 4.500 3.063 2.387 4.210     .  0  0 "[    .    1    .    2]" 1 
         4 1  31 LYS H   1  32 ILE H   5.000 . 5.500 3.272 2.795 3.765     .  0  0 "[    .    1    .    2]" 1 
         5 1  31 LYS H   1  49 PRO QB  5.000 . 5.500 5.173 4.546 5.563 0.063 20  0 "[    .    1    .    2]" 1 
         6 1  31 LYS H   1  50 GLU H   5.000 . 5.500 4.621 3.442 5.360     .  0  0 "[    .    1    .    2]" 1 
         7 1  31 LYS H   1  50 GLU QB  5.000 . 5.500 4.282 2.656 5.532 0.032  5  0 "[    .    1    .    2]" 1 
         8 1  31 LYS H   1  50 GLU QG  5.000 . 5.500 4.641 2.983 5.528 0.028  7  0 "[    .    1    .    2]" 1 
         9 1  31 LYS HA  1  31 LYS QG  3.000 . 3.500 2.140 1.966 2.358     .  0  0 "[    .    1    .    2]" 1 
        10 1  31 LYS HA  1  32 ILE H   4.000 . 4.500 2.679 2.518 2.881     .  0  0 "[    .    1    .    2]" 1 
        11 1  31 LYS QB  1  32 ILE H   4.000 . 4.500 3.880 3.786 4.004     .  0  0 "[    .    1    .    2]" 1 
        12 1  31 LYS QG  1  32 ILE H   4.000 . 4.500 4.409 4.005 4.534 0.034 14  0 "[    .    1    .    2]" 1 
        13 1  32 ILE H   1  32 ILE HB  4.000 . 4.500 2.305 2.059 2.422     .  0  0 "[    .    1    .    2]" 1 
        14 1  32 ILE H   1  32 ILE MG  4.000 . 4.500 3.630 2.591 3.705     .  0  0 "[    .    1    .    2]" 1 
        15 1  32 ILE H   1  33 ILE H   5.000 . 5.500 4.493 4.331 4.652     .  0  0 "[    .    1    .    2]" 1 
        16 1  32 ILE HA  1  32 ILE MD  3.000 . 3.500 3.038 1.935 3.538 0.038 10  0 "[    .    1    .    2]" 1 
        17 1  32 ILE HA  1  32 ILE MG  3.000 . 3.500 2.481 2.367 3.178     .  0  0 "[    .    1    .    2]" 1 
        18 1  32 ILE HA  1  33 ILE H   4.000 . 4.500 2.246 2.205 2.313     .  0  0 "[    .    1    .    2]" 1 
        19 1  32 ILE HB  1  33 ILE H   5.000 . 5.500 4.439 4.135 4.630     .  0  0 "[    .    1    .    2]" 1 
        20 1  32 ILE MD  1  48 VAL HA  5.000 . 5.500 4.918 2.358 5.533 0.033 18  0 "[    .    1    .    2]" 1 
        21 1  32 ILE QG  1  32 ILE MG  3.000 . 3.500 2.040 1.882 2.376     .  0  0 "[    .    1    .    2]" 1 
        22 1  32 ILE QG  1  33 ILE H   4.000 . 4.500 4.196 2.766 4.633 0.133 12  0 "[    .    1    .    2]" 1 
        23 1  32 ILE MG  1  33 ILE H   4.000 . 4.500 3.012 2.426 3.677     .  0  0 "[    .    1    .    2]" 1 
        24 1  32 ILE MG  1  34 LYS QG  3.000 . 3.500 3.986 3.303 5.042 1.542 13  7 "[    .* * -  + *  **2]" 1 
        25 1  32 ILE MG  1  47 ALA HA  4.000 . 4.500 2.932 2.597 3.960     .  0  0 "[    .    1    .    2]" 1 
        26 1  33 ILE H   1  33 ILE MD  5.000 . 5.500 3.362 3.059 3.647     .  0  0 "[    .    1    .    2]" 1 
        27 1  33 ILE H   1  33 ILE MG  4.000 . 4.500 2.219 1.942 2.562     .  0  0 "[    .    1    .    2]" 1 
        28 1  33 ILE H   1  48 VAL H   5.000 . 5.500 3.387 2.813 3.876     .  0  0 "[    .    1    .    2]" 1 
        29 1  33 ILE H   1  48 VAL QG  5.000 . 5.500 3.027 2.677 3.506     .  0  0 "[    .    1    .    2]" 1 
        30 1  33 ILE H   1  50 GLU H   5.000 . 5.500 3.101 2.623 3.698     .  0  0 "[    .    1    .    2]" 1 
        31 1  33 ILE HA  1  33 ILE HB  3.000 . 3.500 2.419 2.387 2.442     .  0  0 "[    .    1    .    2]" 1 
        32 1  33 ILE HA  1  33 ILE MD  3.500 . 4.000 4.120 4.106 4.136 0.136 20  0 "[    .    1    .    2]" 1 
        33 1  33 ILE HA  1  33 ILE MG  3.000 . 3.500 2.367 2.312 2.440     .  0  0 "[    .    1    .    2]" 1 
        34 1  33 ILE HA  1  34 LYS H   3.000 . 3.500 2.362 2.274 2.531     .  0  0 "[    .    1    .    2]" 1 
        35 1  33 ILE HA  1  95 GLY H   5.000 . 5.500 5.286 4.267 5.518 0.018 15  0 "[    .    1    .    2]" 1 
        36 1  33 ILE HB  1  94 ASP HA  3.000 . 3.500 2.719 2.577 2.938     .  0  0 "[    .    1    .    2]" 1 
        37 1  33 ILE HB  1  94 ASP QB  4.000 . 4.500 4.535 4.501 4.592 0.092 19  0 "[    .    1    .    2]" 1 
        38 1  33 ILE MD  1  33 ILE MG  3.000 . 3.500 1.874 1.780 2.039 0.020  7  0 "[    .    1    .    2]" 1 
        39 1  33 ILE MD  1  34 LYS H   5.000 . 5.500 4.665 4.414 4.918     .  0  0 "[    .    1    .    2]" 1 
        40 1  33 ILE MD  1  50 GLU H   5.000 . 5.500 4.123 3.641 4.733     .  0  0 "[    .    1    .    2]" 1 
        41 1  33 ILE MD  1  87 LEU HA  4.000 . 4.500 4.502 4.312 4.664 0.164  1  0 "[    .    1    .    2]" 1 
        42 1  33 ILE MD  1  93 HIS HA  4.000 . 4.500 4.317 3.932 4.537 0.037  9  0 "[    .    1    .    2]" 1 
        43 1  33 ILE MD  1  94 ASP HA  4.000 . 4.500 4.383 4.066 4.537 0.037 19  0 "[    .    1    .    2]" 1 
        44 1  33 ILE QG  1  92 ILE H   5.000 . 5.500 5.582 5.465 5.685 0.185  9  0 "[    .    1    .    2]" 1 
        45 1  33 ILE QG  1  94 ASP H   5.000 . 5.500 5.529 5.414 5.558 0.058  1  0 "[    .    1    .    2]" 1 
        46 1  33 ILE MG  1  34 LYS H   5.000 . 5.500 4.010 3.839 4.152     .  0  0 "[    .    1    .    2]" 1 
        47 1  33 ILE MG  1  50 GLU H   5.000 . 5.500 3.061 2.606 3.393     .  0  0 "[    .    1    .    2]" 1 
        48 1  33 ILE MG  1  51 ASN H   5.000 . 5.500 5.067 4.663 5.487     .  0  0 "[    .    1    .    2]" 1 
        49 1  33 ILE MG  1  93 HIS HA  5.000 . 5.500 4.660 3.897 5.017     .  0  0 "[    .    1    .    2]" 1 
        50 1  33 ILE MG  1  94 ASP H   5.000 . 5.500 5.119 4.304 5.382     .  0  0 "[    .    1    .    2]" 1 
        51 1  33 ILE MG  1  94 ASP HA  4.000 . 4.500 3.491 2.613 3.731     .  0  0 "[    .    1    .    2]" 1 
        52 1  33 ILE MG  1  94 ASP QB  4.000 . 4.500 4.365 3.804 4.518 0.018 10  0 "[    .    1    .    2]" 1 
        53 1  33 ILE MG  1  95 GLY H   5.000 . 5.500 5.183 4.505 5.437     .  0  0 "[    .    1    .    2]" 1 
        54 1  34 LYS H   1  34 LYS QB  3.000 . 3.500 2.162 2.034 2.333     .  0  0 "[    .    1    .    2]" 1 
        55 1  34 LYS H   1  94 ASP HA  5.000 . 5.500 3.186 2.828 3.465     .  0  0 "[    .    1    .    2]" 1 
        56 1  34 LYS H   1  94 ASP QB  5.000 . 5.500 4.844 4.474 5.091     .  0  0 "[    .    1    .    2]" 1 
        57 1  34 LYS H   1  95 GLY H   5.000 . 5.500 3.662 3.134 4.002     .  0  0 "[    .    1    .    2]" 1 
        58 1  34 LYS HA  1  35 VAL H   3.000 . 3.500 2.262 2.220 2.275     .  0  0 "[    .    1    .    2]" 1 
        59 1  34 LYS QB  1  35 VAL H   5.000 . 5.500 3.131 2.993 3.587     .  0  0 "[    .    1    .    2]" 1 
        60 1  34 LYS QB  1  94 ASP H   5.000 . 5.500 5.351 4.870 5.521 0.021  2  0 "[    .    1    .    2]" 1 
        61 1  34 LYS QB  1  95 GLY H   4.000 . 4.500 3.778 3.347 4.051     .  0  0 "[    .    1    .    2]" 1 
        62 1  34 LYS QG  1  35 VAL H   5.000 . 5.500 3.743 2.523 4.531     .  0  0 "[    .    1    .    2]" 1 
        63 1  35 VAL H   1  35 VAL HB  4.000 . 4.500 3.056 2.574 3.852     .  0  0 "[    .    1    .    2]" 1 
        64 1  35 VAL H   1  35 VAL QG  4.000 . 4.500 2.225 1.882 2.814     .  0  0 "[    .    1    .    2]" 1 
        65 1  35 VAL H   1  36 THR H   5.000 . 5.500 4.171 4.089 4.379     .  0  0 "[    .    1    .    2]" 1 
        66 1  35 VAL H   1  45 GLU QG  5.000 . 5.500 3.665 2.358 4.889     .  0  0 "[    .    1    .    2]" 1 
        67 1  35 VAL H   1  46 PHE H   5.000 . 5.500 2.601 2.245 2.891     .  0  0 "[    .    1    .    2]" 1 
        68 1  35 VAL H   1  46 PHE QB  5.000 . 5.500 3.868 3.628 4.186     .  0  0 "[    .    1    .    2]" 1 
        69 1  35 VAL HA  1  35 VAL QG  3.000 . 3.500 2.215 2.028 2.355     .  0  0 "[    .    1    .    2]" 1 
        70 1  35 VAL HA  1  36 THR H   3.000 . 3.500 2.221 2.201 2.254     .  0  0 "[    .    1    .    2]" 1 
        71 1  35 VAL HA  1  95 GLY H   5.000 . 5.500 4.397 3.861 4.989     .  0  0 "[    .    1    .    2]" 1 
        72 1  35 VAL HB  1  57 PHE QE  5.500 . 6.000 4.344 3.269 5.483     .  0  0 "[    .    1    .    2]" 1 
        73 1  35 VAL HB  1  57 PHE HZ  5.500 . 6.000 4.386 2.940 5.867     .  0  0 "[    .    1    .    2]" 1 
        74 1  35 VAL QG  1  36 THR H   3.000 . 3.500 3.071 2.850 3.584 0.084  3  0 "[    .    1    .    2]" 1 
        75 1  35 VAL QG  1  37 VAL H   5.000 . 5.500 3.766 3.421 4.162     .  0  0 "[    .    1    .    2]" 1 
        76 1  35 VAL QG  1  57 PHE QE  4.000 . 4.500 2.637 2.065 3.581     .  0  0 "[    .    1    .    2]" 1 
        77 1  35 VAL QG  1  57 PHE HZ  4.500 . 5.000 2.482 1.822 3.513     .  0  0 "[    .    1    .    2]" 1 
        78 1  35 VAL QG  1  95 GLY H   5.000 . 5.500 4.688 3.680 5.489     .  0  0 "[    .    1    .    2]" 1 
        79 1  36 THR H   1  36 THR HB  4.000 . 4.500 2.587 2.405 2.844     .  0  0 "[    .    1    .    2]" 1 
        80 1  36 THR H   1  37 VAL H   5.000 . 5.500 4.321 4.180 4.417     .  0  0 "[    .    1    .    2]" 1 
        81 1  36 THR H   1  97 THR HA  5.000 . 5.500 3.407 2.795 3.939     .  0  0 "[    .    1    .    2]" 1 
        82 1  36 THR H   1  98 VAL H   5.000 . 5.500 4.672 4.227 5.047     .  0  0 "[    .    1    .    2]" 1 
        83 1  36 THR HA  1  36 THR HG1 3.000 . 3.500 2.135 1.992 2.272     .  0  0 "[    .    1    .    2]" 1 
        84 1  36 THR HA  1  36 THR MG  3.000 . 3.500 2.203 2.065 2.361     .  0  0 "[    .    1    .    2]" 1 
        85 1  36 THR HA  1  45 GLU QB  4.000 . 4.500 3.634 2.563 4.139     .  0  0 "[    .    1    .    2]" 1 
        86 1  36 THR HA  1  45 GLU QG  4.000 . 4.500 2.442 1.963 4.511 0.011 14  0 "[    .    1    .    2]" 1 
        87 1  36 THR HA  1  98 VAL H   5.000 . 5.500 5.475 5.303 5.548 0.048 19  0 "[    .    1    .    2]" 1 
        88 1  36 THR HB  1  97 THR HA  3.000 . 3.500 1.977 1.876 2.127     .  0  0 "[    .    1    .    2]" 1 
        89 1  36 THR HB  1  97 THR HG1 4.000 . 4.500 2.692 2.103 4.088     .  0  0 "[    .    1    .    2]" 1 
        90 1  36 THR HB  1  98 VAL H   5.000 . 5.500 3.558 3.116 3.979     .  0  0 "[    .    1    .    2]" 1 
        91 1  36 THR HG1 1  37 VAL H   5.000 . 5.500 3.222 2.880 3.472     .  0  0 "[    .    1    .    2]" 1 
        92 1  36 THR HG1 1  38 LYS H   5.000 . 5.500 4.720 4.491 5.157     .  0  0 "[    .    1    .    2]" 1 
        93 1  36 THR HG1 1  44 GLU H   5.000 . 5.500 4.188 3.483 4.672     .  0  0 "[    .    1    .    2]" 1 
        94 1  36 THR HG1 1  45 GLU HA  4.000 . 4.500 3.332 2.797 3.715     .  0  0 "[    .    1    .    2]" 1 
        95 1  36 THR HG1 1  46 PHE H   5.000 . 5.500 4.786 4.134 5.201     .  0  0 "[    .    1    .    2]" 1 
        96 1  36 THR HG1 1  98 VAL H   5.000 . 5.500 4.100 3.684 4.368     .  0  0 "[    .    1    .    2]" 1 
        97 1  36 THR MG  1  97 THR HA  4.000 . 4.500 3.373 3.002 3.739     .  0  0 "[    .    1    .    2]" 1 
        98 1  37 VAL H   1  38 LYS H   5.000 . 5.500 4.505 4.470 4.525     .  0  0 "[    .    1    .    2]" 1 
        99 1  37 VAL H   1  44 GLU H   5.000 . 5.500 3.697 3.115 4.043     .  0  0 "[    .    1    .    2]" 1 
       100 1  37 VAL H   1  45 GLU HA  5.000 . 5.500 2.831 2.409 3.427     .  0  0 "[    .    1    .    2]" 1 
       101 1  37 VAL H   1  46 PHE H   5.000 . 5.500 4.124 3.780 4.647     .  0  0 "[    .    1    .    2]" 1 
       102 1  37 VAL H   1  46 PHE QD  5.000 . 5.500 3.850 3.573 3.980     .  0  0 "[    .    1    .    2]" 1 
       103 1  37 VAL H   1  46 PHE QE  5.000 . 5.500 5.447 5.274 5.527 0.027  4  0 "[    .    1    .    2]" 1 
       104 1  37 VAL HA  1  37 VAL QG  3.000 . 3.500 2.086 2.028 2.344     .  0  0 "[    .    1    .    2]" 1 
       105 1  37 VAL HA  1  38 LYS H   3.000 . 3.500 2.211 2.205 2.218     .  0  0 "[    .    1    .    2]" 1 
       106 1  37 VAL HA  1  44 GLU H   5.000 . 5.500 5.305 4.950 5.477     .  0  0 "[    .    1    .    2]" 1 
       107 1  37 VAL HB  1  38 LYS H   5.000 . 5.500 4.208 3.400 4.264     .  0  0 "[    .    1    .    2]" 1 
       108 1  37 VAL HB  1  46 PHE QD  4.000 . 4.500 3.427 2.824 4.511 0.011 18  0 "[    .    1    .    2]" 1 
       109 1  37 VAL HB  1  46 PHE QE  4.500 . 5.000 4.164 3.732 4.912     .  0  0 "[    .    1    .    2]" 1 
       110 1  37 VAL HB  1  65 PHE QE  3.000 . 3.500 3.510 3.442 3.535 0.035 17  0 "[    .    1    .    2]" 1 
       111 1  37 VAL QG  1  38 LYS H   4.000 . 4.500 2.719 2.489 3.606     .  0  0 "[    .    1    .    2]" 1 
       112 1  37 VAL QG  1  39 THR H   5.000 . 5.500 4.223 4.106 4.481     .  0  0 "[    .    1    .    2]" 1 
       113 1  37 VAL QG  1  39 THR HG1 4.000 . 4.500 2.358 2.126 2.924     .  0  0 "[    .    1    .    2]" 1 
       114 1  37 VAL QG  1  46 PHE H   5.000 . 5.500 3.718 3.241 4.299     .  0  0 "[    .    1    .    2]" 1 
       115 1  37 VAL QG  1  46 PHE QD  4.500 . 5.000 2.798 1.994 3.363     .  0  0 "[    .    1    .    2]" 1 
       116 1  37 VAL QG  1  46 PHE QE  5.500 . 6.000 3.835 2.653 4.325     .  0  0 "[    .    1    .    2]" 1 
       117 1  37 VAL QG  1  57 PHE QE  4.500 . 5.000 2.786 2.337 3.390     .  0  0 "[    .    1    .    2]" 1 
       118 1  37 VAL QG  1  57 PHE HZ  4.500 . 5.000 2.152 1.804 3.217     .  0  0 "[    .    1    .    2]" 1 
       119 1  37 VAL QG  1  61 ILE MD  3.000 . 3.500 2.117 1.763 3.064 0.037 12  0 "[    .    1    .    2]" 1 
       120 1  37 VAL QG  1  65 PHE QE  5.500 . 6.000 3.079 2.695 3.468     .  0  0 "[    .    1    .    2]" 1 
       121 1  37 VAL QG  1  65 PHE HZ  5.500 . 6.000 4.069 1.990 4.655     .  0  0 "[    .    1    .    2]" 1 
       122 1  37 VAL QG  1 100 LEU QD  4.000 . 4.500 2.038 1.780 3.596 0.020 13  0 "[    .    1    .    2]" 1 
       123 1  38 LYS H   1  38 LYS QG  4.000 . 4.500 3.381 1.908 4.014     .  0  0 "[    .    1    .    2]" 1 
       124 1  38 LYS H   1  39 THR H   5.000 . 5.500 4.426 4.373 4.477     .  0  0 "[    .    1    .    2]" 1 
       125 1  38 LYS H   1  98 VAL H   5.000 . 5.500 3.767 3.285 4.346     .  0  0 "[    .    1    .    2]" 1 
       126 1  38 LYS H   1 100 LEU H   5.000 . 5.500 3.535 2.894 4.130     .  0  0 "[    .    1    .    2]" 1 
       127 1  38 LYS HA  1  44 GLU H   5.000 . 5.500 3.862 3.604 4.175     .  0  0 "[    .    1    .    2]" 1 
       128 1  38 LYS QB  1  39 THR H   5.000 . 5.500 3.616 3.370 3.855     .  0  0 "[    .    1    .    2]" 1 
       129 1  38 LYS QG  1  39 THR H   5.000 . 5.500 3.652 2.827 4.356     .  0  0 "[    .    1    .    2]" 1 
       130 1  38 LYS QG  1  98 VAL H   5.000 . 5.500 4.631 2.757 5.502 0.002  5  0 "[    .    1    .    2]" 1 
       131 1  39 THR H   1  39 THR HA  3.000 . 3.500 3.003 3.000 3.004     .  0  0 "[    .    1    .    2]" 1 
       132 1  39 THR H   1  42 GLU H   5.000 . 5.500 3.499 3.328 3.589     .  0  0 "[    .    1    .    2]" 1 
       133 1  39 THR H   1  43 LYS HA  5.000 . 5.500 3.130 2.693 3.401     .  0  0 "[    .    1    .    2]" 1 
       134 1  39 THR H   1  44 GLU H   5.000 . 5.500 4.473 4.104 4.845     .  0  0 "[    .    1    .    2]" 1 
       135 1  39 THR HA  1  39 THR HB  3.000 . 3.500 2.601 2.426 2.794     .  0  0 "[    .    1    .    2]" 1 
       136 1  39 THR HA  1  39 THR HG1 3.000 . 3.500 2.158 2.013 2.366     .  0  0 "[    .    1    .    2]" 1 
       137 1  39 THR HA  1  39 THR MG  3.000 . 3.500 2.175 2.019 2.402     .  0  0 "[    .    1    .    2]" 1 
       138 1  39 THR HA  1  40 PRO QD  3.000 . 3.500 2.233 2.154 2.312     .  0  0 "[    .    1    .    2]" 1 
       139 1  39 THR HA  1  42 GLU H   5.000 . 5.500 4.978 4.680 5.212     .  0  0 "[    .    1    .    2]" 1 
       140 1  39 THR HB  1  40 PRO QD  4.000 . 4.500 1.890 1.804 1.960     .  0  0 "[    .    1    .    2]" 1 
       141 1  39 THR HG1 1  42 GLU H   5.000 . 5.500 2.574 1.995 4.193     .  0  0 "[    .    1    .    2]" 1 
       142 1  39 THR HG1 1 100 LEU H   5.000 . 5.500 4.254 3.852 4.629     .  0  0 "[    .    1    .    2]" 1 
       143 1  39 THR MG  1  61 ILE MD  3.000 . 3.500 3.530 3.400 3.560 0.060 17  0 "[    .    1    .    2]" 1 
       144 1  39 THR MG  1  65 PHE QD  5.000 . 5.500 3.421 2.640 3.770     .  0  0 "[    .    1    .    2]" 1 
       145 1  39 THR MG  1  65 PHE QE  4.500 . 5.000 2.600 1.858 3.073     .  0  0 "[    .    1    .    2]" 1 
       146 1  39 THR MG  1  65 PHE HZ  5.500 . 6.000 2.647 2.181 3.423     .  0  0 "[    .    1    .    2]" 1 
       147 1  40 PRO HA  1  41 LYS H   5.000 . 5.500 3.001 2.625 3.460     .  0  0 "[    .    1    .    2]" 1 
       148 1  40 PRO QB  1  41 LYS H   5.000 . 5.500 3.808 3.494 4.012     .  0  0 "[    .    1    .    2]" 1 
       149 1  40 PRO QD  1  41 LYS H   5.000 . 5.500 3.507 2.697 4.150     .  0  0 "[    .    1    .    2]" 1 
       150 1  41 LYS H   1  41 LYS QD  4.000 . 4.500 4.219 2.680 4.507 0.007  3  0 "[    .    1    .    2]" 1 
       151 1  41 LYS H   1  42 GLU H   4.000 . 4.500 2.211 1.975 2.443     .  0  0 "[    .    1    .    2]" 1 
       152 1  41 LYS H   1  42 GLU QB  5.000 . 5.500 4.712 4.443 5.153     .  0  0 "[    .    1    .    2]" 1 
       153 1  41 LYS H   1  42 GLU QG  5.000 . 5.500 4.852 3.866 5.549 0.049 17  0 "[    .    1    .    2]" 1 
       154 1  41 LYS HA  1  41 LYS QD  3.000 . 3.500 2.767 1.995 3.505 0.005  5  0 "[    .    1    .    2]" 1 
       155 1  41 LYS HA  1  41 LYS QG  3.000 . 3.500 2.187 1.937 2.857     .  0  0 "[    .    1    .    2]" 1 
       156 1  41 LYS HA  1  42 GLU H   5.000 . 5.500 3.575 3.552 3.589     .  0  0 "[    .    1    .    2]" 1 
       157 1  41 LYS QB  1  42 GLU H   5.000 . 5.500 2.451 2.253 2.605     .  0  0 "[    .    1    .    2]" 1 
       158 1  41 LYS QD  1  42 GLU H   5.000 . 5.500 4.500 3.509 5.007     .  0  0 "[    .    1    .    2]" 1 
       159 1  41 LYS QG  1  42 GLU H   5.000 . 5.500 4.179 3.636 4.439     .  0  0 "[    .    1    .    2]" 1 
       160 1  42 GLU H   1  43 LYS H   5.000 . 5.500 4.382 4.329 4.403     .  0  0 "[    .    1    .    2]" 1 
       161 1  42 GLU HA  1  43 LYS H   4.000 . 4.500 2.628 2.369 2.817     .  0  0 "[    .    1    .    2]" 1 
       162 1  42 GLU QB  1  43 LYS H   5.000 . 5.500 2.332 1.975 2.930     .  0  0 "[    .    1    .    2]" 1 
       163 1  42 GLU QB  1  65 PHE QE  4.500 . 5.000 4.577 3.226 5.011 0.011 11  0 "[    .    1    .    2]" 1 
       164 1  42 GLU QG  1  43 LYS H   5.000 . 5.500 3.078 2.062 3.637     .  0  0 "[    .    1    .    2]" 1 
       165 1  43 LYS H   1  44 GLU H   5.000 . 5.500 4.374 4.089 4.618     .  0  0 "[    .    1    .    2]" 1 
       166 1  43 LYS HA  1  44 GLU H   3.000 . 3.500 2.224 2.207 2.256     .  0  0 "[    .    1    .    2]" 1 
       167 1  43 LYS QB  1  44 GLU H   4.000 . 4.500 3.563 3.171 3.940     .  0  0 "[    .    1    .    2]" 1 
       168 1  43 LYS QE  1  43 LYS QG  3.000 . 3.500 2.111 1.950 2.335     .  0  0 "[    .    1    .    2]" 1 
       169 1  43 LYS QG  1  44 GLU H   5.000 . 5.500 3.619 2.535 4.355     .  0  0 "[    .    1    .    2]" 1 
       170 1  44 GLU H   1  65 PHE QE  5.000 . 5.500 4.277 3.477 5.045     .  0  0 "[    .    1    .    2]" 1 
       171 1  44 GLU H   1  65 PHE HZ  5.000 . 5.500 4.093 3.714 4.582     .  0  0 "[    .    1    .    2]" 1 
       172 1  44 GLU HA  1  45 GLU H   3.000 . 3.500 2.220 2.205 2.232     .  0  0 "[    .    1    .    2]" 1 
       173 1  44 GLU QB  1  45 GLU H   5.000 . 5.500 3.375 3.193 3.663     .  0  0 "[    .    1    .    2]" 1 
       174 1  44 GLU QB  1  46 PHE H   5.000 . 5.500 5.511 5.464 5.537 0.037  8  0 "[    .    1    .    2]" 1 
       175 1  45 GLU H   1  45 GLU QB  3.000 . 3.500 2.155 1.997 2.552     .  0  0 "[    .    1    .    2]" 1 
       176 1  45 GLU H   1  46 PHE H   5.000 . 5.500 4.641 4.620 4.667     .  0  0 "[    .    1    .    2]" 1 
       177 1  45 GLU HA  1  45 GLU QG  3.000 . 3.500 2.257 1.973 3.320     .  0  0 "[    .    1    .    2]" 1 
       178 1  45 GLU HA  1  46 PHE H   3.000 . 3.500 2.325 2.292 2.358     .  0  0 "[    .    1    .    2]" 1 
       179 1  45 GLU HA  1  46 PHE QD  5.500 . 6.000 3.734 3.202 4.239     .  0  0 "[    .    1    .    2]" 1 
       180 1  45 GLU QB  1  46 PHE H   4.000 . 4.500 3.123 2.824 3.594     .  0  0 "[    .    1    .    2]" 1 
       181 1  45 GLU QG  1  46 PHE H   5.000 . 5.500 3.291 2.234 4.085     .  0  0 "[    .    1    .    2]" 1 
       182 1  46 PHE H   1  46 PHE QD  4.000 . 4.500 3.400 2.978 3.748     .  0  0 "[    .    1    .    2]" 1 
       183 1  46 PHE H   1  47 ALA H   5.000 . 5.500 4.378 4.177 4.507     .  0  0 "[    .    1    .    2]" 1 
       184 1  46 PHE H   1  47 ALA MB  5.000 . 5.500 5.214 5.101 5.345     .  0  0 "[    .    1    .    2]" 1 
       185 1  46 PHE H   1  48 VAL QG  4.000 . 4.500 4.564 4.512 4.605 0.105 11  0 "[    .    1    .    2]" 1 
       186 1  46 PHE HA  1  46 PHE QD  4.000 . 4.500 2.898 2.580 2.983     .  0  0 "[    .    1    .    2]" 1 
       187 1  46 PHE QB  1  47 ALA H   4.000 . 4.500 3.311 2.971 3.727     .  0  0 "[    .    1    .    2]" 1 
       188 1  46 PHE QD  1  47 ALA H   5.000 . 5.500 3.634 2.890 4.214     .  0  0 "[    .    1    .    2]" 1 
       189 1  46 PHE QD  1  48 VAL HA  5.500 . 6.000 5.978 5.595 6.040 0.040 14  0 "[    .    1    .    2]" 1 
       190 1  46 PHE QD  1  48 VAL QG  5.500 . 6.000 3.420 2.645 3.767     .  0  0 "[    .    1    .    2]" 1 
       191 1  46 PHE QD  1  57 PHE QE  5.500 . 6.000 2.784 1.956 3.682     .  0  0 "[    .    1    .    2]" 1 
       192 1  46 PHE QD  1  57 PHE HZ  5.500 . 6.000 3.640 3.017 4.948     .  0  0 "[    .    1    .    2]" 1 
       193 1  46 PHE QD  1  61 ILE MG  5.500 . 6.000 5.677 4.858 6.015 0.015 11  0 "[    .    1    .    2]" 1 
       194 1  46 PHE QE  1  61 ILE HA  4.500 . 5.000 3.800 3.135 4.286     .  0  0 "[    .    1    .    2]" 1 
       195 1  46 PHE QE  1  64 ARG H   5.000 . 5.500 5.342 4.798 5.524 0.024 14  0 "[    .    1    .    2]" 1 
       196 1  46 PHE QE  1  64 ARG QB  5.500 . 6.000 3.541 2.960 4.050     .  0  0 "[    .    1    .    2]" 1 
       197 1  46 PHE HZ  1  61 ILE HA  4.500 . 5.000 3.414 2.552 4.039     .  0  0 "[    .    1    .    2]" 1 
       198 1  46 PHE HZ  1  64 ARG H   5.000 . 5.500 5.102 4.057 5.509 0.009  1  0 "[    .    1    .    2]" 1 
       199 1  46 PHE HZ  1  64 ARG QB  5.500 . 6.000 2.838 2.561 3.166     .  0  0 "[    .    1    .    2]" 1 
       200 1  46 PHE HZ  1  65 PHE QD  5.500 . 6.000 4.008 2.740 5.682     .  0  0 "[    .    1    .    2]" 1 
       201 1  47 ALA H   1  47 ALA MB  3.000 . 3.500 2.102 1.991 2.245     .  0  0 "[    .    1    .    2]" 1 
       202 1  47 ALA HA  1  48 VAL H   3.000 . 3.500 2.239 2.221 2.264     .  0  0 "[    .    1    .    2]" 1 
       203 1  47 ALA MB  1  48 VAL H   4.000 . 4.500 3.282 3.165 3.533     .  0  0 "[    .    1    .    2]" 1 
       204 1  48 VAL H   1  48 VAL QG  4.000 . 4.500 2.020 1.890 2.154     .  0  0 "[    .    1    .    2]" 1 
       205 1  48 VAL H   1  49 PRO QD  5.000 . 5.500 4.348 4.297 4.396     .  0  0 "[    .    1    .    2]" 1 
       206 1  48 VAL H   1  50 GLU H   5.000 . 5.500 5.535 4.306 5.708 0.208 11  0 "[    .    1    .    2]" 1 
       207 1  48 VAL HA  1  49 PRO QD  3.000 . 3.500 2.077 2.004 2.117     .  0  0 "[    .    1    .    2]" 1 
       208 1  48 VAL HB  1  49 PRO QD  4.000 . 4.500 2.330 2.089 2.561     .  0  0 "[    .    1    .    2]" 1 
       209 1  48 VAL QG  1  52 SER H   5.000 . 5.500 4.572 3.963 5.089     .  0  0 "[    .    1    .    2]" 1 
       210 1  48 VAL QG  1  57 PHE QD  4.500 . 5.000 2.547 1.934 3.169     .  0  0 "[    .    1    .    2]" 1 
       211 1  48 VAL QG  1  57 PHE QE  4.500 . 5.000 3.023 1.943 3.896     .  0  0 "[    .    1    .    2]" 1 
       212 1  48 VAL QG  1  57 PHE HZ  5.500 . 6.000 4.225 3.158 5.061     .  0  0 "[    .    1    .    2]" 1 
       213 1  49 PRO HA  1  49 PRO QG  3.000 . 3.500 3.503 3.496 3.515 0.015 12  0 "[    .    1    .    2]" 1 
       214 1  49 PRO QB  1  50 GLU H   5.000 . 5.500 3.472 3.321 4.019     .  0  0 "[    .    1    .    2]" 1 
       215 1  49 PRO QB  1  51 ASN H   5.000 . 5.500 2.876 2.512 3.776     .  0  0 "[    .    1    .    2]" 1 
       216 1  49 PRO QD  1  50 GLU H   4.000 . 4.500 4.864 3.915 4.942 0.442  1  0 "[    .    1    .    2]" 1 
       217 1  49 PRO QD  1  51 ASN H   5.000 . 5.500 5.386 5.025 5.535 0.035 17  0 "[    .    1    .    2]" 1 
       218 1  49 PRO QD  1  52 SER H   5.000 . 5.500 4.966 3.354 5.324     .  0  0 "[    .    1    .    2]" 1 
       219 1  49 PRO QG  1  51 ASN QD  5.000 . 5.500 4.684 3.739 5.490     .  0  0 "[    .    1    .    2]" 1 
       220 1  50 GLU H   1  51 ASN H   5.000 . 5.500 3.160 2.825 4.021     .  0  0 "[    .    1    .    2]" 1 
       221 1  50 GLU H   1  52 SER H   5.000 . 5.500 4.987 3.862 5.502 0.002 16  0 "[    .    1    .    2]" 1 
       222 1  50 GLU QB  1  51 ASN H   4.000 . 4.500 2.920 1.881 3.556     .  0  0 "[    .    1    .    2]" 1 
       223 1  50 GLU QG  1  51 ASN H   5.000 . 5.500 3.421 1.818 4.745     .  0  0 "[    .    1    .    2]" 1 
       224 1  51 ASN H   1  52 SER H   4.000 . 4.500 3.314 2.791 3.473     .  0  0 "[    .    1    .    2]" 1 
       225 1  51 ASN H   1  52 SER QB  5.000 . 5.500 4.195 3.773 4.580     .  0  0 "[    .    1    .    2]" 1 
       226 1  51 ASN HA  1  52 SER H   5.000 . 5.500 2.818 2.553 3.502     .  0  0 "[    .    1    .    2]" 1 
       227 1  51 ASN HA  1  88 ILE H   5.000 . 5.500 5.536 5.345 5.628 0.128  1  0 "[    .    1    .    2]" 1 
       228 1  51 ASN HA  1  88 ILE MD  5.000 . 5.500 3.293 2.104 4.719     .  0  0 "[    .    1    .    2]" 1 
       229 1  51 ASN HA  1  88 ILE MG  4.000 . 4.500 3.691 2.823 4.260     .  0  0 "[    .    1    .    2]" 1 
       230 1  51 ASN QB  1  52 SER H   5.000 . 5.500 3.900 2.843 4.086     .  0  0 "[    .    1    .    2]" 1 
       231 1  52 SER H   1  52 SER QB  3.000 . 3.500 2.439 1.942 2.904     .  0  0 "[    .    1    .    2]" 1 
       232 1  52 SER H   1  53 SER H   5.000 . 5.500 4.313 4.107 4.617     .  0  0 "[    .    1    .    2]" 1 
       233 1  52 SER H   1  87 LEU QB  5.000 . 5.500 4.655 3.819 5.516 0.016 16  0 "[    .    1    .    2]" 1 
       234 1  52 SER H   1  88 ILE MG  5.000 . 5.500 3.391 1.928 5.518 0.018 19  0 "[    .    1    .    2]" 1 
       235 1  52 SER HA  1  53 SER H   3.000 . 3.500 2.374 2.214 2.969     .  0  0 "[    .    1    .    2]" 1 
       236 1  52 SER HA  1  54 VAL H   5.000 . 5.500 6.431 6.233 6.829 1.329 20 20  [****************-**+]  1 
       237 1  52 SER QB  1  53 SER H   5.000 . 5.500 3.392 1.983 4.019     .  0  0 "[    .    1    .    2]" 1 
       238 1  52 SER QB  1  87 LEU QD  4.000 . 4.500 4.236 2.964 4.987 0.487  8  0 "[    .    1    .    2]" 1 
       239 1  53 SER H   1  54 VAL H   5.000 . 5.500 4.613 4.379 4.703     .  0  0 "[    .    1    .    2]" 1 
       240 1  53 SER H   1  56 GLN H   5.000 . 5.500 4.402 3.876 4.810     .  0  0 "[    .    1    .    2]" 1 
       241 1  53 SER H   1  56 GLN QB  4.000 . 4.500 3.618 2.970 4.086     .  0  0 "[    .    1    .    2]" 1 
       242 1  53 SER H   1  56 GLN QG  5.000 . 5.500 5.157 4.380 5.515 0.015 17  0 "[    .    1    .    2]" 1 
       243 1  53 SER H   1  86 THR HG1 5.000 . 5.500 4.320 3.689 5.079     .  0  0 "[    .    1    .    2]" 1 
       244 1  53 SER HA  1  54 VAL H   4.000 . 4.500 2.355 2.265 2.552     .  0  0 "[    .    1    .    2]" 1 
       245 1  53 SER HA  1  55 GLN H   5.000 . 5.500 4.250 4.111 4.490     .  0  0 "[    .    1    .    2]" 1 
       246 1  53 SER HA  1  86 THR HA  3.000 . 3.500 3.219 2.766 3.531 0.031 17  0 "[    .    1    .    2]" 1 
       247 1  53 SER HA  1  86 THR HB  4.000 . 4.500 4.330 3.400 4.521 0.021  3  0 "[    .    1    .    2]" 1 
       248 1  53 SER HA  1  86 THR HG1 4.000 . 4.500 2.354 1.815 3.283     .  0  0 "[    .    1    .    2]" 1 
       249 1  53 SER HA  1  86 THR MG  3.000 . 3.500 2.357 1.816 3.302     .  0  0 "[    .    1    .    2]" 1 
       250 1  53 SER HA  1  87 LEU H   5.000 . 5.500 3.647 2.168 4.577     .  0  0 "[    .    1    .    2]" 1 
       251 1  53 SER QB  1  54 VAL H   4.000 . 4.500 3.099 2.335 3.619     .  0  0 "[    .    1    .    2]" 1 
       252 1  53 SER QB  1  55 GLN H   5.000 . 5.500 2.968 2.588 3.535     .  0  0 "[    .    1    .    2]" 1 
       253 1  53 SER QB  1  56 GLN QB  3.000 . 3.500 3.442 3.164 3.546 0.046  2  0 "[    .    1    .    2]" 1 
       254 1  54 VAL H   1  54 VAL HB  4.000 . 4.500 2.461 2.373 2.544     .  0  0 "[    .    1    .    2]" 1 
       255 1  54 VAL H   1  54 VAL QG  4.000 . 4.500 2.101 1.895 2.236     .  0  0 "[    .    1    .    2]" 1 
       256 1  54 VAL H   1  55 GLN H   5.000 . 5.500 2.751 2.651 2.844     .  0  0 "[    .    1    .    2]" 1 
       257 1  54 VAL H   1  83 ASP HA  5.000 . 5.500 3.554 3.343 4.035     .  0  0 "[    .    1    .    2]" 1 
       258 1  54 VAL H   1  85 ASP H   5.000 . 5.500 5.517 5.347 5.635 0.135 16  0 "[    .    1    .    2]" 1 
       259 1  54 VAL H   1  86 THR HA  5.000 . 5.500 3.057 2.779 3.360     .  0  0 "[    .    1    .    2]" 1 
       260 1  54 VAL H   1  86 THR HG1 5.000 . 5.500 3.502 2.997 4.087     .  0  0 "[    .    1    .    2]" 1 
       261 1  54 VAL H   1  87 LEU H   5.000 . 5.500 3.730 2.690 4.511     .  0  0 "[    .    1    .    2]" 1 
       262 1  54 VAL HA  1  54 VAL QG  3.000 . 3.500 2.032 2.009 2.123     .  0  0 "[    .    1    .    2]" 1 
       263 1  54 VAL HA  1  55 GLN H   5.000 . 5.500 3.559 3.553 3.565     .  0  0 "[    .    1    .    2]" 1 
       264 1  54 VAL HA  1  57 PHE H   5.000 . 5.500 3.293 3.008 3.559     .  0  0 "[    .    1    .    2]" 1 
       265 1  54 VAL HA  1  58 LYS H   5.000 . 5.500 3.347 2.784 3.647     .  0  0 "[    .    1    .    2]" 1 
       266 1  54 VAL HA  1  87 LEU QD  5.000 . 5.500 3.503 2.856 4.586     .  0  0 "[    .    1    .    2]" 1 
       267 1  54 VAL HB  1  55 GLN H   4.000 . 4.500 2.725 2.674 2.775     .  0  0 "[    .    1    .    2]" 1 
       268 1  54 VAL HB  1  58 LYS H   5.000 . 5.500 5.045 4.752 5.225     .  0  0 "[    .    1    .    2]" 1 
       269 1  54 VAL HB  1  85 ASP H   5.000 . 5.500 4.504 4.362 4.909     .  0  0 "[    .    1    .    2]" 1 
       270 1  54 VAL QG  1  55 GLN H   4.000 . 4.500 3.326 3.304 3.346     .  0  0 "[    .    1    .    2]" 1 
       271 1  54 VAL QG  1  57 PHE H   5.000 . 5.500 4.138 3.937 4.322     .  0  0 "[    .    1    .    2]" 1 
       272 1  54 VAL QG  1  58 LYS H   4.000 . 4.500 2.918 2.536 3.159     .  0  0 "[    .    1    .    2]" 1 
       273 1  54 VAL QG  1  58 LYS HA  3.000 . 3.500 3.647 3.611 3.682 0.182  3  0 "[    .    1    .    2]" 1 
       274 1  54 VAL QG  1  83 ASP HA  3.000 . 3.500 2.761 1.903 2.933     .  0  0 "[    .    1    .    2]" 1 
       275 1  54 VAL QG  1  83 ASP QB  3.000 . 3.500 3.202 2.242 3.503 0.003  3  0 "[    .    1    .    2]" 1 
       276 1  54 VAL QG  1  85 ASP H   5.000 . 5.500 3.474 2.815 3.561     .  0  0 "[    .    1    .    2]" 1 
       277 1  55 GLN H   1  56 GLN H   5.000 . 5.500 2.964 2.919 3.027     .  0  0 "[    .    1    .    2]" 1 
       278 1  55 GLN H   1  57 PHE H   5.000 . 5.500 4.452 4.171 4.634     .  0  0 "[    .    1    .    2]" 1 
       279 1  55 GLN H   1  83 ASP HA  5.000 . 5.500 3.231 2.890 4.416     .  0  0 "[    .    1    .    2]" 1 
       280 1  55 GLN HA  1  56 GLN H   5.000 . 5.500 3.585 3.569 3.600     .  0  0 "[    .    1    .    2]" 1 
       281 1  55 GLN HA  1  57 PHE H   5.000 . 5.500 4.928 4.723 5.041     .  0  0 "[    .    1    .    2]" 1 
       282 1  55 GLN HA  1  58 LYS H   5.000 . 5.500 3.938 3.677 4.339     .  0  0 "[    .    1    .    2]" 1 
       283 1  55 GLN HA  1  58 LYS QG  4.000 . 4.500 3.542 2.126 4.519 0.019 19  0 "[    .    1    .    2]" 1 
       284 1  55 GLN QB  1  56 GLN H   5.000 . 5.500 2.422 2.262 2.603     .  0  0 "[    .    1    .    2]" 1 
       285 1  56 GLN H   1  56 GLN QB  3.000 . 3.500 2.168 2.071 2.243     .  0  0 "[    .    1    .    2]" 1 
       286 1  56 GLN H   1  56 GLN QG  4.000 . 4.500 3.776 2.253 4.004     .  0  0 "[    .    1    .    2]" 1 
       287 1  56 GLN H   1  57 PHE H   5.000 . 5.500 2.675 2.463 2.852     .  0  0 "[    .    1    .    2]" 1 
       288 1  56 GLN H   1  58 LYS H   5.000 . 5.500 4.059 3.933 4.273     .  0  0 "[    .    1    .    2]" 1 
       289 1  56 GLN HA  1  56 GLN QG  3.000 . 3.500 2.349 2.155 2.719     .  0  0 "[    .    1    .    2]" 1 
       290 1  56 GLN HA  1  57 PHE H   5.000 . 5.500 3.582 3.565 3.587     .  0  0 "[    .    1    .    2]" 1 
       291 1  56 GLN HA  1  58 LYS H   5.000 . 5.500 4.562 4.348 4.923     .  0  0 "[    .    1    .    2]" 1 
       292 1  56 GLN HA  1  59 GLU H   5.000 . 5.500 3.710 3.628 3.918     .  0  0 "[    .    1    .    2]" 1 
       293 1  56 GLN HA  1  59 GLU QB  3.000 . 3.500 3.078 2.711 3.419     .  0  0 "[    .    1    .    2]" 1 
       294 1  56 GLN QB  1  57 PHE H   4.000 . 4.500 2.293 2.165 2.556     .  0  0 "[    .    1    .    2]" 1 
       295 1  56 GLN QB  1  58 LYS H   5.000 . 5.500 4.594 4.424 4.948     .  0  0 "[    .    1    .    2]" 1 
       296 1  56 GLN QG  1  57 PHE H   5.000 . 5.500 3.663 3.266 4.035     .  0  0 "[    .    1    .    2]" 1 
       297 1  56 GLN QG  1  58 LYS H   5.000 . 5.500 5.395 5.088 5.513 0.013 11  0 "[    .    1    .    2]" 1 
       298 1  57 PHE H   1  57 PHE QB  3.000 . 3.500 2.159 2.114 2.178     .  0  0 "[    .    1    .    2]" 1 
       299 1  57 PHE H   1  57 PHE QD  5.000 . 5.500 4.128 4.093 4.141     .  0  0 "[    .    1    .    2]" 1 
       300 1  57 PHE H   1  58 LYS H   4.000 . 4.500 2.731 2.627 2.851     .  0  0 "[    .    1    .    2]" 1 
       301 1  57 PHE HA  1  57 PHE QD  3.000 . 3.500 2.331 2.109 3.042     .  0  0 "[    .    1    .    2]" 1 
       302 1  57 PHE HA  1  58 LYS H   5.000 . 5.500 3.553 3.533 3.582     .  0  0 "[    .    1    .    2]" 1 
       303 1  57 PHE HA  1  60 ALA H   5.000 . 5.500 3.216 3.067 3.422     .  0  0 "[    .    1    .    2]" 1 
       304 1  57 PHE HA  1  60 ALA MB  4.000 . 4.500 2.221 2.046 2.513     .  0  0 "[    .    1    .    2]" 1 
       305 1  57 PHE QB  1  58 LYS H   4.000 . 4.500 2.486 2.238 2.633     .  0  0 "[    .    1    .    2]" 1 
       306 1  57 PHE QD  1  61 ILE MD  5.500 . 6.000 4.375 3.424 6.051 0.051 10  0 "[    .    1    .    2]" 1 
       307 1  57 PHE QD  1  87 LEU MD1 4.500 . 5.000 3.396 2.394 4.597     .  0  0 "[    .    1    .    2]" 1 
       308 1  57 PHE QD  1  87 LEU QD  4.000 . 4.500 2.900 2.218 4.044     .  0  0 "[    .    1    .    2]" 1 
       309 1  57 PHE QE  1  61 ILE MD  5.500 . 6.000 3.329 2.122 5.527     .  0  0 "[    .    1    .    2]" 1 
       310 1  58 LYS H   1  58 LYS QG  3.000 . 3.500 2.937 2.274 3.533 0.033  2  0 "[    .    1    .    2]" 1 
       311 1  58 LYS H   1  59 GLU H   5.000 . 5.500 2.757 2.719 2.806     .  0  0 "[    .    1    .    2]" 1 
       312 1  58 LYS H   1  60 ALA H   5.000 . 5.500 3.932 3.783 4.053     .  0  0 "[    .    1    .    2]" 1 
       313 1  58 LYS HA  1  59 GLU H   5.000 . 5.500 3.558 3.530 3.582     .  0  0 "[    .    1    .    2]" 1 
       314 1  58 LYS HA  1  60 ALA H   5.000 . 5.500 4.168 4.026 4.342     .  0  0 "[    .    1    .    2]" 1 
       315 1  58 LYS HA  1  61 ILE H   5.000 . 5.500 3.936 3.632 4.290     .  0  0 "[    .    1    .    2]" 1 
       316 1  58 LYS HA  1  61 ILE HB  4.000 . 4.500 3.804 3.275 4.523 0.023  3  0 "[    .    1    .    2]" 1 
       317 1  58 LYS HA  1  61 ILE MD  4.000 . 4.500 3.865 3.181 4.390     .  0  0 "[    .    1    .    2]" 1 
       318 1  58 LYS HA  1  62 SER H   5.000 . 5.500 4.950 4.511 5.393     .  0  0 "[    .    1    .    2]" 1 
       319 1  58 LYS QB  1  59 GLU H   4.000 . 4.500 2.825 2.465 3.499     .  0  0 "[    .    1    .    2]" 1 
       320 1  58 LYS QB  1  60 ALA H   5.000 . 5.500 4.550 4.289 5.057     .  0  0 "[    .    1    .    2]" 1 
       321 1  58 LYS QG  1  59 GLU H   4.000 . 4.500 3.748 1.860 4.457     .  0  0 "[    .    1    .    2]" 1 
       322 1  59 GLU H   1  59 GLU QB  3.000 . 3.500 2.130 1.982 2.263     .  0  0 "[    .    1    .    2]" 1 
       323 1  59 GLU H   1  59 GLU QG  4.000 . 4.500 3.554 2.486 3.992     .  0  0 "[    .    1    .    2]" 1 
       324 1  59 GLU H   1  60 ALA H   4.000 . 4.500 2.455 2.312 2.644     .  0  0 "[    .    1    .    2]" 1 
       325 1  59 GLU H   1  69 THR HG1 5.000 . 5.500 3.778 3.254 4.082     .  0  0 "[    .    1    .    2]" 1 
       326 1  59 GLU HA  1  60 ALA H   5.000 . 5.500 3.490 3.457 3.514     .  0  0 "[    .    1    .    2]" 1 
       327 1  59 GLU HA  1  69 THR HA  5.000 . 5.500 4.494 3.414 5.505 0.005  8  0 "[    .    1    .    2]" 1 
       328 1  59 GLU HA  1  69 THR HG1 3.000 . 3.500 2.087 1.868 2.485     .  0  0 "[    .    1    .    2]" 1 
       329 1  59 GLU QB  1  60 ALA H   4.000 . 4.500 2.900 2.776 3.018     .  0  0 "[    .    1    .    2]" 1 
       330 1  59 GLU QG  1  60 ALA H   5.000 . 5.500 4.254 3.779 4.518     .  0  0 "[    .    1    .    2]" 1 
       331 1  60 ALA H   1  60 ALA MB  3.000 . 3.500 2.065 1.979 2.156     .  0  0 "[    .    1    .    2]" 1 
       332 1  60 ALA H   1  61 ILE H   5.000 . 5.500 2.710 2.618 2.823     .  0  0 "[    .    1    .    2]" 1 
       333 1  60 ALA H   1  61 ILE HB  5.000 . 5.500 4.617 4.392 5.232     .  0  0 "[    .    1    .    2]" 1 
       334 1  60 ALA H   1  62 SER H   5.000 . 5.500 4.029 3.795 4.153     .  0  0 "[    .    1    .    2]" 1 
       335 1  60 ALA H   1  69 THR HG1 5.000 . 5.500 4.778 4.480 5.061     .  0  0 "[    .    1    .    2]" 1 
       336 1  60 ALA HA  1  61 ILE H   5.000 . 5.500 3.576 3.555 3.593     .  0  0 "[    .    1    .    2]" 1 
       337 1  60 ALA HA  1  63 LYS QB  4.000 . 4.500 3.349 3.079 3.654     .  0  0 "[    .    1    .    2]" 1 
       338 1  60 ALA MB  1  61 ILE H   4.000 . 4.500 2.344 2.182 2.549     .  0  0 "[    .    1    .    2]" 1 
       339 1  60 ALA MB  1  62 SER H   5.000 . 5.500 4.345 4.161 4.457     .  0  0 "[    .    1    .    2]" 1 
       340 1  61 ILE H   1  61 ILE HB  4.000 . 4.500 2.207 2.027 2.617     .  0  0 "[    .    1    .    2]" 1 
       341 1  61 ILE H   1  61 ILE MD  5.000 . 5.500 3.639 3.478 3.855     .  0  0 "[    .    1    .    2]" 1 
       342 1  61 ILE H   1  61 ILE QG  4.000 . 4.500 2.956 2.208 4.012     .  0  0 "[    .    1    .    2]" 1 
       343 1  61 ILE H   1  62 SER H   5.000 . 5.500 2.697 2.617 2.742     .  0  0 "[    .    1    .    2]" 1 
       344 1  61 ILE HA  1  62 SER H   5.000 . 5.500 3.547 3.514 3.574     .  0  0 "[    .    1    .    2]" 1 
       345 1  61 ILE HA  1  64 ARG H   5.000 . 5.500 3.697 3.497 3.815     .  0  0 "[    .    1    .    2]" 1 
       346 1  61 ILE HA  1  65 PHE QD  5.500 . 6.000 3.344 3.036 4.310     .  0  0 "[    .    1    .    2]" 1 
       347 1  61 ILE HB  1  61 ILE MD  3.000 . 3.500 2.358 1.934 3.182     .  0  0 "[    .    1    .    2]" 1 
       348 1  61 ILE HB  1  62 SER H   5.000 . 5.500 3.117 2.646 4.117     .  0  0 "[    .    1    .    2]" 1 
       349 1  61 ILE MD  1  61 ILE MG  3.000 . 3.500 2.106 1.781 2.830 0.019 10  0 "[    .    1    .    2]" 1 
       350 1  61 ILE MD  1  62 SER H   5.000 . 5.500 4.435 2.776 4.973     .  0  0 "[    .    1    .    2]" 1 
       351 1  61 ILE MD  1  65 PHE QD  4.500 . 5.000 3.092 1.943 3.914     .  0  0 "[    .    1    .    2]" 1 
       352 1  61 ILE MD  1  65 PHE QE  5.500 . 6.000 3.528 2.416 4.204     .  0  0 "[    .    1    .    2]" 1 
       353 1  61 ILE MD  1 100 LEU QD  3.000 . 3.500 2.523 1.858 3.108     .  0  0 "[    .    1    .    2]" 1 
       354 1  61 ILE QG  1  65 PHE H   5.000 . 5.500 4.133 3.424 4.303     .  0  0 "[    .    1    .    2]" 1 
       355 1  61 ILE MG  1  62 SER H   5.000 . 5.500 2.685 1.900 3.327     .  0  0 "[    .    1    .    2]" 1 
       356 1  61 ILE MG  1  65 PHE QD  4.000 . 4.500 2.552 1.957 4.407     .  0  0 "[    .    1    .    2]" 1 
       357 1  61 ILE MG  1 100 LEU QD  3.000 . 3.500 2.940 2.274 3.528 0.028 13  0 "[    .    1    .    2]" 1 
       358 1  62 SER H   1  63 LYS H   5.000 . 5.500 2.879 2.715 2.966     .  0  0 "[    .    1    .    2]" 1 
       359 1  62 SER H   1  69 THR HG1 5.000 . 5.500 3.845 3.104 4.538     .  0  0 "[    .    1    .    2]" 1 
       360 1  62 SER H   1  72 LEU QD  5.000 . 5.500 3.857 3.106 4.883     .  0  0 "[    .    1    .    2]" 1 
       361 1  62 SER HA  1  63 LYS H   5.000 . 5.500 3.585 3.572 3.594     .  0  0 "[    .    1    .    2]" 1 
       362 1  62 SER HA  1  69 THR HG1 5.000 . 5.500 4.173 3.171 4.785     .  0  0 "[    .    1    .    2]" 1 
       363 1  62 SER HA  1  72 LEU QD  4.000 . 4.500 3.598 2.706 4.404     .  0  0 "[    .    1    .    2]" 1 
       364 1  62 SER QB  1  63 LYS H   5.000 . 5.500 2.608 2.189 3.288     .  0  0 "[    .    1    .    2]" 1 
       365 1  62 SER QB  1  67 SER H   5.000 . 5.500 4.094 3.620 4.467     .  0  0 "[    .    1    .    2]" 1 
       366 1  63 LYS H   1  63 LYS QB  3.000 . 3.500 2.109 1.950 2.330     .  0  0 "[    .    1    .    2]" 1 
       367 1  63 LYS H   1  63 LYS QD  4.000 . 4.500 3.807 2.378 4.459     .  0  0 "[    .    1    .    2]" 1 
       368 1  63 LYS H   1  64 ARG H   5.000 . 5.500 2.859 2.824 2.942     .  0  0 "[    .    1    .    2]" 1 
       369 1  63 LYS H   1  65 PHE H   5.000 . 5.500 4.457 4.407 4.523     .  0  0 "[    .    1    .    2]" 1 
       370 1  63 LYS H   1  66 LYS H   5.000 . 5.500 4.361 4.260 4.558     .  0  0 "[    .    1    .    2]" 1 
       371 1  63 LYS HA  1  63 LYS QD  3.000 . 3.500 2.645 1.936 3.499     .  0  0 "[    .    1    .    2]" 1 
       372 1  63 LYS HA  1  66 LYS H   5.000 . 5.500 4.107 3.714 4.245     .  0  0 "[    .    1    .    2]" 1 
       373 1  63 LYS HA  1  67 SER H   5.000 . 5.500 5.386 4.515 5.523 0.023 17  0 "[    .    1    .    2]" 1 
       374 1  63 LYS QB  1  64 ARG H   4.000 . 4.500 2.283 2.179 2.503     .  0  0 "[    .    1    .    2]" 1 
       375 1  64 ARG H   1  65 PHE H   4.000 . 4.500 2.784 2.726 2.877     .  0  0 "[    .    1    .    2]" 1 
       376 1  64 ARG H   1  66 LYS H   5.000 . 5.500 3.939 3.911 4.057     .  0  0 "[    .    1    .    2]" 1 
       377 1  64 ARG HA  1  64 ARG QD  3.000 . 3.500 2.925 2.088 3.507 0.007 14  0 "[    .    1    .    2]" 1 
       378 1  64 ARG HA  1  65 PHE H   5.000 . 5.500 3.592 3.586 3.596     .  0  0 "[    .    1    .    2]" 1 
       379 1  64 ARG QB  1  65 PHE H   4.000 . 4.500 2.278 2.163 2.425     .  0  0 "[    .    1    .    2]" 1 
       380 1  65 PHE H   1  66 LYS H   4.000 . 4.500 2.624 2.596 2.649     .  0  0 "[    .    1    .    2]" 1 
       381 1  65 PHE H   1  66 LYS HA  5.000 . 5.500 4.951 4.913 4.973     .  0  0 "[    .    1    .    2]" 1 
       382 1  65 PHE H   1  67 SER H   5.000 . 5.500 5.425 4.987 5.511 0.011 12  0 "[    .    1    .    2]" 1 
       383 1  65 PHE HA  1  65 PHE QD  4.000 . 4.500 2.467 1.891 2.876     .  0  0 "[    .    1    .    2]" 1 
       384 1  65 PHE HA  1  66 LYS H   5.000 . 5.500 3.546 3.537 3.551     .  0  0 "[    .    1    .    2]" 1 
       385 1  65 PHE QB  1  66 LYS H   5.000 . 5.500 2.701 2.577 2.745     .  0  0 "[    .    1    .    2]" 1 
       386 1  65 PHE QB  1  67 SER H   5.000 . 5.500 3.937 3.423 4.247     .  0  0 "[    .    1    .    2]" 1 
       387 1  66 LYS H   1  66 LYS HA  3.000 . 3.500 2.365 2.357 2.371     .  0  0 "[    .    1    .    2]" 1 
       388 1  66 LYS H   1  66 LYS QG  4.000 . 4.500 3.661 2.612 4.261     .  0  0 "[    .    1    .    2]" 1 
       389 1  66 LYS H   1  67 SER H   5.000 . 5.500 3.112 2.804 3.190     .  0  0 "[    .    1    .    2]" 1 
       390 1  66 LYS HA  1  66 LYS QG  3.000 . 3.500 2.186 1.934 2.479     .  0  0 "[    .    1    .    2]" 1 
       391 1  66 LYS HA  1  67 SER H   4.000 . 4.500 2.424 2.349 2.657     .  0  0 "[    .    1    .    2]" 1 
       392 1  66 LYS QB  1  67 SER H   5.000 . 5.500 3.967 3.865 4.022     .  0  0 "[    .    1    .    2]" 1 
       393 1  66 LYS QG  1  67 SER H   5.000 . 5.500 4.098 3.840 4.492     .  0  0 "[    .    1    .    2]" 1 
       394 1  67 SER H   1  68 GLN H   5.000 . 5.500 3.414 2.345 4.340     .  0  0 "[    .    1    .    2]" 1 
       395 1  67 SER H   1  72 LEU QD  5.000 . 5.500 4.501 4.002 5.517 0.017  8  0 "[    .    1    .    2]" 1 
       396 1  67 SER HA  1  68 GLN H   4.000 . 4.500 3.236 2.777 3.590     .  0  0 "[    .    1    .    2]" 1 
       397 1  67 SER QB  1  68 GLN H   4.000 . 4.500 2.174 1.919 2.740     .  0  0 "[    .    1    .    2]" 1 
       398 1  67 SER QB  1  68 GLN QG  5.000 . 5.500 4.499 2.253 5.392     .  0  0 "[    .    1    .    2]" 1 
       399 1  67 SER QB  1  72 LEU QD  4.000 . 4.500 3.030 2.180 4.193     .  0  0 "[    .    1    .    2]" 1 
       400 1  68 GLN H   1  68 GLN QG  4.000 . 4.500 3.378 1.975 4.239     .  0  0 "[    .    1    .    2]" 1 
       401 1  68 GLN H   1  69 THR H   5.000 . 5.500 4.375 2.286 4.674     .  0  0 "[    .    1    .    2]" 1 
       402 1  68 GLN HA  1  68 GLN QG  3.000 . 3.500 2.337 1.978 3.315     .  0  0 "[    .    1    .    2]" 1 
       403 1  68 GLN HA  1  69 THR H   5.000 . 5.500 2.663 2.374 3.463     .  0  0 "[    .    1    .    2]" 1 
       404 1  68 GLN QB  1  69 THR H   5.000 . 5.500 2.467 1.996 3.055     .  0  0 "[    .    1    .    2]" 1 
       405 1  68 GLN QB  1  70 ASP H   5.000 . 5.500 4.158 3.484 4.750     .  0  0 "[    .    1    .    2]" 1 
       406 1  68 GLN QB  1  71 GLN H   5.000 . 5.500 3.901 2.479 5.548 0.048  8  0 "[    .    1    .    2]" 1 
       407 1  68 GLN QE  1  71 GLN HA  5.000 . 5.500 5.017 4.522 5.514 0.014  8  0 "[    .    1    .    2]" 1 
       408 1  68 GLN QE  1 102 ILE QG  5.000 . 5.500 3.488 2.000 5.160     .  0  0 "[    .    1    .    2]" 1 
       409 1  68 GLN QG  1  69 THR H   5.000 . 5.500 3.077 2.112 4.536     .  0  0 "[    .    1    .    2]" 1 
       410 1  68 GLN QG  1  70 ASP H   5.000 . 5.500 4.497 3.258 5.514 0.014  8  0 "[    .    1    .    2]" 1 
       411 1  69 THR H   1  70 ASP H   5.000 . 5.500 2.302 1.938 3.816     .  0  0 "[    .    1    .    2]" 1 
       412 1  69 THR H   1  71 GLN H   5.000 . 5.500 3.734 3.201 5.527 0.027  8  0 "[    .    1    .    2]" 1 
       413 1  69 THR HA  1  69 THR HG1 3.000 . 3.500 2.203 2.044 2.372     .  0  0 "[    .    1    .    2]" 1 
       414 1  69 THR HA  1  70 ASP H   5.000 . 5.500 3.587 3.568 3.595     .  0  0 "[    .    1    .    2]" 1 
       415 1  69 THR HA  1  72 LEU QB  5.000 . 5.500 2.335 2.071 2.813     .  0  0 "[    .    1    .    2]" 1 
       416 1  69 THR HA  1  72 LEU QD  4.000 . 4.500 2.543 1.865 3.044     .  0  0 "[    .    1    .    2]" 1 
       417 1  69 THR HB  1  70 ASP H   5.000 . 5.500 2.223 1.949 3.034     .  0  0 "[    .    1    .    2]" 1 
       418 1  69 THR HB  1  71 GLN H   5.000 . 5.500 5.183 4.904 5.514 0.014 16  0 "[    .    1    .    2]" 1 
       419 1  69 THR HB  1  72 LEU H   5.000 . 5.500 5.202 5.010 5.522 0.022  8  0 "[    .    1    .    2]" 1 
       420 1  69 THR HG1 1  70 ASP H   5.000 . 5.500 3.193 2.934 3.430     .  0  0 "[    .    1    .    2]" 1 
       421 1  70 ASP H   1  71 GLN H   5.000 . 5.500 3.093 2.835 4.261     .  0  0 "[    .    1    .    2]" 1 
       422 1  70 ASP H   1  72 LEU H   5.000 . 5.500 3.838 3.552 5.209     .  0  0 "[    .    1    .    2]" 1 
       423 1  70 ASP HA  1  71 GLN H   5.000 . 5.500 3.580 3.505 3.591     .  0  0 "[    .    1    .    2]" 1 
       424 1  70 ASP HA  1  72 LEU H   5.000 . 5.500 4.356 4.171 5.327     .  0  0 "[    .    1    .    2]" 1 
       425 1  70 ASP QB  1  71 GLN H   5.000 . 5.500 2.070 1.903 2.438     .  0  0 "[    .    1    .    2]" 1 
       426 1  71 GLN H   1  71 GLN QG  4.000 . 4.500 2.558 1.959 3.780     .  0  0 "[    .    1    .    2]" 1 
       427 1  71 GLN H   1  72 LEU H   4.000 . 4.500 2.606 2.445 2.711     .  0  0 "[    .    1    .    2]" 1 
       428 1  71 GLN H   1  72 LEU QD  5.000 . 5.500 5.309 4.484 5.510 0.010 12  0 "[    .    1    .    2]" 1 
       429 1  71 GLN HA  1  71 GLN QG  3.000 . 3.500 2.282 1.959 2.787     .  0  0 "[    .    1    .    2]" 1 
       430 1  71 GLN HA  1  72 LEU H   5.000 . 5.500 3.509 3.501 3.581     .  0  0 "[    .    1    .    2]" 1 
       431 1  71 GLN HA  1 103 LYS H   5.000 . 5.500 3.571 3.084 4.931     .  0  0 "[    .    1    .    2]" 1 
       432 1  71 GLN QB  1  72 LEU H   5.000 . 5.500 2.809 2.493 2.891     .  0  0 "[    .    1    .    2]" 1 
       433 1  71 GLN QB  1 103 LYS H   5.000 . 5.500 2.789 1.968 3.982     .  0  0 "[    .    1    .    2]" 1 
       434 1  72 LEU H   1  72 LEU QB  3.000 . 3.500 2.113 1.956 2.638     .  0  0 "[    .    1    .    2]" 1 
       435 1  72 LEU H   1  72 LEU QD  4.000 . 4.500 3.540 2.825 3.688     .  0  0 "[    .    1    .    2]" 1 
       436 1  72 LEU H   1  73 VAL H   5.000 . 5.500 4.401 3.701 4.663     .  0  0 "[    .    1    .    2]" 1 
       437 1  72 LEU H   1  73 VAL QG  5.000 . 5.500 4.058 3.814 4.810     .  0  0 "[    .    1    .    2]" 1 
       438 1  72 LEU HA  1  72 LEU QD  3.000 . 3.500 2.420 1.891 3.034     .  0  0 "[    .    1    .    2]" 1 
       439 1  72 LEU HA  1  73 VAL H   4.000 . 4.500 2.247 2.190 2.362     .  0  0 "[    .    1    .    2]" 1 
       440 1  72 LEU QB  1  73 VAL H   5.000 . 5.500 3.904 3.578 4.039     .  0  0 "[    .    1    .    2]" 1 
       441 1  72 LEU QD  1  73 VAL H   3.000 . 3.500 3.172 2.689 3.506 0.006  4  0 "[    .    1    .    2]" 1 
       442 1  72 LEU HG  1  73 VAL H   5.000 . 5.500 3.569 2.535 5.519 0.019  8  0 "[    .    1    .    2]" 1 
       443 1  73 VAL H   1  73 VAL HB  4.000 . 4.500 2.931 2.518 3.805     .  0  0 "[    .    1    .    2]" 1 
       444 1  73 VAL H   1  73 VAL QG  3.000 . 3.500 2.554 1.916 2.974     .  0  0 "[    .    1    .    2]" 1 
       445 1  73 VAL H   1 100 LEU HA  5.000 . 5.500 4.964 4.494 5.441     .  0  0 "[    .    1    .    2]" 1 
       446 1  73 VAL H   1 100 LEU QD  5.000 . 5.500 3.845 2.677 4.483     .  0  0 "[    .    1    .    2]" 1 
       447 1  73 VAL H   1 101 VAL H   5.000 . 5.500 3.377 3.082 3.906     .  0  0 "[    .    1    .    2]" 1 
       448 1  73 VAL HA  1  73 VAL QG  3.000 . 3.500 2.133 2.027 2.330     .  0  0 "[    .    1    .    2]" 1 
       449 1  73 VAL HA  1  74 LEU H   3.000 . 3.500 2.414 2.288 2.507     .  0  0 "[    .    1    .    2]" 1 
       450 1  73 VAL HB  1  74 LEU H   5.000 . 5.500 3.650 2.556 4.247     .  0  0 "[    .    1    .    2]" 1 
       451 1  73 VAL HB  1 101 VAL H   5.000 . 5.500 4.714 3.987 5.555 0.055 13  0 "[    .    1    .    2]" 1 
       452 1  73 VAL QG  1  74 LEU H   3.000 . 3.500 2.327 1.864 3.369     .  0  0 "[    .    1    .    2]" 1 
       453 1  74 LEU H   1  74 LEU QD  4.000 . 4.500 2.711 1.945 3.774     .  0  0 "[    .    1    .    2]" 1 
       454 1  74 LEU H   1  75 ILE H   5.000 . 5.500 4.442 4.253 4.584     .  0  0 "[    .    1    .    2]" 1 
       455 1  74 LEU H   1  76 PHE H   5.000 . 5.500 5.556 5.516 5.593 0.093 20  0 "[    .    1    .    2]" 1 
       456 1  74 LEU HA  1  75 ILE H   3.000 . 3.500 2.241 2.189 2.355     .  0  0 "[    .    1    .    2]" 1 
       457 1  74 LEU HA  1  76 PHE H   5.000 . 5.500 5.434 5.207 5.534 0.034 14  0 "[    .    1    .    2]" 1 
       458 1  74 LEU HA  1 100 LEU H   5.000 . 5.500 4.690 4.383 4.955     .  0  0 "[    .    1    .    2]" 1 
       459 1  74 LEU QB  1  75 ILE H   4.000 . 4.500 3.275 2.876 3.640     .  0  0 "[    .    1    .    2]" 1 
       460 1  74 LEU QB  1  76 PHE H   5.000 . 5.500 4.223 3.732 4.537     .  0  0 "[    .    1    .    2]" 1 
       461 1  75 ILE H   1  75 ILE HB  4.000 . 4.500 2.374 2.087 2.637     .  0  0 "[    .    1    .    2]" 1 
       462 1  75 ILE H   1  75 ILE MD  4.000 . 4.500 3.520 3.108 4.113     .  0  0 "[    .    1    .    2]" 1 
       463 1  75 ILE H   1  76 PHE H   5.000 . 5.500 4.172 3.872 4.333     .  0  0 "[    .    1    .    2]" 1 
       464 1  75 ILE H   1  98 VAL QG  5.000 . 5.500 3.246 2.271 4.654     .  0  0 "[    .    1    .    2]" 1 
       465 1  75 ILE H   1  99 HIS H   5.000 . 5.500 3.405 2.859 4.084     .  0  0 "[    .    1    .    2]" 1 
       466 1  75 ILE H   1  99 HIS QB  5.000 . 5.500 3.248 2.590 3.670     .  0  0 "[    .    1    .    2]" 1 
       467 1  75 ILE HA  1  75 ILE HB  3.000 . 3.500 2.980 2.449 3.037     .  0  0 "[    .    1    .    2]" 1 
       468 1  75 ILE HA  1  75 ILE MD  3.000 . 3.500 2.018 1.928 2.614     .  0  0 "[    .    1    .    2]" 1 
       469 1  75 ILE HA  1  75 ILE QG  3.000 . 3.500 2.865 2.361 2.995     .  0  0 "[    .    1    .    2]" 1 
       470 1  75 ILE HA  1  75 ILE MG  3.000 . 3.500 2.435 2.252 3.201     .  0  0 "[    .    1    .    2]" 1 
       471 1  75 ILE HA  1  76 PHE H   3.000 . 3.500 2.282 2.205 2.397     .  0  0 "[    .    1    .    2]" 1 
       472 1  75 ILE HA  1  80 ILE HA  3.000 . 3.500 2.895 2.601 3.367     .  0  0 "[    .    1    .    2]" 1 
       473 1  75 ILE HA  1  81 LEU H   5.000 . 5.500 3.127 2.845 3.259     .  0  0 "[    .    1    .    2]" 1 
       474 1  75 ILE HB  1  75 ILE MD  3.000 . 3.500 3.140 2.143 3.209     .  0  0 "[    .    1    .    2]" 1 
       475 1  75 ILE HB  1  76 PHE H   5.000 . 5.500 4.493 4.420 4.634     .  0  0 "[    .    1    .    2]" 1 
       476 1  75 ILE HB  1  99 HIS H   5.000 . 5.500 3.401 2.951 5.455     .  0  0 "[    .    1    .    2]" 1 
       477 1  75 ILE MD  1  76 PHE H   4.000 . 4.500 3.718 2.755 3.976     .  0  0 "[    .    1    .    2]" 1 
       478 1  75 ILE MD  1  78 GLY H   4.000 . 4.500 4.323 3.397 4.530 0.030  4  0 "[    .    1    .    2]" 1 
       479 1  75 ILE MD  1  79 LYS H   5.000 . 5.500 4.874 2.552 5.516 0.016 11  0 "[    .    1    .    2]" 1 
       480 1  75 ILE MD  1  99 HIS H   5.000 . 5.500 5.469 4.331 5.589 0.089 17  0 "[    .    1    .    2]" 1 
       481 1  75 ILE MD  1  99 HIS QB  5.000 . 5.500 4.500 3.637 4.827     .  0  0 "[    .    1    .    2]" 1 
       482 1  75 ILE QG  1  76 PHE H   5.000 . 5.500 4.706 3.468 4.887     .  0  0 "[    .    1    .    2]" 1 
       483 1  75 ILE MG  1  76 PHE H   5.000 . 5.500 3.466 3.158 4.129     .  0  0 "[    .    1    .    2]" 1 
       484 1  76 PHE H   1  76 PHE QD  5.000 . 5.500 4.165 4.091 4.272     .  0  0 "[    .    1    .    2]" 1 
       485 1  76 PHE H   1  79 LYS H   5.000 . 5.500 3.844 2.805 4.524     .  0  0 "[    .    1    .    2]" 1 
       486 1  76 PHE H   1  79 LYS QB  5.000 . 5.500 3.732 3.402 5.001     .  0  0 "[    .    1    .    2]" 1 
       487 1  76 PHE H   1  80 ILE HA  5.000 . 5.500 3.242 2.621 4.168     .  0  0 "[    .    1    .    2]" 1 
       488 1  76 PHE H   1  81 LEU H   5.000 . 5.500 2.285 2.019 2.664     .  0  0 "[    .    1    .    2]" 1 
       489 1  76 PHE H   1  81 LEU QD  4.000 . 4.500 3.878 3.065 4.403     .  0  0 "[    .    1    .    2]" 1 
       490 1  76 PHE HA  1  76 PHE QD  4.000 . 4.500 2.154 1.910 2.588     .  0  0 "[    .    1    .    2]" 1 
       491 1  76 PHE HA  1  77 ALA H   5.000 . 5.500 2.379 2.204 2.626     .  0  0 "[    .    1    .    2]" 1 
       492 1  76 PHE QB  1  77 ALA H   5.000 . 5.500 3.944 3.298 4.072     .  0  0 "[    .    1    .    2]" 1 
       493 1  76 PHE QB  1  81 LEU QD  5.000 . 5.500 2.232 1.749 3.014 0.051  1  0 "[    .    1    .    2]" 1 
       494 1  76 PHE QD  1  77 ALA H   5.000 . 5.500 3.337 1.922 4.520     .  0  0 "[    .    1    .    2]" 1 
       495 1  76 PHE QD  1  81 LEU QD  5.500 . 6.000 2.163 1.797 2.892 0.003 20  0 "[    .    1    .    2]" 1 
       496 1  76 PHE QD  1  87 LEU MD1 4.500 . 5.000 5.043 5.024 5.073 0.073 12  0 "[    .    1    .    2]" 1 
       497 1  76 PHE QD  1  92 ILE QG  5.500 . 6.000 4.381 3.651 5.397     .  0  0 "[    .    1    .    2]" 1 
       498 1  76 PHE QD  1  98 VAL HA  4.000 . 4.500 3.791 2.792 4.337     .  0  0 "[    .    1    .    2]" 1 
       499 1  76 PHE QD  1  98 VAL QG  4.500 . 5.000 2.605 1.859 3.543     .  0  0 "[    .    1    .    2]" 1 
       500 1  76 PHE QD  1  99 HIS H   5.000 . 5.500 5.253 4.411 5.533 0.033  9  0 "[    .    1    .    2]" 1 
       501 1  76 PHE QE  1  77 ALA MB  4.000 . 4.500 3.762 3.145 4.511 0.011 11  0 "[    .    1    .    2]" 1 
       502 1  76 PHE QE  1  87 LEU MD1 5.500 . 6.000 5.624 5.171 5.985     .  0  0 "[    .    1    .    2]" 1 
       503 1  76 PHE QE  1  92 ILE H   5.000 . 5.500 4.587 3.475 5.208     .  0  0 "[    .    1    .    2]" 1 
       504 1  76 PHE QE  1  93 HIS H   5.000 . 5.500 4.770 4.041 5.514 0.014  1  0 "[    .    1    .    2]" 1 
       505 1  76 PHE QE  1  96 LEU MD2 4.500 . 5.000 2.986 1.875 4.472     .  0  0 "[    .    1    .    2]" 1 
       506 1  76 PHE QE  1  98 VAL QG  4.500 . 5.000 3.873 2.796 4.891     .  0  0 "[    .    1    .    2]" 1 
       507 1  76 PHE HZ  1  96 LEU QD  4.000 . 4.500 2.436 1.797 3.610 0.003 16  0 "[    .    1    .    2]" 1 
       508 1  76 PHE HZ  1  96 LEU MD2 4.500 . 5.000 2.972 1.871 4.631     .  0  0 "[    .    1    .    2]" 1 
       509 1  77 ALA H   1  78 GLY H   5.000 . 5.500 3.003 2.731 4.359     .  0  0 "[    .    1    .    2]" 1 
       510 1  77 ALA HA  1  78 GLY H   4.000 . 4.500 2.893 2.251 3.084     .  0  0 "[    .    1    .    2]" 1 
       511 1  77 ALA MB  1  78 GLY H   5.000 . 5.500 3.615 3.539 3.739     .  0  0 "[    .    1    .    2]" 1 
       512 1  77 ALA MB  1  79 LYS H   5.000 . 5.500 3.773 2.992 4.846     .  0  0 "[    .    1    .    2]" 1 
       513 1  78 GLY H   1  79 LYS H   5.000 . 5.500 2.783 1.993 3.416     .  0  0 "[    .    1    .    2]" 1 
       514 1  78 GLY QA  1  79 LYS H   5.000 . 5.500 2.725 2.556 2.865     .  0  0 "[    .    1    .    2]" 1 
       515 1  79 LYS H   1  80 ILE H   5.000 . 5.500 4.491 4.350 4.658     .  0  0 "[    .    1    .    2]" 1 
       516 1  79 LYS HA  1  79 LYS QG  3.000 . 3.500 2.204 1.943 3.311     .  0  0 "[    .    1    .    2]" 1 
       517 1  79 LYS HA  1  80 ILE H   3.000 . 3.500 2.680 2.237 2.832     .  0  0 "[    .    1    .    2]" 1 
       518 1  79 LYS QB  1  80 ILE H   4.000 . 4.500 2.296 1.946 3.702     .  0  0 "[    .    1    .    2]" 1 
       519 1  79 LYS QG  1  80 ILE H   5.000 . 5.500 2.951 1.976 4.245     .  0  0 "[    .    1    .    2]" 1 
       520 1  80 ILE H   1  80 ILE HB  3.000 . 3.500 3.423 2.897 3.551 0.051  3  0 "[    .    1    .    2]" 1 
       521 1  80 ILE H   1  80 ILE MD  4.000 . 4.500 2.120 1.833 3.589     .  0  0 "[    .    1    .    2]" 1 
       522 1  80 ILE H   1  81 LEU H   5.000 . 5.500 3.992 3.755 4.372     .  0  0 "[    .    1    .    2]" 1 
       523 1  80 ILE HA  1  80 ILE MD  3.000 . 3.500 3.231 2.094 3.753 0.253  3  0 "[    .    1    .    2]" 1 
       524 1  80 ILE HA  1  80 ILE MG  3.000 . 3.500 2.102 1.979 2.270     .  0  0 "[    .    1    .    2]" 1 
       525 1  80 ILE HA  1  81 LEU H   4.000 . 4.500 2.331 2.220 2.426     .  0  0 "[    .    1    .    2]" 1 
       526 1  80 ILE HB  1  80 ILE MD  3.000 . 3.500 2.508 1.911 3.200     .  0  0 "[    .    1    .    2]" 1 
       527 1  80 ILE HB  1  81 LEU H   5.000 . 5.500 4.120 4.003 4.223     .  0  0 "[    .    1    .    2]" 1 
       528 1  80 ILE HB  1  82 LYS H   5.000 . 5.500 3.780 3.247 4.275     .  0  0 "[    .    1    .    2]" 1 
       529 1  80 ILE MD  1  81 LEU H   4.000 . 4.500 4.162 3.953 4.623 0.123  5  0 "[    .    1    .    2]" 1 
       530 1  80 ILE MD  1  82 LYS H   5.000 . 5.500 3.851 2.868 5.594 0.094 20  0 "[    .    1    .    2]" 1 
       531 1  81 LEU H   1  81 LEU QB  3.000 . 3.500 2.074 1.963 2.188     .  0  0 "[    .    1    .    2]" 1 
       532 1  81 LEU H   1  81 LEU QD  4.000 . 4.500 3.553 2.811 3.712     .  0  0 "[    .    1    .    2]" 1 
       533 1  81 LEU HA  1  81 LEU QD  3.000 . 3.500 2.640 2.016 3.034     .  0  0 "[    .    1    .    2]" 1 
       534 1  81 LEU HA  1  82 LYS H   4.000 . 4.500 2.372 2.277 2.510     .  0  0 "[    .    1    .    2]" 1 
       535 1  81 LEU HA  1  85 ASP H   5.000 . 5.500 5.136 4.830 5.490     .  0  0 "[    .    1    .    2]" 1 
       536 1  81 LEU QB  1  82 LYS H   5.000 . 5.500 3.995 3.943 4.060     .  0  0 "[    .    1    .    2]" 1 
       537 1  81 LEU QD  1  82 LYS H   5.000 . 5.500 3.778 3.134 4.375     .  0  0 "[    .    1    .    2]" 1 
       538 1  81 LEU QD  1  87 LEU QD  3.000 . 3.500 1.854 1.728 2.314 0.072 12  0 "[    .    1    .    2]" 1 
       539 1  81 LEU QD  1  92 ILE H   5.000 . 5.500 3.788 3.614 3.950     .  0  0 "[    .    1    .    2]" 1 
       540 1  81 LEU QD  1  92 ILE MG  5.000 . 5.500 3.027 1.883 4.247     .  0  0 "[    .    1    .    2]" 1 
       541 1  81 LEU QD  1  96 LEU H   5.000 . 5.500 5.531 5.426 5.602 0.102  3  0 "[    .    1    .    2]" 1 
       542 1  81 LEU QD  1  98 VAL QG  5.000 . 5.500 1.773 1.715 1.862 0.085  5  0 "[    .    1    .    2]" 1 
       543 1  82 LYS H   1  85 ASP QB  5.000 . 5.500 4.343 3.727 5.038     .  0  0 "[    .    1    .    2]" 1 
       544 1  82 LYS HA  1  83 ASP H   5.000 . 5.500 2.909 2.781 3.045     .  0  0 "[    .    1    .    2]" 1 
       545 1  82 LYS QB  1  83 ASP H   4.000 . 4.500 2.200 1.855 2.429     .  0  0 "[    .    1    .    2]" 1 
       546 1  82 LYS QB  1  84 GLN H   4.000 . 4.500 2.494 2.208 3.620     .  0  0 "[    .    1    .    2]" 1 
       547 1  82 LYS QB  1  85 ASP H   5.000 . 5.500 4.283 3.951 5.391     .  0  0 "[    .    1    .    2]" 1 
       548 1  82 LYS QG  1  83 ASP H   5.000 . 5.500 1.971 1.780 2.881 0.020 10  0 "[    .    1    .    2]" 1 
       549 1  83 ASP H   1  84 GLN H   5.000 . 5.500 2.561 2.520 2.685     .  0  0 "[    .    1    .    2]" 1 
       550 1  83 ASP H   1  85 ASP H   5.000 . 5.500 4.514 4.411 4.756     .  0  0 "[    .    1    .    2]" 1 
       551 1  83 ASP HA  1  84 GLN H   5.000 . 5.500 3.448 3.428 3.479     .  0  0 "[    .    1    .    2]" 1 
       552 1  83 ASP HA  1  85 ASP H   5.000 . 5.500 3.756 3.630 3.918     .  0  0 "[    .    1    .    2]" 1 
       553 1  83 ASP QB  1  84 GLN H   4.000 . 4.500 3.544 3.044 3.727     .  0  0 "[    .    1    .    2]" 1 
       554 1  84 GLN H   1  84 GLN QG  4.000 . 4.500 3.574 2.329 4.001     .  0  0 "[    .    1    .    2]" 1 
       555 1  84 GLN H   1  85 ASP H   4.000 . 4.500 2.769 2.669 2.852     .  0  0 "[    .    1    .    2]" 1 
       556 1  84 GLN HA  1  84 GLN QG  3.000 . 3.500 2.253 2.034 2.620     .  0  0 "[    .    1    .    2]" 1 
       557 1  84 GLN HA  1  85 ASP H   5.000 . 5.500 3.542 3.528 3.551     .  0  0 "[    .    1    .    2]" 1 
       558 1  84 GLN QB  1  85 ASP H   5.000 . 5.500 2.704 2.623 2.825     .  0  0 "[    .    1    .    2]" 1 
       559 1  84 GLN QG  1  85 ASP H   5.000 . 5.500 4.180 3.756 4.554     .  0  0 "[    .    1    .    2]" 1 
       560 1  85 ASP H   1  86 THR H   5.000 . 5.500 4.441 4.371 4.494     .  0  0 "[    .    1    .    2]" 1 
       561 1  85 ASP HA  1  86 THR H   4.000 . 4.500 2.471 2.257 2.718     .  0  0 "[    .    1    .    2]" 1 
       562 1  85 ASP QB  1  86 THR H   4.000 . 4.500 2.687 2.036 3.250     .  0  0 "[    .    1    .    2]" 1 
       563 1  86 THR H   1  86 THR HG1 4.000 . 4.500 2.420 1.892 2.900     .  0  0 "[    .    1    .    2]" 1 
       564 1  86 THR H   1  87 LEU H   5.000 . 5.500 4.617 4.475 4.686     .  0  0 "[    .    1    .    2]" 1 
       565 1  86 THR H   1  88 ILE MD  5.000 . 5.500 5.400 4.855 5.576 0.076  6  0 "[    .    1    .    2]" 1 
       566 1  86 THR H   1  88 ILE QG  5.000 . 5.500 4.872 4.535 5.699 0.199 19  0 "[    .    1    .    2]" 1 
       567 1  86 THR H   1  89 GLN H   5.000 . 5.500 4.111 3.777 4.317     .  0  0 "[    .    1    .    2]" 1 
       568 1  86 THR H   1  89 GLN HA  5.000 . 5.500 5.491 5.172 5.567 0.067 16  0 "[    .    1    .    2]" 1 
       569 1  86 THR H   1  89 GLN QB  5.000 . 5.500 2.471 2.145 2.648     .  0  0 "[    .    1    .    2]" 1 
       570 1  86 THR H   1  89 GLN QG  5.000 . 5.500 3.754 3.013 4.205     .  0  0 "[    .    1    .    2]" 1 
       571 1  86 THR HA  1  86 THR HB  3.000 . 3.500 2.734 2.469 2.995     .  0  0 "[    .    1    .    2]" 1 
       572 1  86 THR HA  1  86 THR HG1 3.000 . 3.500 2.136 1.964 2.400     .  0  0 "[    .    1    .    2]" 1 
       573 1  86 THR HA  1  86 THR MG  3.000 . 3.500 2.153 1.970 2.420     .  0  0 "[    .    1    .    2]" 1 
       574 1  86 THR HA  1  87 LEU H   4.000 . 4.500 2.322 2.201 2.438     .  0  0 "[    .    1    .    2]" 1 
       575 1  86 THR HA  1  88 ILE H   5.000 . 5.500 4.404 4.003 4.635     .  0  0 "[    .    1    .    2]" 1 
       576 1  86 THR HA  1  89 GLN H   5.000 . 5.500 4.402 4.152 4.608     .  0  0 "[    .    1    .    2]" 1 
       577 1  86 THR HB  1  87 LEU H   4.000 . 4.500 3.117 2.619 3.904     .  0  0 "[    .    1    .    2]" 1 
       578 1  86 THR HB  1  88 ILE H   5.000 . 5.500 3.096 2.682 3.465     .  0  0 "[    .    1    .    2]" 1 
       579 1  86 THR HB  1  88 ILE MG  5.000 . 5.500 4.264 2.144 4.664     .  0  0 "[    .    1    .    2]" 1 
       580 1  86 THR HB  1  89 GLN H   5.000 . 5.500 2.753 1.912 3.663     .  0  0 "[    .    1    .    2]" 1 
       581 1  86 THR HG1 1  87 LEU H   5.000 . 5.500 3.221 2.607 3.628     .  0  0 "[    .    1    .    2]" 1 
       582 1  87 LEU H   1  87 LEU QD  4.000 . 4.500 2.984 2.059 3.515     .  0  0 "[    .    1    .    2]" 1 
       583 1  87 LEU H   1  87 LEU HG  5.000 . 5.500 4.374 4.043 4.508     .  0  0 "[    .    1    .    2]" 1 
       584 1  87 LEU H   1  88 ILE H   5.000 . 5.500 2.797 2.477 2.906     .  0  0 "[    .    1    .    2]" 1 
       585 1  87 LEU H   1  88 ILE MD  5.000 . 5.500 5.036 3.256 5.561 0.061  6  0 "[    .    1    .    2]" 1 
       586 1  87 LEU H   1  88 ILE MG  5.000 . 5.500 4.305 3.541 5.656 0.156 19  0 "[    .    1    .    2]" 1 
       587 1  87 LEU H   1  90 HIS H   5.000 . 5.500 5.022 4.811 5.225     .  0  0 "[    .    1    .    2]" 1 
       588 1  87 LEU HA  1  87 LEU QD  3.000 . 3.500 1.968 1.847 2.289     .  0  0 "[    .    1    .    2]" 1 
       589 1  87 LEU HA  1  87 LEU HG  4.000 . 4.500 2.661 2.274 3.070     .  0  0 "[    .    1    .    2]" 1 
       590 1  87 LEU HA  1  88 ILE H   5.000 . 5.500 3.574 3.464 3.596     .  0  0 "[    .    1    .    2]" 1 
       591 1  87 LEU HA  1  90 HIS H   5.000 . 5.500 3.513 3.138 3.911     .  0  0 "[    .    1    .    2]" 1 
       592 1  87 LEU HA  1  92 ILE H   5.000 . 5.500 2.899 2.438 3.514     .  0  0 "[    .    1    .    2]" 1 
       593 1  87 LEU HA  1  92 ILE MD  4.000 . 4.500 4.243 3.625 4.590 0.090 14  0 "[    .    1    .    2]" 1 
       594 1  87 LEU QB  1  88 ILE H   5.000 . 5.500 2.475 2.287 2.798     .  0  0 "[    .    1    .    2]" 1 
       595 1  87 LEU QB  1  91 GLY H   5.000 . 5.500 4.515 4.218 4.945     .  0  0 "[    .    1    .    2]" 1 
       596 1  87 LEU QB  1  92 ILE H   5.000 . 5.500 3.870 3.233 4.694     .  0  0 "[    .    1    .    2]" 1 
       597 1  87 LEU QD  1  88 ILE H   5.000 . 5.500 3.949 3.845 4.044     .  0  0 "[    .    1    .    2]" 1 
       598 1  87 LEU QD  1  90 HIS QB  4.500 . 5.000 5.072 5.018 5.147 0.147  2  0 "[    .    1    .    2]" 1 
       599 1  87 LEU QD  1  92 ILE HA  4.000 . 4.500 4.466 4.090 4.622 0.122 19  0 "[    .    1    .    2]" 1 
       600 1  87 LEU HG  1  88 ILE H   5.000 . 5.500 4.384 3.765 5.047     .  0  0 "[    .    1    .    2]" 1 
       601 1  87 LEU HG  1  90 HIS H   5.000 . 5.500 5.321 5.124 5.499     .  0  0 "[    .    1    .    2]" 1 
       602 1  87 LEU HG  1  91 GLY H   5.000 . 5.500 4.482 3.927 5.033     .  0  0 "[    .    1    .    2]" 1 
       603 1  88 ILE H   1  88 ILE HB  4.000 . 4.500 3.449 2.534 3.557     .  0  0 "[    .    1    .    2]" 1 
       604 1  88 ILE H   1  88 ILE MD  5.000 . 5.500 3.410 1.850 3.725     .  0  0 "[    .    1    .    2]" 1 
       605 1  88 ILE H   1  88 ILE QG  4.000 . 4.500 2.103 1.868 4.019     .  0  0 "[    .    1    .    2]" 1 
       606 1  88 ILE H   1  88 ILE MG  4.000 . 4.500 2.192 1.801 3.664     .  0  0 "[    .    1    .    2]" 1 
       607 1  88 ILE H   1  89 GLN H   5.000 . 5.500 2.605 2.501 2.675     .  0  0 "[    .    1    .    2]" 1 
       608 1  88 ILE HA  1  88 ILE HB  3.000 . 3.500 2.518 2.358 3.033     .  0  0 "[    .    1    .    2]" 1 
       609 1  88 ILE HA  1  88 ILE QG  3.000 . 3.500 3.252 2.515 3.385     .  0  0 "[    .    1    .    2]" 1 
       610 1  88 ILE HA  1  89 GLN H   5.000 . 5.500 3.460 3.413 3.503     .  0  0 "[    .    1    .    2]" 1 
       611 1  88 ILE HA  1  90 HIS H   5.000 . 5.500 4.038 3.753 4.332     .  0  0 "[    .    1    .    2]" 1 
       612 1  88 ILE HA  1  91 GLY H   5.000 . 5.500 5.191 4.885 5.439     .  0  0 "[    .    1    .    2]" 1 
       613 1  88 ILE HA  1  92 ILE H   5.000 . 5.500 3.869 3.343 4.569     .  0  0 "[    .    1    .    2]" 1 
       614 1  88 ILE HB  1  89 GLN H   5.000 . 5.500 3.965 2.932 4.132     .  0  0 "[    .    1    .    2]" 1 
       615 1  88 ILE HB  1  90 HIS H   5.000 . 5.500 5.519 5.048 5.607 0.107  2  0 "[    .    1    .    2]" 1 
       616 1  88 ILE MD  1  89 GLN H   5.000 . 5.500 3.326 2.617 3.757     .  0  0 "[    .    1    .    2]" 1 
       617 1  88 ILE MD  1  90 HIS H   5.000 . 5.500 5.099 4.308 5.546 0.046 19  0 "[    .    1    .    2]" 1 
       618 1  88 ILE QG  1  88 ILE MG  3.000 . 3.500 2.127 1.905 2.648     .  0  0 "[    .    1    .    2]" 1 
       619 1  88 ILE QG  1  89 GLN H   5.000 . 5.500 2.344 2.027 4.083     .  0  0 "[    .    1    .    2]" 1 
       620 1  88 ILE MG  1  89 GLN H   4.000 . 4.500 3.917 1.958 4.172     .  0  0 "[    .    1    .    2]" 1 
       621 1  88 ILE MG  1  89 GLN HA  5.000 . 5.500 5.331 3.747 5.505 0.005 20  0 "[    .    1    .    2]" 1 
       622 1  88 ILE MG  1  90 HIS H   5.000 . 5.500 5.215 4.259 5.394     .  0  0 "[    .    1    .    2]" 1 
       623 1  89 GLN H   1  89 GLN QG  4.000 . 4.500 3.769 2.570 4.026     .  0  0 "[    .    1    .    2]" 1 
       624 1  89 GLN H   1  90 HIS H   5.000 . 5.500 2.407 2.288 2.690     .  0  0 "[    .    1    .    2]" 1 
       625 1  89 GLN H   1  90 HIS QB  5.000 . 5.500 4.305 4.004 4.435     .  0  0 "[    .    1    .    2]" 1 
       626 1  89 GLN H   1  91 GLY H   5.000 . 5.500 3.697 3.460 4.051     .  0  0 "[    .    1    .    2]" 1 
       627 1  89 GLN H   1  92 ILE H   5.000 . 5.500 4.583 4.352 4.847     .  0  0 "[    .    1    .    2]" 1 
       628 1  89 GLN HA  1  90 HIS H   5.000 . 5.500 3.451 3.304 3.496     .  0  0 "[    .    1    .    2]" 1 
       629 1  89 GLN QB  1  90 HIS H   5.000 . 5.500 3.150 2.973 3.491     .  0  0 "[    .    1    .    2]" 1 
       630 1  89 GLN QB  1  91 GLY H   5.000 . 5.500 4.152 3.922 4.600     .  0  0 "[    .    1    .    2]" 1 
       631 1  89 GLN QG  1  90 HIS H   5.000 . 5.500 4.180 3.962 4.356     .  0  0 "[    .    1    .    2]" 1 
       632 1  89 GLN QG  1  91 GLY H   5.000 . 5.500 5.373 5.039 5.560 0.060  4  0 "[    .    1    .    2]" 1 
       633 1  90 HIS H   1  91 GLY H   4.000 . 4.500 1.974 1.855 2.257     .  0  0 "[    .    1    .    2]" 1 
       634 1  90 HIS H   1  91 GLY QA  5.000 . 5.500 3.835 3.774 3.926     .  0  0 "[    .    1    .    2]" 1 
       635 1  90 HIS H   1  92 ILE H   5.000 . 5.500 3.188 2.784 3.344     .  0  0 "[    .    1    .    2]" 1 
       636 1  90 HIS H   1  92 ILE MD  5.000 . 5.500 5.453 5.242 5.627 0.127 19  0 "[    .    1    .    2]" 1 
       637 1  90 HIS H   1  92 ILE QG  4.000 . 4.500 4.587 4.512 4.675 0.175  2  0 "[    .    1    .    2]" 1 
       638 1  90 HIS HA  1  91 GLY H   5.000 . 5.500 3.552 3.521 3.570     .  0  0 "[    .    1    .    2]" 1 
       639 1  90 HIS HA  1  92 ILE H   5.000 . 5.500 4.519 4.125 4.678     .  0  0 "[    .    1    .    2]" 1 
       640 1  90 HIS QB  1  91 GLY H   5.000 . 5.500 2.750 2.454 2.927     .  0  0 "[    .    1    .    2]" 1 
       641 1  90 HIS QB  1  92 ILE H   5.000 . 5.500 4.881 4.569 5.007     .  0  0 "[    .    1    .    2]" 1 
       642 1  91 GLY H   1  92 ILE H   4.000 . 4.500 2.826 2.754 2.875     .  0  0 "[    .    1    .    2]" 1 
       643 1  91 GLY H   1  92 ILE MD  5.000 . 5.500 5.002 4.315 5.537 0.037 17  0 "[    .    1    .    2]" 1 
       644 1  91 GLY H   1  92 ILE QG  5.000 . 5.500 4.230 4.032 4.411     .  0  0 "[    .    1    .    2]" 1 
       645 1  91 GLY QA  1  92 ILE H   5.000 . 5.500 2.673 2.632 2.763     .  0  0 "[    .    1    .    2]" 1 
       646 1  92 ILE H   1  92 ILE HB  4.000 . 4.500 3.479 2.855 3.899     .  0  0 "[    .    1    .    2]" 1 
       647 1  92 ILE H   1  92 ILE MD  4.000 . 4.500 3.260 3.086 3.357     .  0  0 "[    .    1    .    2]" 1 
       648 1  92 ILE H   1  93 HIS H   5.000 . 5.500 4.394 4.149 4.479     .  0  0 "[    .    1    .    2]" 1 
       649 1  92 ILE HA  1  92 ILE MD  3.000 . 3.500 2.931 2.031 3.534 0.034 15  0 "[    .    1    .    2]" 1 
       650 1  92 ILE HA  1  92 ILE MG  3.000 . 3.500 2.201 1.953 2.348     .  0  0 "[    .    1    .    2]" 1 
       651 1  92 ILE HA  1  93 HIS H   4.000 . 4.500 2.388 2.213 2.578     .  0  0 "[    .    1    .    2]" 1 
       652 1  92 ILE HA  1  96 LEU QD  3.000 . 3.500 2.767 1.936 3.513 0.013  2  0 "[    .    1    .    2]" 1 
       653 1  92 ILE HB  1  92 ILE MD  3.000 . 3.500 2.628 2.055 3.193     .  0  0 "[    .    1    .    2]" 1 
       654 1  92 ILE HB  1  93 HIS H   5.000 . 5.500 3.043 2.365 4.190     .  0  0 "[    .    1    .    2]" 1 
       655 1  92 ILE MD  1  93 HIS H   5.000 . 5.500 3.430 2.373 4.481     .  0  0 "[    .    1    .    2]" 1 
       656 1  92 ILE MD  1  96 LEU H   5.000 . 5.500 3.802 3.012 4.550     .  0  0 "[    .    1    .    2]" 1 
       657 1  92 ILE MD  1  96 LEU QD  5.000 . 5.500 3.852 3.106 4.739     .  0  0 "[    .    1    .    2]" 1 
       658 1  92 ILE QG  1  93 HIS H   4.000 . 4.500 3.020 1.951 3.613     .  0  0 "[    .    1    .    2]" 1 
       659 1  92 ILE MG  1  96 LEU QB  4.000 . 4.500 2.392 1.816 3.501     .  0  0 "[    .    1    .    2]" 1 
       660 1  92 ILE MG  1  98 VAL QG  5.000 . 5.500 3.695 2.287 5.205     .  0  0 "[    .    1    .    2]" 1 
       661 1  93 HIS H   1  94 ASP H   5.000 . 5.500 1.993 1.848 2.263     .  0  0 "[    .    1    .    2]" 1 
       662 1  93 HIS H   1  96 LEU QB  5.000 . 5.500 3.010 2.590 3.668     .  0  0 "[    .    1    .    2]" 1 
       663 1  93 HIS H   1  96 LEU MD2 4.000 . 4.500 3.425 1.974 4.505 0.005  4  0 "[    .    1    .    2]" 1 
       664 1  93 HIS H   1  96 LEU HG  5.000 . 5.500 3.900 2.110 5.515 0.015  8  0 "[    .    1    .    2]" 1 
       665 1  93 HIS QB  1  94 ASP H   5.000 . 5.500 2.660 2.428 2.912     .  0  0 "[    .    1    .    2]" 1 
       666 1  94 ASP H   1  95 GLY H   5.000 . 5.500 1.954 1.883 2.212     .  0  0 "[    .    1    .    2]" 1 
       667 1  94 ASP HA  1  95 GLY H   3.000 . 3.500 2.939 2.797 3.001     .  0  0 "[    .    1    .    2]" 1 
       668 1  94 ASP HA  1  96 LEU H   5.000 . 5.500 5.475 5.268 5.530 0.030  3  0 "[    .    1    .    2]" 1 
       669 1  94 ASP QB  1  95 GLY H   5.000 . 5.500 3.921 3.793 4.058     .  0  0 "[    .    1    .    2]" 1 
       670 1  95 GLY H   1  96 LEU H   5.000 . 5.500 2.549 2.334 2.713     .  0  0 "[    .    1    .    2]" 1 
       671 1  95 GLY QA  1  96 LEU H   5.000 . 5.500 2.475 2.418 2.576     .  0  0 "[    .    1    .    2]" 1 
       672 1  96 LEU H   1  96 LEU QB  3.000 . 3.500 2.198 2.094 2.403     .  0  0 "[    .    1    .    2]" 1 
       673 1  96 LEU H   1  96 LEU MD2 5.000 . 5.500 3.890 2.525 4.533     .  0  0 "[    .    1    .    2]" 1 
       674 1  96 LEU H   1  96 LEU HG  4.000 . 4.500 3.965 2.583 4.500 0.000  5  0 "[    .    1    .    2]" 1 
       675 1  96 LEU H   1  97 THR H   5.000 . 5.500 4.509 4.423 4.572     .  0  0 "[    .    1    .    2]" 1 
       676 1  96 LEU HA  1  96 LEU QD  3.000 . 3.500 2.273 1.787 2.867 0.013 17  0 "[    .    1    .    2]" 1 
       677 1  96 LEU QB  1  97 THR H   3.000 . 3.500 2.421 1.987 2.746     .  0  0 "[    .    1    .    2]" 1 
       678 1  96 LEU MD2 1  97 THR H   5.000 . 5.500 3.243 1.993 4.280     .  0  0 "[    .    1    .    2]" 1 
       679 1  96 LEU HG  1  97 THR H   5.000 . 5.500 3.796 2.027 4.896     .  0  0 "[    .    1    .    2]" 1 
       680 1  97 THR H   1  97 THR HB  4.000 . 4.500 2.920 2.515 3.682     .  0  0 "[    .    1    .    2]" 1 
       681 1  97 THR H   1  98 VAL H   5.000 . 5.500 4.484 4.251 4.542     .  0  0 "[    .    1    .    2]" 1 
       682 1  97 THR HA  1  97 THR HG1 3.000 . 3.500 2.305 2.018 2.941     .  0  0 "[    .    1    .    2]" 1 
       683 1  97 THR HA  1  98 VAL H   3.000 . 3.500 2.262 2.206 2.296     .  0  0 "[    .    1    .    2]" 1 
       684 1  97 THR HB  1  98 VAL H   5.000 . 5.500 3.877 3.026 4.409     .  0  0 "[    .    1    .    2]" 1 
       685 1  97 THR HG1 1  98 VAL H   4.000 . 4.500 2.805 2.131 3.685     .  0  0 "[    .    1    .    2]" 1 
       686 1  97 THR HG1 1  99 HIS H   5.000 . 5.500 5.065 4.523 5.523 0.023  1  0 "[    .    1    .    2]" 1 
       687 1  98 VAL H   1  98 VAL QG  4.000 . 4.500 2.191 1.909 2.818     .  0  0 "[    .    1    .    2]" 1 
       688 1  98 VAL H   1  99 HIS H   5.000 . 5.500 4.448 4.377 4.541     .  0  0 "[    .    1    .    2]" 1 
       689 1  98 VAL HA  1  98 VAL QG  3.000 . 3.500 2.244 2.032 2.348     .  0  0 "[    .    1    .    2]" 1 
       690 1  98 VAL HA  1  99 HIS H   3.000 . 3.500 2.327 2.243 2.393     .  0  0 "[    .    1    .    2]" 1 
       691 1  98 VAL HB  1  99 HIS H   5.000 . 5.500 3.658 2.876 4.144     .  0  0 "[    .    1    .    2]" 1 
       692 1  98 VAL QG  1  99 HIS H   4.000 . 4.500 2.549 1.922 3.545     .  0  0 "[    .    1    .    2]" 1 
       693 1  99 HIS H   1 100 LEU H   5.000 . 5.500 4.525 4.426 4.629     .  0  0 "[    .    1    .    2]" 1 
       694 1  99 HIS HA  1 100 LEU H   3.000 . 3.500 2.240 2.213 2.293     .  0  0 "[    .    1    .    2]" 1 
       695 1  99 HIS QB  1 100 LEU H   5.000 . 5.500 3.500 3.034 3.939     .  0  0 "[    .    1    .    2]" 1 
       696 1 100 LEU H   1 100 LEU QD  4.000 . 4.500 3.668 3.515 3.741     .  0  0 "[    .    1    .    2]" 1 
       697 1 100 LEU H   1 101 VAL H   5.000 . 5.500 4.542 4.371 4.666     .  0  0 "[    .    1    .    2]" 1 
       698 1 100 LEU HA  1 100 LEU QD  3.000 . 3.500 2.832 1.935 3.053     .  0  0 "[    .    1    .    2]" 1 
       699 1 100 LEU HA  1 101 VAL H   4.000 . 4.500 2.241 2.204 2.304     .  0  0 "[    .    1    .    2]" 1 
       700 1 100 LEU QB  1 101 VAL H   5.000 . 5.500 3.738 3.510 3.905     .  0  0 "[    .    1    .    2]" 1 
       701 1 100 LEU QD  1 101 VAL H   5.000 . 5.500 2.936 2.203 3.614     .  0  0 "[    .    1    .    2]" 1 
       702 1 100 LEU QD  1 102 ILE H   5.000 . 5.500 4.014 3.478 5.016     .  0  0 "[    .    1    .    2]" 1 
       703 1 100 LEU QD  1 102 ILE MD  5.000 . 5.500 4.618 2.880 5.515 0.015 19  0 "[    .    1    .    2]" 1 
       704 1 101 VAL H   1 101 VAL QG  4.000 . 4.500 2.320 1.956 2.875     .  0  0 "[    .    1    .    2]" 1 
       705 1 101 VAL H   1 102 ILE H   5.000 . 5.500 4.258 3.961 4.438     .  0  0 "[    .    1    .    2]" 1 
       706 1 101 VAL HA  1 101 VAL QG  3.000 . 3.500 2.224 2.035 2.366     .  0  0 "[    .    1    .    2]" 1 
       707 1 101 VAL HA  1 102 ILE H   3.000 . 3.500 2.269 2.206 2.496     .  0  0 "[    .    1    .    2]" 1 
       708 1 101 VAL HB  1 102 ILE H   5.000 . 5.500 3.933 2.792 4.442     .  0  0 "[    .    1    .    2]" 1 
       709 1 101 VAL QG  1 102 ILE H   4.000 . 4.500 2.729 1.842 3.586     .  0  0 "[    .    1    .    2]" 1 
       710 1 102 ILE H   1 102 ILE HB  4.000 . 4.500 3.549 2.804 3.670     .  0  0 "[    .    1    .    2]" 1 
       711 1 102 ILE H   1 102 ILE MD  4.000 . 4.500 2.783 1.768 4.506 0.032 20  0 "[    .    1    .    2]" 1 
       712 1 102 ILE H   1 102 ILE QG  4.000 . 4.500 2.484 1.868 3.963     .  0  0 "[    .    1    .    2]" 1 
       713 1 102 ILE H   1 103 LYS H   5.000 . 5.500 4.524 4.204 4.626     .  0  0 "[    .    1    .    2]" 1 
       714 1 102 ILE HA  1 102 ILE MD  3.000 . 3.500 3.505 3.301 3.546 0.046 13  0 "[    .    1    .    2]" 1 
       715 1 102 ILE HA  1 102 ILE MG  3.000 . 3.500 2.480 2.315 3.195     .  0  0 "[    .    1    .    2]" 1 
       716 1 102 ILE HA  1 103 LYS H   3.000 . 3.500 2.225 2.200 2.239     .  0  0 "[    .    1    .    2]" 1 
       717 1 102 ILE HB  1 102 ILE MD  3.000 . 3.500 2.646 2.106 3.218     .  0  0 "[    .    1    .    2]" 1 
       718 1 102 ILE HB  1 103 LYS H   4.000 . 4.500 3.461 3.220 4.270     .  0  0 "[    .    1    .    2]" 1 
       719 1 102 ILE MD  1 103 LYS H   5.000 . 5.500 4.174 3.366 5.091     .  0  0 "[    .    1    .    2]" 1 
       720 1 102 ILE QG  1 103 LYS H   5.000 . 5.500 3.980 2.466 4.393     .  0  0 "[    .    1    .    2]" 1 
       721 1 102 ILE MG  1 103 LYS H   4.000 . 4.500 4.113 3.882 4.263     .  0  0 "[    .    1    .    2]" 1 
    stop_

save_



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