NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord in_dress stage program type subtype subsubtype
469069 1ab7 cing recoord dress 4-filtered-FRED Wattos check violation distance


data_1ab7


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              1323
    _Distance_constraint_stats_list.Viol_count                    2823
    _Distance_constraint_stats_list.Viol_total                    6839.849
    _Distance_constraint_stats_list.Viol_max                      0.289
    _Distance_constraint_stats_list.Viol_rms                      0.0267
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0057
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0808
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

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

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


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

       1  1 LYS  0.078 0.047 11 0 "[    .    1    .    2    .    3]" 
       1  2 LYS  0.909 0.144 28 0 "[    .    1    .    2    .    3]" 
       1  3 ALA  0.974 0.085 11 0 "[    .    1    .    2    .    3]" 
       1  4 VAL  0.794 0.070 12 0 "[    .    1    .    2    .    3]" 
       1  5 ILE  6.956 0.233  3 0 "[    .    1    .    2    .    3]" 
       1  6 ASN  2.718 0.164 27 0 "[    .    1    .    2    .    3]" 
       1  7 GLY  3.403 0.164 27 0 "[    .    1    .    2    .    3]" 
       1  8 GLU  6.267 0.199 29 0 "[    .    1    .    2    .    3]" 
       1  9 GLN  6.929 0.199 29 0 "[    .    1    .    2    .    3]" 
       1 10 ILE  7.511 0.210 13 0 "[    .    1    .    2    .    3]" 
       1 11 ARG  2.050 0.078  9 0 "[    .    1    .    2    .    3]" 
       1 12 SER  1.127 0.051 24 0 "[    .    1    .    2    .    3]" 
       1 13 ILE  1.302 0.129  1 0 "[    .    1    .    2    .    3]" 
       1 14 SER  0.000 0.000  . 0 "[    .    1    .    2    .    3]" 
       1 15 ASP  8.919 0.155 15 0 "[    .    1    .    2    .    3]" 
       1 16 LEU  8.457 0.155 15 0 "[    .    1    .    2    .    3]" 
       1 17 HIS  8.636 0.209 20 0 "[    .    1    .    2    .    3]" 
       1 18 GLN 10.230 0.217 22 0 "[    .    1    .    2    .    3]" 
       1 19 THR 12.033 0.217 22 0 "[    .    1    .    2    .    3]" 
       1 20 LEU 19.022 0.233  3 0 "[    .    1    .    2    .    3]" 
       1 21 LYS  4.818 0.204 15 0 "[    .    1    .    2    .    3]" 
       1 22 LYS  1.455 0.109 15 0 "[    .    1    .    2    .    3]" 
       1 23 GLU  7.047 0.222  3 0 "[    .    1    .    2    .    3]" 
       1 24 LEU  8.073 0.222  3 0 "[    .    1    .    2    .    3]" 
       1 25 ALA  0.303 0.039 29 0 "[    .    1    .    2    .    3]" 
       1 26 LEU  4.594 0.146  8 0 "[    .    1    .    2    .    3]" 
       1 27 PRO  2.674 0.141  4 0 "[    .    1    .    2    .    3]" 
       1 28 GLU  0.473 0.051  5 0 "[    .    1    .    2    .    3]" 
       1 29 TYR  1.881 0.109  8 0 "[    .    1    .    2    .    3]" 
       1 30 TYR  4.084 0.146  8 0 "[    .    1    .    2    .    3]" 
       1 31 GLY  1.198 0.080  8 0 "[    .    1    .    2    .    3]" 
       1 32 GLU  0.000 0.000  . 0 "[    .    1    .    2    .    3]" 
       1 33 ASN  1.773 0.289 20 0 "[    .    1    .    2    .    3]" 
       1 34 LEU  1.434 0.123 14 0 "[    .    1    .    2    .    3]" 
       1 35 ASP  9.982 0.252 28 0 "[    .    1    .    2    .    3]" 
       1 36 ALA  7.197 0.233 21 0 "[    .    1    .    2    .    3]" 
       1 37 LEU  9.062 0.233 21 0 "[    .    1    .    2    .    3]" 
       1 38 TRP 16.931 0.212 21 0 "[    .    1    .    2    .    3]" 
       1 39 ASP 16.866 0.212 21 0 "[    .    1    .    2    .    3]" 
       1 40 ALA 10.525 0.199 23 0 "[    .    1    .    2    .    3]" 
       1 41 LEU 12.756 0.243 23 0 "[    .    1    .    2    .    3]" 
       1 42 THR  9.498 0.243 23 0 "[    .    1    .    2    .    3]" 
       1 43 GLY  0.000 0.000  . 0 "[    .    1    .    2    .    3]" 
       1 44 TRP  0.418 0.065 20 0 "[    .    1    .    2    .    3]" 
       1 45 VAL  2.986 0.186 17 0 "[    .    1    .    2    .    3]" 
       1 46 GLU  1.586 0.186 17 0 "[    .    1    .    2    .    3]" 
       1 47 TYR  0.837 0.070 23 0 "[    .    1    .    2    .    3]" 
       1 48 PRO  0.656 0.070 23 0 "[    .    1    .    2    .    3]" 
       1 49 LEU  5.025 0.177 30 0 "[    .    1    .    2    .    3]" 
       1 50 VAL  0.932 0.144 28 0 "[    .    1    .    2    .    3]" 
       1 51 LEU  8.192 0.183 15 0 "[    .    1    .    2    .    3]" 
       1 52 GLU  0.720 0.064  8 0 "[    .    1    .    2    .    3]" 
       1 53 TRP  5.365 0.131 10 0 "[    .    1    .    2    .    3]" 
       1 54 ARG  0.013 0.013 27 0 "[    .    1    .    2    .    3]" 
       1 55 GLN  0.000 0.000  . 0 "[    .    1    .    2    .    3]" 
       1 56 PHE  1.197 0.120 22 0 "[    .    1    .    2    .    3]" 
       1 57 GLU  0.024 0.021 10 0 "[    .    1    .    2    .    3]" 
       1 58 GLN  0.092 0.034 23 0 "[    .    1    .    2    .    3]" 
       1 59 SER  0.226 0.074 15 0 "[    .    1    .    2    .    3]" 
       1 60 LYS  0.465 0.074  5 0 "[    .    1    .    2    .    3]" 
       1 61 GLN  4.925 0.219  8 0 "[    .    1    .    2    .    3]" 
       1 62 LEU 10.765 0.228 24 0 "[    .    1    .    2    .    3]" 
       1 63 THR  7.706 0.228 24 0 "[    .    1    .    2    .    3]" 
       1 64 GLU  2.600 0.124 23 0 "[    .    1    .    2    .    3]" 
       1 65 ASN  0.688 0.055 10 0 "[    .    1    .    2    .    3]" 
       1 66 GLY  0.276 0.068 17 0 "[    .    1    .    2    .    3]" 
       1 67 ALA  1.219 0.074  5 0 "[    .    1    .    2    .    3]" 
       1 68 GLU  4.528 0.177  7 0 "[    .    1    .    2    .    3]" 
       1 69 SER  5.062 0.181  2 0 "[    .    1    .    2    .    3]" 
       1 70 VAL 13.134 0.220  4 0 "[    .    1    .    2    .    3]" 
       1 71 LEU 13.369 0.230 22 0 "[    .    1    .    2    .    3]" 
       1 72 GLN  8.965 0.181  2 0 "[    .    1    .    2    .    3]" 
       1 73 VAL 13.290 0.184 14 0 "[    .    1    .    2    .    3]" 
       1 74 PHE 16.475 0.186 14 0 "[    .    1    .    2    .    3]" 
       1 75 ARG  5.779 0.230 22 0 "[    .    1    .    2    .    3]" 
       1 76 GLU  1.450 0.077 21 0 "[    .    1    .    2    .    3]" 
       1 77 ALA  8.253 0.194 26 0 "[    .    1    .    2    .    3]" 
       1 78 LYS  5.902 0.259 16 0 "[    .    1    .    2    .    3]" 
       1 79 ALA  0.115 0.020 17 0 "[    .    1    .    2    .    3]" 
       1 80 GLU  0.968 0.083 13 0 "[    .    1    .    2    .    3]" 
       1 81 GLY  3.651 0.194 26 0 "[    .    1    .    2    .    3]" 
       1 82 ALA  6.968 0.175  5 0 "[    .    1    .    2    .    3]" 
       1 83 ASP  0.926 0.062 24 0 "[    .    1    .    2    .    3]" 
       1 84 ILE  4.386 0.168 19 0 "[    .    1    .    2    .    3]" 
       1 85 THR  0.000 0.000  . 0 "[    .    1    .    2    .    3]" 
       1 86 ILE  1.986 0.095 23 0 "[    .    1    .    2    .    3]" 
       1 87 ILE  3.732 0.183 15 0 "[    .    1    .    2    .    3]" 
       1 88 LEU  0.251 0.089 15 0 "[    .    1    .    2    .    3]" 
       1 89 SER  0.000 0.000  . 0 "[    .    1    .    2    .    3]" 
    stop_

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

          1 1 49 LEU MD2 1 50 VAL H   4.000 . 5.500 3.847 3.766 4.360     .  0 0 "[    .    1    .    2    .    3]" 1 
          2 1 49 LEU MD2 1 74 PHE QE  3.000 . 3.800 1.673 1.623 1.720 0.177 30 0 "[    .    1    .    2    .    3]" 1 
          3 1 47 TYR QE  1 49 LEU MD2 3.000 . 3.800 1.880 1.801 2.060     .  0 0 "[    .    1    .    2    .    3]" 1 
          4 1 49 LEU HA  1 49 LEU MD2 4.000 . 5.500 3.976 3.942 4.016     .  0 0 "[    .    1    .    2    .    3]" 1 
          5 1 49 LEU HB2 1 49 LEU MD2 3.000 . 3.800 2.474 2.368 2.670     .  0 0 "[    .    1    .    2    .    3]" 1 
          6 1 49 LEU HB3 1 49 LEU MD2 3.000 . 3.800 2.143 1.985 2.237     .  0 0 "[    .    1    .    2    .    3]" 1 
          7 1 49 LEU MD2 1 51 LEU MD1 4.000 . 6.000 3.017 2.787 3.275     .  0 0 "[    .    1    .    2    .    3]" 1 
          8 1 49 LEU MD2 1 51 LEU MD2 4.000 . 6.000 4.225 4.194 4.274     .  0 0 "[    .    1    .    2    .    3]" 1 
          9 1 45 VAL MG1 1 49 LEU MD2 3.000 . 4.300 2.007 1.652 2.333 0.148  6 0 "[    .    1    .    2    .    3]" 1 
         10 1 41 LEU MD2 1 49 LEU MD2 3.000 . 4.300 2.071 1.931 2.222     .  0 0 "[    .    1    .    2    .    3]" 1 
         11 1 16 LEU MD2 1 67 ALA HA  3.000 . 3.800 2.281 1.806 2.869     .  0 0 "[    .    1    .    2    .    3]" 1 
         12 1 16 LEU HA  1 16 LEU MD2 3.000 . 3.800 3.245 3.176 3.294     .  0 0 "[    .    1    .    2    .    3]" 1 
         13 1 16 LEU QB  1 16 LEU MD2 3.000 . 3.800 1.966 1.839 2.060     .  0 0 "[    .    1    .    2    .    3]" 1 
         14 1 16 LEU MD2 1 70 VAL HB  4.000 . 5.500 3.956 3.407 4.447     .  0 0 "[    .    1    .    2    .    3]" 1 
         15 1  1 LYS HA  1  2 LYS H   2.400 . 2.700 2.551 2.275 2.747 0.047 11 0 "[    .    1    .    2    .    3]" 1 
         16 1  1 LYS HA  1  2 LYS HB3 4.000 . 5.000 4.285 3.999 4.563     .  0 0 "[    .    1    .    2    .    3]" 1 
         17 1  2 LYS HA  1  3 ALA H   2.400 . 2.700 2.206 2.145 2.265     .  0 0 "[    .    1    .    2    .    3]" 1 
         18 1  2 LYS HA  1 50 VAL H   3.000 . 3.300 2.039 1.856 2.176     .  0 0 "[    .    1    .    2    .    3]" 1 
         19 1  2 LYS HA  1  2 LYS HB2 3.000 . 3.300 2.340 2.271 2.430     .  0 0 "[    .    1    .    2    .    3]" 1 
         20 1  2 LYS HA  1 49 LEU MD1 4.000 . 5.500 2.544 2.090 2.925     .  0 0 "[    .    1    .    2    .    3]" 1 
         21 1  2 LYS HA  1 50 VAL MG1 4.000 . 5.500 2.899 2.542 3.233     .  0 0 "[    .    1    .    2    .    3]" 1 
         22 1  2 LYS HA  1 50 VAL HB  3.000 . 3.300 2.050 1.851 2.690     .  0 0 "[    .    1    .    2    .    3]" 1 
         23 1  2 LYS HA  1  2 LYS HB3 3.000 . 3.300 2.859 2.626 3.031     .  0 0 "[    .    1    .    2    .    3]" 1 
         24 1  2 LYS HA  1  3 ALA MB  4.000 . 5.500 4.035 3.843 4.134     .  0 0 "[    .    1    .    2    .    3]" 1 
         25 1  2 LYS HA  1 50 VAL MG2 4.000 . 5.500 3.763 3.468 4.260     .  0 0 "[    .    1    .    2    .    3]" 1 
         26 1  2 LYS HA  1 49 LEU HG  4.000 . 5.000 4.092 3.484 4.643     .  0 0 "[    .    1    .    2    .    3]" 1 
         27 1  2 LYS HA  1  2 LYS QE  4.000 . 5.000 4.319 3.890 4.507     .  0 0 "[    .    1    .    2    .    3]" 1 
         28 1  2 LYS HA  1 50 VAL HA  4.000 . 5.000 4.203 4.063 4.350     .  0 0 "[    .    1    .    2    .    3]" 1 
         29 1  1 LYS HA  1  2 LYS HA  4.000 . 5.000 4.494 4.425 4.572     .  0 0 "[    .    1    .    2    .    3]" 1 
         30 1  2 LYS HB2 1 50 VAL MG1 3.000 . 3.800 2.776 1.878 3.209     .  0 0 "[    .    1    .    2    .    3]" 1 
         31 1  2 LYS HB2 1 50 VAL HB  4.000 . 5.000 2.403 1.873 2.920     .  0 0 "[    .    1    .    2    .    3]" 1 
         32 1  2 LYS HB2 1  2 LYS QE  4.000 . 5.000 3.145 1.876 4.196     .  0 0 "[    .    1    .    2    .    3]" 1 
         33 1  2 LYS H   1  2 LYS HB2 4.000 . 5.000 3.591 3.154 3.989     .  0 0 "[    .    1    .    2    .    3]" 1 
         34 1  2 LYS HB2 1 50 VAL MG2 4.000 . 5.500 3.523 3.059 4.104     .  0 0 "[    .    1    .    2    .    3]" 1 
         35 1  2 LYS HB2 1 50 VAL H   4.000 . 5.000 4.011 3.433 4.266     .  0 0 "[    .    1    .    2    .    3]" 1 
         36 1  2 LYS H   1  2 LYS HB3 3.000 . 3.300 2.678 2.368 3.059     .  0 0 "[    .    1    .    2    .    3]" 1 
         37 1  2 LYS HB3 1 50 VAL H   4.000 . 5.000 4.687 3.721 5.046 0.046 11 0 "[    .    1    .    2    .    3]" 1 
         38 1  2 LYS HB3 1  2 LYS QE  4.000 . 5.000 3.817 2.813 4.485     .  0 0 "[    .    1    .    2    .    3]" 1 
         39 1  1 LYS QB  1  2 LYS H   3.000 . 3.300 2.390 1.845 2.937     .  0 0 "[    .    1    .    2    .    3]" 1 
         40 1  2 LYS H   1  2 LYS QG  4.000 . 5.000 3.328 2.461 4.103     .  0 0 "[    .    1    .    2    .    3]" 1 
         41 1  1 LYS QG  1  2 LYS H   4.000 . 5.000 3.481 1.995 4.464     .  0 0 "[    .    1    .    2    .    3]" 1 
         42 1  2 LYS H   1 49 LEU MD1 4.000 . 5.500 3.519 3.191 3.932     .  0 0 "[    .    1    .    2    .    3]" 1 
         43 1  3 ALA HA  1  4 VAL H   2.400 . 2.700 2.292 2.212 2.372     .  0 0 "[    .    1    .    2    .    3]" 1 
         44 1  3 ALA HA  1 49 LEU MD1 4.000 . 5.500 3.745 3.205 4.106     .  0 0 "[    .    1    .    2    .    3]" 1 
         45 1  3 ALA HA  1  4 VAL MG2 4.000 . 5.500 3.609 3.136 3.892     .  0 0 "[    .    1    .    2    .    3]" 1 
         46 1  2 LYS HA  1  3 ALA HA  4.000 . 5.000 4.477 4.437 4.511     .  0 0 "[    .    1    .    2    .    3]" 1 
         47 1  3 ALA HA  1 23 GLU HA  4.000 . 5.000 4.194 3.827 4.512     .  0 0 "[    .    1    .    2    .    3]" 1 
         48 1  3 ALA HA  1 23 GLU QB  4.000 . 5.000 1.948 1.767 2.271 0.033 29 0 "[    .    1    .    2    .    3]" 1 
         49 1  3 ALA MB  1 51 LEU HA  4.000 . 5.500 2.480 2.113 2.763     .  0 0 "[    .    1    .    2    .    3]" 1 
         50 1  3 ALA MB  1  4 VAL H   4.000 . 5.500 2.888 2.628 3.063     .  0 0 "[    .    1    .    2    .    3]" 1 
         51 1  3 ALA H   1  3 ALA MB  3.000 . 3.800 2.191 2.088 2.496     .  0 0 "[    .    1    .    2    .    3]" 1 
         52 1  3 ALA MB  1 50 VAL H   4.000 . 5.500 4.020 3.785 4.612     .  0 0 "[    .    1    .    2    .    3]" 1 
         53 1  3 ALA MB  1 23 GLU HA  4.000 . 5.500 4.529 4.222 4.617     .  0 0 "[    .    1    .    2    .    3]" 1 
         54 1  3 ALA MB  1 20 LEU HA  4.000 . 5.500 3.507 2.841 4.101     .  0 0 "[    .    1    .    2    .    3]" 1 
         55 1  3 ALA MB  1 23 GLU QB  3.000 . 3.800 2.065 1.765 2.199 0.035  6 0 "[    .    1    .    2    .    3]" 1 
         56 1  3 ALA H   1 51 LEU HA  3.000 . 3.300 3.312 3.058 3.385 0.085 11 0 "[    .    1    .    2    .    3]" 1 
         57 1  3 ALA H   1 51 LEU MD1 4.000 . 5.500 4.424 4.005 4.629     .  0 0 "[    .    1    .    2    .    3]" 1 
         58 1  3 ALA H   1 49 LEU MD1 3.000 . 3.800 1.934 1.753 3.169 0.047  5 0 "[    .    1    .    2    .    3]" 1 
         59 1  2 LYS HB2 1  3 ALA H   4.000 . 5.000 4.087 3.124 4.523     .  0 0 "[    .    1    .    2    .    3]" 1 
         60 1  3 ALA H   1 23 GLU QB  4.000 . 5.000 4.052 3.678 4.469     .  0 0 "[    .    1    .    2    .    3]" 1 
         61 1  4 VAL HA  1  4 VAL MG1 3.000 . 3.800 2.367 2.168 2.581     .  0 0 "[    .    1    .    2    .    3]" 1 
         62 1  4 VAL HA  1  4 VAL MG2 3.000 . 3.800 2.297 2.131 2.491     .  0 0 "[    .    1    .    2    .    3]" 1 
         63 1  4 VAL HA  1  5 ILE H   3.000 . 3.300 2.166 2.145 2.203     .  0 0 "[    .    1    .    2    .    3]" 1 
         64 1  4 VAL HA  1 52 GLU QB  3.000 . 3.300 2.508 2.419 2.603     .  0 0 "[    .    1    .    2    .    3]" 1 
         65 1  4 VAL HA  1 51 LEU MD1 4.000 . 5.500 4.609 4.570 4.666     .  0 0 "[    .    1    .    2    .    3]" 1 
         66 1  4 VAL HA  1  5 ILE HB  4.000 . 5.000 4.761 4.442 4.871     .  0 0 "[    .    1    .    2    .    3]" 1 
         67 1  4 VAL H   1  4 VAL HB  3.000 . 3.300 2.723 2.577 2.925     .  0 0 "[    .    1    .    2    .    3]" 1 
         68 1  4 VAL HB  1  4 VAL MG2 2.400 . 3.200 2.126 2.110 2.153     .  0 0 "[    .    1    .    2    .    3]" 1 
         69 1  4 VAL MG1 1 52 GLU HB2 4.000 . 5.500 4.297 3.825 4.595     .  0 0 "[    .    1    .    2    .    3]" 1 
         70 1  4 VAL MG1 1  6 ASN H   4.000 . 5.500 4.123 3.241 4.579     .  0 0 "[    .    1    .    2    .    3]" 1 
         71 1  4 VAL MG1 1  6 ASN QD  3.000 . 3.800 2.642 2.166 2.875     .  0 0 "[    .    1    .    2    .    3]" 1 
         72 1  4 VAL MG1 1 54 ARG H   4.000 . 5.500 3.462 2.849 4.316     .  0 0 "[    .    1    .    2    .    3]" 1 
         73 1  4 VAL H   1  4 VAL MG1 4.000 . 5.500 3.876 3.769 3.978     .  0 0 "[    .    1    .    2    .    3]" 1 
         74 1  4 VAL MG1 1  5 ILE H   3.000 . 3.800 2.535 2.308 2.865     .  0 0 "[    .    1    .    2    .    3]" 1 
         75 1  4 VAL MG1 1  6 ASN HA  4.000 . 5.500 4.012 3.527 4.569     .  0 0 "[    .    1    .    2    .    3]" 1 
         76 1  4 VAL MG1 1 52 GLU HB3 4.000 . 5.500 3.026 2.574 3.399     .  0 0 "[    .    1    .    2    .    3]" 1 
         77 1  4 VAL MG1 1 54 ARG QD  4.000 . 5.500 2.782 1.950 4.090     .  0 0 "[    .    1    .    2    .    3]" 1 
         78 1  4 VAL MG1 1  5 ILE HA  4.000 . 5.500 3.916 3.679 4.208     .  0 0 "[    .    1    .    2    .    3]" 1 
         79 1  4 VAL H   1  4 VAL MG2 4.000 . 5.500 3.011 2.661 3.269     .  0 0 "[    .    1    .    2    .    3]" 1 
         80 1  2 LYS QE  1  4 VAL MG2 3.000 . 3.800 2.348 1.730 2.859 0.070 12 0 "[    .    1    .    2    .    3]" 1 
         81 1  4 VAL MG2 1  5 ILE H   4.000 . 5.500 4.012 3.849 4.225     .  0 0 "[    .    1    .    2    .    3]" 1 
         82 1  4 VAL H   1 23 GLU QG  4.000 . 5.000 2.210 1.860 2.931     .  0 0 "[    .    1    .    2    .    3]" 1 
         83 1  4 VAL H   1 23 GLU QB  4.000 . 5.000 3.318 2.293 3.832     .  0 0 "[    .    1    .    2    .    3]" 1 
         84 1  4 VAL H   1 52 GLU HB3 4.000 . 5.000 5.005 4.790 5.064 0.064  8 0 "[    .    1    .    2    .    3]" 1 
         85 1  5 ILE H   1  5 ILE HA  3.000 . 3.300 2.965 2.930 2.994     .  0 0 "[    .    1    .    2    .    3]" 1 
         86 1  5 ILE HA  1  6 ASN H   2.400 . 2.700 2.205 2.157 2.365     .  0 0 "[    .    1    .    2    .    3]" 1 
         87 1  5 ILE HA  1  5 ILE QG  3.000 . 3.800 2.753 2.076 2.923     .  0 0 "[    .    1    .    2    .    3]" 1 
         88 1  5 ILE HA  1  5 ILE MG  3.000 . 3.800 2.166 2.079 2.441     .  0 0 "[    .    1    .    2    .    3]" 1 
         89 1  5 ILE HA  1 19 THR MG  3.000 . 3.800 2.297 1.831 2.748     .  0 0 "[    .    1    .    2    .    3]" 1 
         90 1  5 ILE HA  1  5 ILE MD  4.000 . 5.500 2.684 2.379 3.893     .  0 0 "[    .    1    .    2    .    3]" 1 
         91 1  5 ILE HB  1  5 ILE MD  3.000 . 3.800 2.982 1.929 3.169     .  0 0 "[    .    1    .    2    .    3]" 1 
         92 1  5 ILE HB  1 53 TRP HA  3.000 . 3.300 1.900 1.787 2.151 0.013 10 0 "[    .    1    .    2    .    3]" 1 
         93 1  5 ILE HB  1 53 TRP HD1 4.000 . 5.000 2.788 2.575 2.992     .  0 0 "[    .    1    .    2    .    3]" 1 
         94 1  5 ILE H   1  5 ILE HB  3.000 . 3.300 2.631 2.290 2.724     .  0 0 "[    .    1    .    2    .    3]" 1 
         95 1  5 ILE HB  1 54 ARG H   4.000 . 5.000 2.481 1.913 3.375     .  0 0 "[    .    1    .    2    .    3]" 1 
         96 1  5 ILE MD  1 53 TRP HA  4.000 . 5.500 3.579 1.937 3.933     .  0 0 "[    .    1    .    2    .    3]" 1 
         97 1  5 ILE H   1  5 ILE MD  4.000 . 5.500 3.504 2.456 3.756     .  0 0 "[    .    1    .    2    .    3]" 1 
         98 1  5 ILE MD  1 51 LEU MD1 3.000 . 4.300 2.345 1.764 2.601 0.036 15 0 "[    .    1    .    2    .    3]" 1 
         99 1  5 ILE MD  1 20 LEU MD2 3.000 . 4.300 1.800 1.567 2.601 0.233  3 0 "[    .    1    .    2    .    3]" 1 
        100 1  5 ILE MD  1 16 LEU MD1 3.000 . 4.300 2.139 1.792 3.048 0.008 12 0 "[    .    1    .    2    .    3]" 1 
        101 1  5 ILE MD  1 19 THR MG  4.000 . 6.000 2.662 2.074 3.721     .  0 0 "[    .    1    .    2    .    3]" 1 
        102 1  4 VAL HA  1  5 ILE MD  4.000 . 5.500 4.472 3.467 4.607     .  0 0 "[    .    1    .    2    .    3]" 1 
        103 1  5 ILE MD  1 70 VAL HB  4.000 . 5.500 4.370 4.150 4.644     .  0 0 "[    .    1    .    2    .    3]" 1 
        104 1  5 ILE MG  1  7 GLY QA  4.000 . 5.500 3.769 3.052 4.086     .  0 0 "[    .    1    .    2    .    3]" 1 
        105 1  5 ILE MG  1 19 THR MG  4.000 . 6.000 3.201 2.729 3.919     .  0 0 "[    .    1    .    2    .    3]" 1 
        106 1  5 ILE H   1  5 ILE MG  4.000 . 5.500 3.812 3.696 3.901     .  0 0 "[    .    1    .    2    .    3]" 1 
        107 1  5 ILE MG  1  6 ASN H   4.000 . 5.500 2.799 2.201 3.343     .  0 0 "[    .    1    .    2    .    3]" 1 
        108 1  5 ILE MG  1 16 LEU MD1 3.000 . 4.300 2.185 1.893 2.791     .  0 0 "[    .    1    .    2    .    3]" 1 
        109 1  5 ILE QG  1  5 ILE MG  3.000 . 3.800 2.430 1.917 2.555     .  0 0 "[    .    1    .    2    .    3]" 1 
        110 1  5 ILE MG  1  7 GLY H   4.000 . 5.500 3.830 2.805 4.448     .  0 0 "[    .    1    .    2    .    3]" 1 
        111 1  5 ILE H   1 53 TRP HA  4.000 . 5.000 2.351 2.162 2.493     .  0 0 "[    .    1    .    2    .    3]" 1 
        112 1  5 ILE H   1  5 ILE QG  3.000 . 3.300 2.168 1.847 3.083     .  0 0 "[    .    1    .    2    .    3]" 1 
        113 1  5 ILE H   1 51 LEU MD1 4.000 . 5.500 4.544 4.334 4.635     .  0 0 "[    .    1    .    2    .    3]" 1 
        114 1  5 ILE H   1 54 ARG QG  4.000 . 5.000 3.314 2.949 4.011     .  0 0 "[    .    1    .    2    .    3]" 1 
        115 1  6 ASN HA  1  7 GLY H   3.000 . 3.300 2.281 2.179 3.464 0.164 27 0 "[    .    1    .    2    .    3]" 1 
        116 1  6 ASN HA  1 54 ARG QB  3.000 . 3.300 2.217 1.787 2.792 0.013 27 0 "[    .    1    .    2    .    3]" 1 
        117 1  6 ASN HA  1  6 ASN HB2 3.000 . 3.300 2.989 2.979 2.999     .  0 0 "[    .    1    .    2    .    3]" 1 
        118 1  5 ILE H   1  6 ASN HA  4.000 . 5.000 5.025 4.895 5.127 0.127  6 0 "[    .    1    .    2    .    3]" 1 
        119 1  5 ILE HA  1  6 ASN HA  4.000 . 5.000 4.445 4.415 4.495     .  0 0 "[    .    1    .    2    .    3]" 1 
        120 1  6 ASN HA  1 54 ARG QG  4.000 . 5.000 2.687 1.855 3.429     .  0 0 "[    .    1    .    2    .    3]" 1 
        121 1  6 ASN HB2 1  6 ASN QD  3.000 . 3.300 2.811 2.297 3.045     .  0 0 "[    .    1    .    2    .    3]" 1 
        122 1  6 ASN HB2 1  9 GLN H   4.000 . 5.000 2.905 2.377 3.273     .  0 0 "[    .    1    .    2    .    3]" 1 
        123 1  6 ASN HB2 1  7 GLY H   4.000 . 5.000 4.182 2.918 4.314     .  0 0 "[    .    1    .    2    .    3]" 1 
        124 1  5 ILE HA  1  6 ASN HB2 4.000 . 5.000 5.053 4.998 5.092 0.092  9 0 "[    .    1    .    2    .    3]" 1 
        125 1  6 ASN H   1  6 ASN HB2 3.000 . 3.300 2.931 2.886 3.026     .  0 0 "[    .    1    .    2    .    3]" 1 
        126 1  6 ASN HB2 1  9 GLN QB  3.000 . 3.300 2.624 1.895 2.974     .  0 0 "[    .    1    .    2    .    3]" 1 
        127 1  6 ASN H   1  6 ASN HB3 4.000 . 5.000 3.775 3.595 3.901     .  0 0 "[    .    1    .    2    .    3]" 1 
        128 1  6 ASN HB3 1  6 ASN QD  3.000 . 3.300 2.430 2.211 2.962     .  0 0 "[    .    1    .    2    .    3]" 1 
        129 1  6 ASN HB3 1  9 GLN H   4.000 . 5.000 3.649 2.604 4.147     .  0 0 "[    .    1    .    2    .    3]" 1 
        130 1  6 ASN HB3 1  7 GLY H   4.000 . 5.000 3.962 3.597 4.179     .  0 0 "[    .    1    .    2    .    3]" 1 
        131 1  6 ASN HB3 1  9 GLN QB  4.000 . 5.000 3.634 2.202 4.462     .  0 0 "[    .    1    .    2    .    3]" 1 
        132 1  5 ILE HB  1  6 ASN H   4.000 . 5.000 4.162 3.673 4.509     .  0 0 "[    .    1    .    2    .    3]" 1 
        133 1  6 ASN H   1  7 GLY QA  4.000 . 5.000 4.501 4.395 4.541     .  0 0 "[    .    1    .    2    .    3]" 1 
        134 1  7 GLY QA  1 10 ILE QG  4.000 . 5.000 2.848 2.011 3.747     .  0 0 "[    .    1    .    2    .    3]" 1 
        135 1  7 GLY QA  1 59 SER QB  4.000 . 5.000 2.623 1.726 3.547 0.074 15 0 "[    .    1    .    2    .    3]" 1 
        136 1  6 ASN HA  1  7 GLY QA  4.000 . 5.000 4.022 3.969 4.260     .  0 0 "[    .    1    .    2    .    3]" 1 
        137 1  7 GLY QA  1  8 GLU H   3.000 . 3.300 2.923 2.870 2.938     .  0 0 "[    .    1    .    2    .    3]" 1 
        138 1  7 GLY QA  1 53 TRP HE1 4.000 . 5.000 4.461 3.952 4.535     .  0 0 "[    .    1    .    2    .    3]" 1 
        139 1  7 GLY H   1 54 ARG QG  4.000 . 5.000 4.228 2.818 4.493     .  0 0 "[    .    1    .    2    .    3]" 1 
        140 1  7 GLY H   1 10 ILE QG  4.000 . 5.000 4.174 2.738 4.495     .  0 0 "[    .    1    .    2    .    3]" 1 
        141 1  7 GLY H   1  8 GLU HA  4.000 . 5.000 5.098 5.033 5.158 0.158 27 0 "[    .    1    .    2    .    3]" 1 
        142 1  6 ASN H   1  7 GLY H   4.000 . 5.000 4.022 2.451 4.244     .  0 0 "[    .    1    .    2    .    3]" 1 
        143 1  7 GLY H   1 54 ARG QB  4.000 . 5.000 2.785 2.078 4.343     .  0 0 "[    .    1    .    2    .    3]" 1 
        144 1  7 GLY H   1 10 ILE HB  4.000 . 5.000 4.871 3.624 5.049 0.049  7 0 "[    .    1    .    2    .    3]" 1 
        145 1  7 GLY H   1  8 GLU H   4.000 . 5.000 2.574 2.334 2.787     .  0 0 "[    .    1    .    2    .    3]" 1 
        146 1  8 GLU HA  1  9 GLN H   3.000 . 3.300 3.394 3.367 3.499 0.199 29 0 "[    .    1    .    2    .    3]" 1 
        147 1  8 GLU H   1  8 GLU HA  3.000 . 3.300 2.916 2.859 2.978     .  0 0 "[    .    1    .    2    .    3]" 1 
        148 1  8 GLU HA  1  8 GLU QG  3.000 . 3.300 2.556 2.181 3.203     .  0 0 "[    .    1    .    2    .    3]" 1 
        149 1  8 GLU H   1  8 GLU QB  3.000 . 3.300 2.387 2.220 3.054     .  0 0 "[    .    1    .    2    .    3]" 1 
        150 1  6 ASN HA  1  8 GLU H   4.000 . 5.000 3.255 3.109 3.991     .  0 0 "[    .    1    .    2    .    3]" 1 
        151 1  8 GLU H   1 10 ILE H   4.000 . 5.000 3.635 3.250 3.767     .  0 0 "[    .    1    .    2    .    3]" 1 
        152 1  8 GLU H   1  9 GLN H   3.000 . 3.300 2.345 2.024 2.539     .  0 0 "[    .    1    .    2    .    3]" 1 
        153 1  8 GLU H   1 10 ILE HB  4.000 . 5.000 4.933 4.577 5.074 0.074  9 0 "[    .    1    .    2    .    3]" 1 
        154 1  8 GLU HG3 1  9 GLN HA  4.000 . 5.000 4.494 3.975 5.091 0.091 29 0 "[    .    1    .    2    .    3]" 1 
        155 1  9 GLN H   1  9 GLN HA  3.000 . 3.300 2.982 2.926 2.989     .  0 0 "[    .    1    .    2    .    3]" 1 
        156 1  9 GLN HA  1  9 GLN HB2 2.400 . 2.700 2.572 2.414 2.722 0.022 27 0 "[    .    1    .    2    .    3]" 1 
        157 1  9 GLN HA  1  9 GLN HB3 3.000 . 3.300 3.013 2.963 3.031     .  0 0 "[    .    1    .    2    .    3]" 1 
        158 1  9 GLN HA  1 11 ARG QG  4.000 . 5.000 4.490 4.458 4.571     .  0 0 "[    .    1    .    2    .    3]" 1 
        159 1  9 GLN HA  1 10 ILE H   3.000 . 3.300 3.428 3.412 3.450 0.150 10 0 "[    .    1    .    2    .    3]" 1 
        160 1  9 GLN H   1  9 GLN QB  3.000 . 3.300 2.481 2.215 2.551     .  0 0 "[    .    1    .    2    .    3]" 1 
        161 1  9 GLN H   1 10 ILE HA  4.000 . 5.000 4.654 4.577 5.030 0.030 29 0 "[    .    1    .    2    .    3]" 1 
        162 1  9 GLN H   1 10 ILE H   2.400 . 2.700 1.898 1.837 2.314     .  0 0 "[    .    1    .    2    .    3]" 1 
        163 1 10 ILE H   1 10 ILE HB  2.400 . 2.700 2.489 2.426 2.640     .  0 0 "[    .    1    .    2    .    3]" 1 
        164 1 10 ILE HB  1 11 ARG H   4.000 . 5.000 4.426 4.309 4.483     .  0 0 "[    .    1    .    2    .    3]" 1 
        165 1 10 ILE H   1 10 ILE MD  4.000 . 5.500 3.453 2.816 3.705     .  0 0 "[    .    1    .    2    .    3]" 1 
        166 1 10 ILE MD  1 11 ARG H   4.000 . 5.500 3.815 3.566 3.961     .  0 0 "[    .    1    .    2    .    3]" 1 
        167 1  5 ILE MG  1 10 ILE MD  4.000 . 6.000 3.580 2.699 4.064     .  0 0 "[    .    1    .    2    .    3]" 1 
        168 1 10 ILE MD  1 10 ILE MG  3.000 . 4.300 1.809 1.590 2.049 0.210 13 0 "[    .    1    .    2    .    3]" 1 
        169 1 10 ILE MD  1 16 LEU HA  3.000 . 3.800 1.900 1.746 2.230 0.054 24 0 "[    .    1    .    2    .    3]" 1 
        170 1 10 ILE MD  1 15 ASP HB3 3.000 . 3.800 1.780 1.696 2.261 0.104  6 0 "[    .    1    .    2    .    3]" 1 
        171 1 10 ILE HA  1 10 ILE MD  3.000 . 3.800 2.094 1.817 2.235     .  0 0 "[    .    1    .    2    .    3]" 1 
        172 1 10 ILE QG  1 10 ILE MG  3.000 . 3.800 2.308 2.130 2.428     .  0 0 "[    .    1    .    2    .    3]" 1 
        173 1 10 ILE MG  1 15 ASP HB3 3.000 . 3.800 2.713 2.227 3.226     .  0 0 "[    .    1    .    2    .    3]" 1 
        174 1 10 ILE MG  1 15 ASP HB2 3.000 . 3.800 2.461 2.193 3.023     .  0 0 "[    .    1    .    2    .    3]" 1 
        175 1 10 ILE MG  1 12 SER H   3.000 . 3.800 2.716 2.411 2.875     .  0 0 "[    .    1    .    2    .    3]" 1 
        176 1 10 ILE MG  1 11 ARG H   3.000 . 3.800 3.153 3.004 3.206     .  0 0 "[    .    1    .    2    .    3]" 1 
        177 1  5 ILE MG  1 10 ILE MG  4.000 . 6.000 4.102 3.838 4.205     .  0 0 "[    .    1    .    2    .    3]" 1 
        178 1 10 ILE H   1 10 ILE MG  4.000 . 5.500 3.776 3.761 3.799     .  0 0 "[    .    1    .    2    .    3]" 1 
        179 1 10 ILE HA  1 10 ILE MG  3.000 . 3.800 2.312 2.206 2.376     .  0 0 "[    .    1    .    2    .    3]" 1 
        180 1 10 ILE MG  1 13 ILE HA  3.000 . 3.800 3.090 2.856 3.197     .  0 0 "[    .    1    .    2    .    3]" 1 
        181 1 10 ILE MG  1 16 LEU HA  4.000 . 5.500 2.866 2.007 3.494     .  0 0 "[    .    1    .    2    .    3]" 1 
        182 1 10 ILE H   1 10 ILE QG  3.000 . 3.300 2.230 1.997 2.403     .  0 0 "[    .    1    .    2    .    3]" 1 
        183 1  9 GLN QB  1 10 ILE H   3.000 . 3.300 2.957 2.947 2.967     .  0 0 "[    .    1    .    2    .    3]" 1 
        184 1 10 ILE H   1 10 ILE HA  3.000 . 3.300 2.901 2.850 2.955     .  0 0 "[    .    1    .    2    .    3]" 1 
        185 1 11 ARG HA  1 62 LEU MD2 4.000 . 5.500 4.087 3.003 4.598     .  0 0 "[    .    1    .    2    .    3]" 1 
        186 1 11 ARG HA  1 11 ARG QG  3.000 . 3.300 2.786 2.756 2.805     .  0 0 "[    .    1    .    2    .    3]" 1 
        187 1 11 ARG HA  1 11 ARG HB3 3.000 . 3.300 2.288 2.280 2.293     .  0 0 "[    .    1    .    2    .    3]" 1 
        188 1 11 ARG HA  1 11 ARG HB2 3.000 . 3.300 2.964 2.956 2.970     .  0 0 "[    .    1    .    2    .    3]" 1 
        189 1 11 ARG HB2 1 11 ARG QD  3.000 . 3.300 2.576 2.451 2.889     .  0 0 "[    .    1    .    2    .    3]" 1 
        190 1 11 ARG H   1 11 ARG HB2 3.000 . 3.300 3.077 2.998 3.180     .  0 0 "[    .    1    .    2    .    3]" 1 
        191 1 11 ARG HB2 1 12 SER QB  4.000 . 5.000 3.150 2.962 3.701     .  0 0 "[    .    1    .    2    .    3]" 1 
        192 1 11 ARG HB3 1 12 SER QB  4.000 . 5.000 4.353 4.140 4.464     .  0 0 "[    .    1    .    2    .    3]" 1 
        193 1 11 ARG HB3 1 11 ARG QD  3.000 . 3.300 2.279 2.137 2.726     .  0 0 "[    .    1    .    2    .    3]" 1 
        194 1 11 ARG H   1 11 ARG HB3 4.000 . 5.000 3.550 3.502 3.579     .  0 0 "[    .    1    .    2    .    3]" 1 
        195 1 11 ARG HB3 1 11 ARG QG  2.400 . 2.700 2.427 2.421 2.437     .  0 0 "[    .    1    .    2    .    3]" 1 
        196 1 10 ILE H   1 11 ARG H   4.000 . 5.000 4.285 4.131 4.396     .  0 0 "[    .    1    .    2    .    3]" 1 
        197 1 11 ARG H   1 12 SER H   3.000 . 3.300 2.601 2.460 2.878     .  0 0 "[    .    1    .    2    .    3]" 1 
        198 1 10 ILE HA  1 11 ARG H   2.400 . 2.700 2.215 2.169 2.256     .  0 0 "[    .    1    .    2    .    3]" 1 
        199 1 11 ARG H   1 11 ARG QG  3.000 . 3.300 1.758 1.722 1.777 0.078  9 0 "[    .    1    .    2    .    3]" 1 
        200 1 11 ARG H   1 15 ASP QB  4.000 . 5.000 2.489 1.831 2.718     .  0 0 "[    .    1    .    2    .    3]" 1 
        201 1 10 ILE MD  1 12 SER H   4.000 . 5.500 4.366 4.140 4.601     .  0 0 "[    .    1    .    2    .    3]" 1 
        202 1 11 ARG QG  1 12 SER H   3.000 . 3.300 3.053 3.028 3.092     .  0 0 "[    .    1    .    2    .    3]" 1 
        203 1 11 ARG HB3 1 12 SER H   4.000 . 5.000 3.935 3.905 3.963     .  0 0 "[    .    1    .    2    .    3]" 1 
        204 1 10 ILE HB  1 12 SER H   4.000 . 5.000 5.022 4.692 5.049 0.049 22 0 "[    .    1    .    2    .    3]" 1 
        205 1 13 ILE HB  1 13 ILE MD  3.000 . 3.800 2.562 2.076 3.180     .  0 0 "[    .    1    .    2    .    3]" 1 
        206 1 13 ILE HA  1 13 ILE HB  2.400 . 2.700 2.519 2.416 2.717 0.017 15 0 "[    .    1    .    2    .    3]" 1 
        207 1 13 ILE HB  1 14 SER H   4.000 . 5.000 3.992 3.625 4.140     .  0 0 "[    .    1    .    2    .    3]" 1 
        208 1 13 ILE HB  1 63 THR HB  4.000 . 5.000 2.270 1.834 3.312     .  0 0 "[    .    1    .    2    .    3]" 1 
        209 1 13 ILE H   1 13 ILE HB  4.000 . 5.000 2.560 2.337 3.270     .  0 0 "[    .    1    .    2    .    3]" 1 
        210 1 12 SER HA  1 13 ILE HB  4.000 . 5.000 4.683 3.941 4.954     .  0 0 "[    .    1    .    2    .    3]" 1 
        211 1 13 ILE MD  1 16 LEU HB3 3.000 . 3.800 2.312 1.735 2.946 0.065 23 0 "[    .    1    .    2    .    3]" 1 
        212 1 13 ILE MD  1 66 GLY QA  4.000 . 5.500 2.170 1.732 3.127 0.068 17 0 "[    .    1    .    2    .    3]" 1 
        213 1 13 ILE HA  1 13 ILE MD  3.000 . 3.800 2.285 1.785 3.205 0.015 24 0 "[    .    1    .    2    .    3]" 1 
        214 1 13 ILE MD  1 67 ALA H   4.000 . 5.500 3.239 2.176 4.667     .  0 0 "[    .    1    .    2    .    3]" 1 
        215 1 13 ILE MD  1 63 THR HB  4.000 . 5.500 3.883 2.934 4.600     .  0 0 "[    .    1    .    2    .    3]" 1 
        216 1 13 ILE QG  1 13 ILE MG  3.000 . 3.800 2.185 2.029 2.473     .  0 0 "[    .    1    .    2    .    3]" 1 
        217 1 13 ILE MG  1 14 SER H   3.000 . 3.800 2.071 1.865 2.449     .  0 0 "[    .    1    .    2    .    3]" 1 
        218 1 13 ILE HA  1 13 ILE MG  3.000 . 3.800 3.178 3.130 3.193     .  0 0 "[    .    1    .    2    .    3]" 1 
        219 1 13 ILE MG  1 14 SER HA  4.000 . 5.500 3.116 2.934 3.475     .  0 0 "[    .    1    .    2    .    3]" 1 
        220 1 12 SER HA  1 13 ILE MG  4.000 . 5.500 4.335 4.095 4.596     .  0 0 "[    .    1    .    2    .    3]" 1 
        221 1 13 ILE MG  1 14 SER QB  4.000 . 5.500 3.453 3.131 3.949     .  0 0 "[    .    1    .    2    .    3]" 1 
        222 1 13 ILE H   1 13 ILE QG  4.000 . 5.000 4.091 3.962 4.458     .  0 0 "[    .    1    .    2    .    3]" 1 
        223 1 13 ILE H   1 63 THR MG  4.000 . 5.500 4.067 3.132 4.589     .  0 0 "[    .    1    .    2    .    3]" 1 
        224 1 13 ILE H   1 13 ILE HA  3.000 . 3.300 2.731 2.325 2.830     .  0 0 "[    .    1    .    2    .    3]" 1 
        225 1 14 SER QB  1 15 ASP H   4.000 . 5.000 2.542 2.229 3.397     .  0 0 "[    .    1    .    2    .    3]" 1 
        226 1 14 SER H   1 14 SER HA  3.000 . 3.300 2.829 2.795 2.852     .  0 0 "[    .    1    .    2    .    3]" 1 
        227 1 14 SER H   1 15 ASP H   3.000 . 3.300 2.856 2.693 2.999     .  0 0 "[    .    1    .    2    .    3]" 1 
        228 1 14 SER H   1 14 SER QB  3.000 . 3.300 2.368 2.066 2.876     .  0 0 "[    .    1    .    2    .    3]" 1 
        229 1 15 ASP HA  1 18 GLN QB  4.000 . 5.000 2.448 2.019 3.718     .  0 0 "[    .    1    .    2    .    3]" 1 
        230 1 15 ASP HA  1 15 ASP HB3 3.000 . 3.300 2.770 2.754 2.788     .  0 0 "[    .    1    .    2    .    3]" 1 
        231 1 15 ASP HA  1 15 ASP HB2 3.000 . 3.300 2.924 2.912 2.935     .  0 0 "[    .    1    .    2    .    3]" 1 
        232 1 15 ASP H   1 15 ASP HA  3.000 . 3.300 2.873 2.832 2.920     .  0 0 "[    .    1    .    2    .    3]" 1 
        233 1 10 ILE HA  1 15 ASP HB2 3.000 . 3.300 2.631 1.879 2.918     .  0 0 "[    .    1    .    2    .    3]" 1 
        234 1 15 ASP H   1 15 ASP HB2 3.000 . 3.300 2.079 2.055 2.097     .  0 0 "[    .    1    .    2    .    3]" 1 
        235 1 10 ILE MD  1 15 ASP HB2 3.000 . 3.800 2.843 2.623 3.134     .  0 0 "[    .    1    .    2    .    3]" 1 
        236 1 11 ARG H   1 15 ASP HB2 3.000 . 3.300 2.590 1.841 2.881     .  0 0 "[    .    1    .    2    .    3]" 1 
        237 1 12 SER H   1 15 ASP HB2 3.000 . 3.300 2.594 2.354 3.351 0.051 24 0 "[    .    1    .    2    .    3]" 1 
        238 1 10 ILE HA  1 15 ASP HB3 3.000 . 3.300 2.138 1.915 2.268     .  0 0 "[    .    1    .    2    .    3]" 1 
        239 1 11 ARG H   1 15 ASP HB3 3.000 . 3.300 3.301 3.121 3.371 0.071 18 0 "[    .    1    .    2    .    3]" 1 
        240 1 15 ASP H   1 15 ASP HB3 3.000 . 3.300 3.380 3.340 3.399 0.099 11 0 "[    .    1    .    2    .    3]" 1 
        241 1 10 ILE MG  1 15 ASP H   3.000 . 3.800 3.166 3.006 3.208     .  0 0 "[    .    1    .    2    .    3]" 1 
        242 1 15 ASP H   1 16 LEU H   3.000 . 3.300 2.515 2.352 2.655     .  0 0 "[    .    1    .    2    .    3]" 1 
        243 1 10 ILE MD  1 15 ASP H   4.000 . 5.500 3.803 3.456 4.122     .  0 0 "[    .    1    .    2    .    3]" 1 
        244 1 15 ASP H   1 18 GLN QG  4.000 . 5.000 4.424 3.893 4.528     .  0 0 "[    .    1    .    2    .    3]" 1 
        245 1 15 ASP H   1 17 HIS H   4.000 . 5.000 4.688 4.350 5.004 0.004  9 0 "[    .    1    .    2    .    3]" 1 
        246 1 13 ILE HA  1 15 ASP H   4.000 . 5.000 4.399 4.081 4.938     .  0 0 "[    .    1    .    2    .    3]" 1 
        247 1 13 ILE MG  1 15 ASP H   4.000 . 5.500 4.474 4.262 4.584     .  0 0 "[    .    1    .    2    .    3]" 1 
        248 1 15 ASP H   1 16 LEU QB  4.000 . 5.000 4.274 4.123 4.411     .  0 0 "[    .    1    .    2    .    3]" 1 
        249 1 16 LEU H   1 16 LEU HA  3.000 . 3.300 2.876 2.846 2.904     .  0 0 "[    .    1    .    2    .    3]" 1 
        250 1 16 LEU H   1 16 LEU QB  3.000 . 3.300 2.257 2.228 2.277     .  0 0 "[    .    1    .    2    .    3]" 1 
        251 1 16 LEU QB  1 17 HIS H   3.000 . 3.300 2.120 1.942 2.336     .  0 0 "[    .    1    .    2    .    3]" 1 
        252 1 13 ILE MD  1 16 LEU QB  3.000 . 3.800 2.230 1.698 2.892 0.102 23 0 "[    .    1    .    2    .    3]" 1 
        253 1 16 LEU QB  1 17 HIS HD2 4.000 . 5.000 2.540 1.862 3.800     .  0 0 "[    .    1    .    2    .    3]" 1 
        254 1 16 LEU H   1 16 LEU MD1 4.000 . 5.500 4.020 3.974 4.063     .  0 0 "[    .    1    .    2    .    3]" 1 
        255 1 16 LEU HA  1 16 LEU MD1 3.000 . 3.800 1.790 1.770 1.827 0.030 16 0 "[    .    1    .    2    .    3]" 1 
        256 1 16 LEU MD1 1 19 THR H   4.000 . 5.500 3.610 3.428 3.900     .  0 0 "[    .    1    .    2    .    3]" 1 
        257 1 16 LEU MD1 1 53 TRP HE1 4.000 . 5.500 4.545 4.176 4.605     .  0 0 "[    .    1    .    2    .    3]" 1 
        258 1 10 ILE MD  1 16 LEU H   3.000 . 3.800 2.734 2.263 3.105     .  0 0 "[    .    1    .    2    .    3]" 1 
        259 1 15 ASP HB2 1 16 LEU H   3.000 . 3.300 3.311 3.219 3.365 0.065 29 0 "[    .    1    .    2    .    3]" 1 
        260 1 15 ASP HA  1 16 LEU H   3.000 . 3.300 3.422 3.393 3.455 0.155 15 0 "[    .    1    .    2    .    3]" 1 
        261 1 10 ILE MG  1 16 LEU H   4.000 . 5.500 2.563 2.095 2.818     .  0 0 "[    .    1    .    2    .    3]" 1 
        262 1 13 ILE MG  1 16 LEU H   4.000 . 5.500 4.556 4.447 4.612     .  0 0 "[    .    1    .    2    .    3]" 1 
        263 1 17 HIS H   1 17 HIS HA  3.000 . 3.300 2.824 2.780 2.858     .  0 0 "[    .    1    .    2    .    3]" 1 
        264 1 14 SER HA  1 17 HIS HB2 4.000 . 5.000 3.683 3.405 4.036     .  0 0 "[    .    1    .    2    .    3]" 1 
        265 1 17 HIS HB2 1 18 GLN H   3.000 . 3.300 2.996 2.461 3.220     .  0 0 "[    .    1    .    2    .    3]" 1 
        266 1 17 HIS HB2 1 17 HIS HD2 4.000 . 5.000 3.103 2.756 3.679     .  0 0 "[    .    1    .    2    .    3]" 1 
        267 1 17 HIS H   1 17 HIS HB2 3.000 . 3.300 2.491 2.369 2.643     .  0 0 "[    .    1    .    2    .    3]" 1 
        268 1 17 HIS HA  1 17 HIS HB2 3.000 . 3.300 3.025 3.013 3.030     .  0 0 "[    .    1    .    2    .    3]" 1 
        269 1 17 HIS HB2 1 18 GLN QG  4.000 . 5.000 3.485 3.022 3.902     .  0 0 "[    .    1    .    2    .    3]" 1 
        270 1 17 HIS HA  1 17 HIS HB3 3.000 . 3.300 2.497 2.425 2.563     .  0 0 "[    .    1    .    2    .    3]" 1 
        271 1 17 HIS H   1 17 HIS HB3 4.000 . 5.000 3.599 3.570 3.617     .  0 0 "[    .    1    .    2    .    3]" 1 
        272 1 17 HIS HB3 1 18 GLN HG3 4.000 . 5.000 4.998 4.819 5.150 0.150 20 0 "[    .    1    .    2    .    3]" 1 
        273 1 17 HIS HB3 1 17 HIS HD2 4.000 . 5.000 3.919 3.775 4.006     .  0 0 "[    .    1    .    2    .    3]" 1 
        274 1 17 HIS HB3 1 18 GLN H   4.000 . 5.000 3.937 3.388 4.151     .  0 0 "[    .    1    .    2    .    3]" 1 
        275 1 13 ILE QG  1 17 HIS HD2 3.000 . 3.300 2.194 1.844 2.907     .  0 0 "[    .    1    .    2    .    3]" 1 
        276 1 17 HIS HA  1 17 HIS HD2 4.000 . 5.000 3.689 2.810 4.484     .  0 0 "[    .    1    .    2    .    3]" 1 
        277 1 14 SER HA  1 17 HIS HD2 4.000 . 5.000 3.886 2.938 4.912     .  0 0 "[    .    1    .    2    .    3]" 1 
        278 1 13 ILE HB  1 17 HIS HD2 4.000 . 5.000 4.949 4.581 5.129 0.129  1 0 "[    .    1    .    2    .    3]" 1 
        279 1 17 HIS HD2 1 32 GLU QB  4.000 . 5.000 3.530 2.418 4.500     .  0 0 "[    .    1    .    2    .    3]" 1 
        280 1 16 LEU HG  1 17 HIS HD2 4.000 . 5.000 3.729 2.282 5.015 0.015 23 0 "[    .    1    .    2    .    3]" 1 
        281 1 13 ILE HA  1 17 HIS HD2 4.000 . 5.000 3.978 3.144 4.716     .  0 0 "[    .    1    .    2    .    3]" 1 
        282 1 13 ILE MD  1 17 HIS HD2 3.000 . 3.800 2.695 1.790 3.188 0.010 27 0 "[    .    1    .    2    .    3]" 1 
        283 1 13 ILE MG  1 17 HIS HD2 4.000 . 5.500 3.745 2.711 4.345     .  0 0 "[    .    1    .    2    .    3]" 1 
        284 1 13 ILE QG  1 17 HIS HE1 4.000 . 5.000 4.205 3.277 4.547     .  0 0 "[    .    1    .    2    .    3]" 1 
        285 1 17 HIS HE1 1 32 GLU QB  4.000 . 5.000 3.761 2.257 4.534     .  0 0 "[    .    1    .    2    .    3]" 1 
        286 1 16 LEU H   1 17 HIS H   2.400 . 2.700 2.772 2.713 2.841 0.141 20 0 "[    .    1    .    2    .    3]" 1 
        287 1 13 ILE MD  1 17 HIS H   4.000 . 5.500 3.413 2.761 4.314     .  0 0 "[    .    1    .    2    .    3]" 1 
        288 1 16 LEU MD1 1 17 HIS H   4.000 . 5.500 3.649 3.367 3.927     .  0 0 "[    .    1    .    2    .    3]" 1 
        289 1 17 HIS H   1 17 HIS QB  2.400 . 2.700 2.448 2.338 2.577     .  0 0 "[    .    1    .    2    .    3]" 1 
        290 1 17 HIS H   1 18 GLN H   2.400 . 2.700 2.675 2.598 2.832 0.132 20 0 "[    .    1    .    2    .    3]" 1 
        291 1 18 GLN HA  1 21 LYS QB  4.000 . 5.000 2.068 1.991 2.172     .  0 0 "[    .    1    .    2    .    3]" 1 
        292 1 18 GLN H   1 18 GLN HA  3.000 . 3.300 2.921 2.850 2.934     .  0 0 "[    .    1    .    2    .    3]" 1 
        293 1 18 GLN HA  1 21 LYS H   3.000 . 3.300 3.225 2.950 3.339 0.039 13 0 "[    .    1    .    2    .    3]" 1 
        294 1 18 GLN H   1 18 GLN QB  3.000 . 3.300 2.458 2.317 2.839     .  0 0 "[    .    1    .    2    .    3]" 1 
        295 1 18 GLN QB  1 19 THR H   4.000 . 5.000 2.686 2.204 3.350     .  0 0 "[    .    1    .    2    .    3]" 1 
        296 1 17 HIS HA  1 18 GLN H   3.000 . 3.300 3.436 3.387 3.509 0.209 20 0 "[    .    1    .    2    .    3]" 1 
        297 1 19 THR MG  1 22 LYS H   4.000 . 5.500 4.425 4.218 4.570     .  0 0 "[    .    1    .    2    .    3]" 1 
        298 1  4 VAL H   1 19 THR MG  4.000 . 5.500 3.396 2.948 3.737     .  0 0 "[    .    1    .    2    .    3]" 1 
        299 1 19 THR HB  1 19 THR MG  2.400 . 3.200 2.114 2.103 2.146     .  0 0 "[    .    1    .    2    .    3]" 1 
        300 1 19 THR MG  1 23 GLU QG  3.000 . 3.800 2.595 2.181 2.839     .  0 0 "[    .    1    .    2    .    3]" 1 
        301 1 19 THR HA  1 19 THR MG  2.400 . 3.200 2.532 2.402 2.663     .  0 0 "[    .    1    .    2    .    3]" 1 
        302 1 19 THR MG  1 20 LEU HA  4.000 . 5.500 3.392 3.149 3.495     .  0 0 "[    .    1    .    2    .    3]" 1 
        303 1  5 ILE H   1 19 THR MG  4.000 . 5.500 4.260 3.806 4.613     .  0 0 "[    .    1    .    2    .    3]" 1 
        304 1 19 THR H   1 19 THR MG  4.000 . 5.500 3.700 3.611 3.753     .  0 0 "[    .    1    .    2    .    3]" 1 
        305 1 19 THR MG  1 20 LEU H   4.000 . 5.500 3.287 3.111 3.424     .  0 0 "[    .    1    .    2    .    3]" 1 
        306 1 16 LEU MD1 1 19 THR MG  3.000 . 4.300 3.002 2.979 3.017     .  0 0 "[    .    1    .    2    .    3]" 1 
        307 1 19 THR MG  1 20 LEU MD2 4.000 . 6.000 2.307 2.030 2.649     .  0 0 "[    .    1    .    2    .    3]" 1 
        308 1 18 GLN HA  1 19 THR H   3.000 . 3.300 3.471 3.445 3.517 0.217 22 0 "[    .    1    .    2    .    3]" 1 
        309 1 18 GLN H   1 19 THR H   3.000 . 3.300 2.344 2.214 2.645     .  0 0 "[    .    1    .    2    .    3]" 1 
        310 1 19 THR H   1 19 THR HB  2.400 . 2.700 2.291 2.182 2.401     .  0 0 "[    .    1    .    2    .    3]" 1 
        311 1 10 ILE MD  1 19 THR H   4.000 . 5.500 3.399 2.924 3.833     .  0 0 "[    .    1    .    2    .    3]" 1 
        312 1 19 THR H   1 20 LEU MD2 4.000 . 5.500 4.293 3.857 4.590     .  0 0 "[    .    1    .    2    .    3]" 1 
        313 1 19 THR H   1 20 LEU HG  4.000 . 5.000 3.634 3.476 3.904     .  0 0 "[    .    1    .    2    .    3]" 1 
        314 1 19 THR H   1 21 LYS QB  4.000 . 5.000 4.494 4.468 4.557     .  0 0 "[    .    1    .    2    .    3]" 1 
        315 1 20 LEU H   1 20 LEU HA  3.000 . 3.300 2.939 2.920 2.952     .  0 0 "[    .    1    .    2    .    3]" 1 
        316 1 20 LEU HA  1 23 GLU H   3.000 . 3.300 3.254 2.996 3.367 0.067 21 0 "[    .    1    .    2    .    3]" 1 
        317 1 20 LEU HA  1 20 LEU HB2 3.000 . 3.300 2.996 2.965 3.011     .  0 0 "[    .    1    .    2    .    3]" 1 
        318 1 20 LEU HA  1 20 LEU MD2 2.400 . 3.200 2.076 1.922 2.352     .  0 0 "[    .    1    .    2    .    3]" 1 
        319 1 20 LEU HA  1 22 LYS H   4.000 . 5.000 3.843 3.659 3.995     .  0 0 "[    .    1    .    2    .    3]" 1 
        320 1 20 LEU HA  1 20 LEU HG  3.000 . 3.300 3.345 3.203 3.451 0.151 27 0 "[    .    1    .    2    .    3]" 1 
        321 1 20 LEU HA  1 23 GLU QB  4.000 . 5.000 2.979 2.572 3.919     .  0 0 "[    .    1    .    2    .    3]" 1 
        322 1 20 LEU HA  1 20 LEU MD1 4.000 . 5.500 3.916 3.837 3.968     .  0 0 "[    .    1    .    2    .    3]" 1 
        323 1 20 LEU HA  1 21 LYS H   4.000 . 5.000 3.486 3.444 3.508     .  0 0 "[    .    1    .    2    .    3]" 1 
        324 1 20 LEU HA  1 24 LEU H   4.000 . 5.000 3.210 3.114 3.408     .  0 0 "[    .    1    .    2    .    3]" 1 
        325 1 20 LEU HB2 1 21 LYS H   3.000 . 3.300 2.740 2.610 2.995     .  0 0 "[    .    1    .    2    .    3]" 1 
        326 1 20 LEU HB2 1 20 LEU MD2 3.000 . 3.800 3.185 3.175 3.192     .  0 0 "[    .    1    .    2    .    3]" 1 
        327 1 17 HIS HA  1 20 LEU HB2 3.000 . 3.300 3.243 3.027 3.445 0.145 18 0 "[    .    1    .    2    .    3]" 1 
        328 1 20 LEU HB2 1 20 LEU MD1 3.000 . 3.800 2.330 2.237 2.463     .  0 0 "[    .    1    .    2    .    3]" 1 
        329 1 20 LEU HB2 1 20 LEU HG  3.000 . 3.300 2.465 2.398 2.527     .  0 0 "[    .    1    .    2    .    3]" 1 
        330 1 20 LEU H   1 20 LEU HB2 3.000 . 3.300 2.885 2.797 3.024     .  0 0 "[    .    1    .    2    .    3]" 1 
        331 1 20 LEU HB3 1 21 LYS H   4.000 . 5.000 4.020 3.924 4.194     .  0 0 "[    .    1    .    2    .    3]" 1 
        332 1 20 LEU H   1 20 LEU HB3 4.000 . 5.000 3.656 3.638 3.680     .  0 0 "[    .    1    .    2    .    3]" 1 
        333 1 17 HIS HA  1 20 LEU HB3 4.000 . 5.000 4.656 4.275 5.008 0.008 13 0 "[    .    1    .    2    .    3]" 1 
        334 1 20 LEU MD1 1 67 ALA HA  4.000 . 5.500 4.546 4.281 4.659     .  0 0 "[    .    1    .    2    .    3]" 1 
        335 1 16 LEU HA  1 20 LEU MD1 4.000 . 5.500 4.535 4.363 4.633     .  0 0 "[    .    1    .    2    .    3]" 1 
        336 1 20 LEU HB3 1 20 LEU MD1 3.000 . 3.800 2.348 2.230 2.427     .  0 0 "[    .    1    .    2    .    3]" 1 
        337 1 20 LEU MD1 1 21 LYS H   4.000 . 5.500 4.316 4.159 4.475     .  0 0 "[    .    1    .    2    .    3]" 1 
        338 1 20 LEU H   1 20 LEU MD1 4.000 . 5.500 3.485 3.365 3.552     .  0 0 "[    .    1    .    2    .    3]" 1 
        339 1 17 HIS HA  1 20 LEU MD1 3.000 . 3.800 2.394 1.833 3.143     .  0 0 "[    .    1    .    2    .    3]" 1 
        340 1 20 LEU MD1 1 74 PHE QE  3.000 . 3.800 2.450 1.852 2.804     .  0 0 "[    .    1    .    2    .    3]" 1 
        341 1 20 LEU MD1 1 74 PHE QD  4.000 . 5.500 3.934 3.709 4.117     .  0 0 "[    .    1    .    2    .    3]" 1 
        342 1 20 LEU HB3 1 20 LEU MD2 3.000 . 3.800 2.382 2.285 2.461     .  0 0 "[    .    1    .    2    .    3]" 1 
        343 1  4 VAL H   1 20 LEU MD2 4.000 . 5.500 4.603 4.366 4.655     .  0 0 "[    .    1    .    2    .    3]" 1 
        344 1 20 LEU H   1 20 LEU MD2 3.000 . 3.800 2.759 2.488 3.049     .  0 0 "[    .    1    .    2    .    3]" 1 
        345 1 20 LEU MD2 1 20 LEU HG  2.400 . 3.200 2.137 2.113 2.152     .  0 0 "[    .    1    .    2    .    3]" 1 
        346 1 20 LEU MD2 1 74 PHE QE  3.000 . 3.800 2.755 2.456 2.840     .  0 0 "[    .    1    .    2    .    3]" 1 
        347 1 19 THR HA  1 20 LEU H   3.000 . 3.300 3.482 3.467 3.495 0.195 14 0 "[    .    1    .    2    .    3]" 1 
        348 1 19 THR HB  1 20 LEU H   3.000 . 3.300 2.822 2.709 2.933     .  0 0 "[    .    1    .    2    .    3]" 1 
        349 1 20 LEU H   1 20 LEU HG  2.400 . 2.700 1.756 1.708 1.803 0.092 20 0 "[    .    1    .    2    .    3]" 1 
        350 1 21 LYS HA  1 26 LEU HG  3.000 . 3.300 1.888 1.825 2.102     .  0 0 "[    .    1    .    2    .    3]" 1 
        351 1 21 LYS HA  1 21 LYS QG  2.400 . 2.700 2.400 2.060 2.450     .  0 0 "[    .    1    .    2    .    3]" 1 
        352 1 21 LYS HA  1 26 LEU MD2 4.000 . 5.500 3.630 3.536 3.832     .  0 0 "[    .    1    .    2    .    3]" 1 
        353 1 21 LYS HA  1 26 LEU MD1 3.000 . 3.800 2.257 1.924 2.731     .  0 0 "[    .    1    .    2    .    3]" 1 
        354 1 21 LYS HA  1 26 LEU H   3.000 . 3.300 2.241 1.991 2.566     .  0 0 "[    .    1    .    2    .    3]" 1 
        355 1 21 LYS H   1 21 LYS HA  3.000 . 3.300 2.899 2.861 2.920     .  0 0 "[    .    1    .    2    .    3]" 1 
        356 1 21 LYS HA  1 22 LYS H   4.000 . 5.000 3.461 3.438 3.489     .  0 0 "[    .    1    .    2    .    3]" 1 
        357 1 21 LYS H   1 21 LYS QB  3.000 . 3.300 2.244 2.194 2.269     .  0 0 "[    .    1    .    2    .    3]" 1 
        358 1 21 LYS QB  1 26 LEU HB2 3.000 . 3.300 2.975 2.945 3.134     .  0 0 "[    .    1    .    2    .    3]" 1 
        359 1 21 LYS QB  1 22 LYS H   3.000 . 3.300 2.954 2.866 2.995     .  0 0 "[    .    1    .    2    .    3]" 1 
        360 1 19 THR HB  1 21 LYS H   4.000 . 5.000 4.893 4.803 5.007 0.007  5 0 "[    .    1    .    2    .    3]" 1 
        361 1 21 LYS H   1 23 GLU H   4.000 . 5.000 4.204 3.988 4.591     .  0 0 "[    .    1    .    2    .    3]" 1 
        362 1 20 LEU HG  1 21 LYS H   3.000 . 3.300 3.447 3.368 3.504 0.204 15 0 "[    .    1    .    2    .    3]" 1 
        363 1 21 LYS H   1 22 LYS H   2.400 . 2.700 2.460 2.368 2.584     .  0 0 "[    .    1    .    2    .    3]" 1 
        364 1 21 LYS H   1 26 LEU MD1 4.000 . 5.500 3.429 3.112 3.779     .  0 0 "[    .    1    .    2    .    3]" 1 
        365 1 20 LEU H   1 21 LYS H   3.000 . 3.300 2.268 2.227 2.336     .  0 0 "[    .    1    .    2    .    3]" 1 
        366 1 22 LYS H   1 22 LYS QB  3.000 . 3.300 2.262 2.166 2.843     .  0 0 "[    .    1    .    2    .    3]" 1 
        367 1 19 THR HA  1 22 LYS QB  3.000 . 3.300 2.548 2.331 3.128     .  0 0 "[    .    1    .    2    .    3]" 1 
        368 1 22 LYS H   1 22 LYS QG  4.000 . 5.000 3.486 1.797 3.911 0.003 22 0 "[    .    1    .    2    .    3]" 1 
        369 1 22 LYS H   1 22 LYS QD  4.000 . 5.000 4.235 2.428 4.452     .  0 0 "[    .    1    .    2    .    3]" 1 
        370 1 19 THR HA  1 22 LYS H   3.000 . 3.300 3.347 3.280 3.409 0.109 15 0 "[    .    1    .    2    .    3]" 1 
        371 1 22 LYS H   1 23 GLU H   2.400 . 2.700 2.420 2.264 2.562     .  0 0 "[    .    1    .    2    .    3]" 1 
        372 1 21 LYS QG  1 22 LYS H   4.000 . 5.000 3.790 3.580 4.414     .  0 0 "[    .    1    .    2    .    3]" 1 
        373 1 23 GLU QB  1 24 LEU H   4.000 . 5.000 2.241 2.000 2.748     .  0 0 "[    .    1    .    2    .    3]" 1 
        374 1 23 GLU H   1 23 GLU QB  3.000 . 3.300 2.550 2.372 2.944     .  0 0 "[    .    1    .    2    .    3]" 1 
        375 1 22 LYS QG  1 23 GLU H   3.000 . 3.300 2.838 1.936 3.084     .  0 0 "[    .    1    .    2    .    3]" 1 
        376 1 22 LYS QB  1 23 GLU H   4.000 . 5.000 2.772 2.186 3.478     .  0 0 "[    .    1    .    2    .    3]" 1 
        377 1 23 GLU H   1 24 LEU H   3.000 . 3.300 2.609 2.473 2.831     .  0 0 "[    .    1    .    2    .    3]" 1 
        378 1 23 GLU H   1 23 GLU QG  2.400 . 2.700 2.069 1.729 2.388 0.071 29 0 "[    .    1    .    2    .    3]" 1 
        379 1 23 GLU H   1 24 LEU MD1 4.000 . 5.500 4.638 4.612 4.673     .  0 0 "[    .    1    .    2    .    3]" 1 
        380 1 19 THR HA  1 23 GLU H   4.000 . 5.000 3.982 3.821 4.162     .  0 0 "[    .    1    .    2    .    3]" 1 
        381 1 24 LEU H   1 24 LEU HA  3.000 . 3.300 2.876 2.814 2.921     .  0 0 "[    .    1    .    2    .    3]" 1 
        382 1 24 LEU HA  1 24 LEU MD1 4.000 . 5.500 3.938 3.919 3.955     .  0 0 "[    .    1    .    2    .    3]" 1 
        383 1 24 LEU H   1 24 LEU HB2 3.000 . 3.300 2.707 2.655 2.749     .  0 0 "[    .    1    .    2    .    3]" 1 
        384 1 24 LEU HA  1 24 LEU HB2 3.000 . 3.300 3.024 3.016 3.032     .  0 0 "[    .    1    .    2    .    3]" 1 
        385 1 24 LEU HB2 1 26 LEU MD2 3.000 . 3.800 2.158 2.027 2.242     .  0 0 "[    .    1    .    2    .    3]" 1 
        386 1 24 LEU HB3 1 26 LEU MD2 3.000 . 3.800 2.336 1.980 2.711     .  0 0 "[    .    1    .    2    .    3]" 1 
        387 1 24 LEU H   1 24 LEU HB3 4.000 . 5.000 3.605 3.579 3.623     .  0 0 "[    .    1    .    2    .    3]" 1 
        388 1 24 LEU HB2 1 24 LEU MD1 3.000 . 3.800 2.210 2.094 2.276     .  0 0 "[    .    1    .    2    .    3]" 1 
        389 1 24 LEU MD1 1 26 LEU MD1 4.000 . 6.000 2.301 2.039 2.713     .  0 0 "[    .    1    .    2    .    3]" 1 
        390 1 24 LEU MD1 1 74 PHE HZ  3.000 . 3.800 1.837 1.790 2.007 0.010  3 0 "[    .    1    .    2    .    3]" 1 
        391 1 24 LEU H   1 24 LEU MD1 3.000 . 3.800 3.147 3.027 3.217     .  0 0 "[    .    1    .    2    .    3]" 1 
        392 1 20 LEU HA  1 24 LEU MD1 4.000 . 5.500 2.735 2.530 3.026     .  0 0 "[    .    1    .    2    .    3]" 1 
        393 1 24 LEU MD1 1 37 LEU HA  4.000 . 5.500 4.380 3.917 4.606     .  0 0 "[    .    1    .    2    .    3]" 1 
        394 1 24 LEU MD2 1 74 PHE HZ  3.000 . 3.800 2.331 1.760 3.016 0.040  5 0 "[    .    1    .    2    .    3]" 1 
        395 1 24 LEU HA  1 24 LEU MD2 3.000 . 3.800 2.283 2.124 2.453     .  0 0 "[    .    1    .    2    .    3]" 1 
        396 1 24 LEU H   1 24 LEU MD2 3.000 . 3.800 3.257 3.227 3.297     .  0 0 "[    .    1    .    2    .    3]" 1 
        397 1 24 LEU HB3 1 24 LEU MD2 2.400 . 3.200 2.161 2.068 2.274     .  0 0 "[    .    1    .    2    .    3]" 1 
        398 1 23 GLU QG  1 24 LEU H   4.000 . 5.000 3.638 1.873 3.998     .  0 0 "[    .    1    .    2    .    3]" 1 
        399 1 20 LEU HB2 1 24 LEU H   4.000 . 5.000 5.051 4.986 5.106 0.106 18 0 "[    .    1    .    2    .    3]" 1 
        400 1 23 GLU HA  1 24 LEU H   3.000 . 3.300 3.515 3.504 3.522 0.222  3 0 "[    .    1    .    2    .    3]" 1 
        401 1 24 LEU H   1 25 ALA H   2.400 . 2.700 2.520 2.413 2.670     .  0 0 "[    .    1    .    2    .    3]" 1 
        402 1 24 LEU H   1 26 LEU H   4.000 . 5.000 4.537 4.370 4.741     .  0 0 "[    .    1    .    2    .    3]" 1 
        403 1 24 LEU H   1 26 LEU MD1 4.000 . 5.500 4.565 4.291 4.616     .  0 0 "[    .    1    .    2    .    3]" 1 
        404 1 25 ALA HA  1 25 ALA MB  2.400 . 3.200 2.111 2.108 2.114     .  0 0 "[    .    1    .    2    .    3]" 1 
        405 1 25 ALA HA  1 26 LEU H   2.400 . 2.700 2.698 2.639 2.730 0.030 16 0 "[    .    1    .    2    .    3]" 1 
        406 1 25 ALA H   1 25 ALA HA  2.400 . 2.700 2.354 2.345 2.361     .  0 0 "[    .    1    .    2    .    3]" 1 
        407 1 24 LEU H   1 25 ALA HA  4.000 . 5.000 4.860 4.753 5.008 0.008 10 0 "[    .    1    .    2    .    3]" 1 
        408 1 25 ALA MB  1 26 LEU H   4.000 . 5.500 3.716 3.699 3.726     .  0 0 "[    .    1    .    2    .    3]" 1 
        409 1 24 LEU H   1 25 ALA MB  4.000 . 5.500 4.621 4.581 4.656     .  0 0 "[    .    1    .    2    .    3]" 1 
        410 1 25 ALA H   1 25 ALA MB  3.000 . 3.800 2.953 2.900 2.992     .  0 0 "[    .    1    .    2    .    3]" 1 
        411 1 24 LEU HB2 1 25 ALA H   4.000 . 5.000 2.954 2.851 3.072     .  0 0 "[    .    1    .    2    .    3]" 1 
        412 1 24 LEU HB3 1 25 ALA H   4.000 . 5.000 4.100 4.028 4.178     .  0 0 "[    .    1    .    2    .    3]" 1 
        413 1 25 ALA H   1 26 LEU MD2 4.000 . 5.500 4.090 3.747 4.354     .  0 0 "[    .    1    .    2    .    3]" 1 
        414 1 25 ALA H   1 26 LEU H   2.400 . 2.700 2.673 2.576 2.739 0.039 29 0 "[    .    1    .    2    .    3]" 1 
        415 1 23 GLU QB  1 25 ALA H   4.000 . 5.000 4.270 4.088 4.507     .  0 0 "[    .    1    .    2    .    3]" 1 
        416 1 26 LEU HA  1 26 LEU MD1 4.000 . 5.500 3.875 3.828 3.915     .  0 0 "[    .    1    .    2    .    3]" 1 
        417 1 26 LEU HA  1 44 TRP HE1 3.000 . 3.300 2.620 2.189 3.017     .  0 0 "[    .    1    .    2    .    3]" 1 
        418 1 26 LEU HA  1 26 LEU HB3 3.000 . 3.300 2.391 2.354 2.420     .  0 0 "[    .    1    .    2    .    3]" 1 
        419 1 26 LEU HA  1 27 PRO QD  3.000 . 3.300 2.015 1.915 2.093     .  0 0 "[    .    1    .    2    .    3]" 1 
        420 1 26 LEU HA  1 26 LEU HG  4.000 . 5.000 3.139 3.083 3.257     .  0 0 "[    .    1    .    2    .    3]" 1 
        421 1 26 LEU HA  1 26 LEU MD2 2.400 . 3.200 1.992 1.863 2.099     .  0 0 "[    .    1    .    2    .    3]" 1 
        422 1 26 LEU H   1 26 LEU HA  3.000 . 3.300 2.914 2.887 2.945     .  0 0 "[    .    1    .    2    .    3]" 1 
        423 1 26 LEU HA  1 44 TRP HD1 4.000 . 5.000 4.264 3.894 4.644     .  0 0 "[    .    1    .    2    .    3]" 1 
        424 1 26 LEU HB2 1 26 LEU MD1 3.000 . 3.800 2.249 2.154 2.384     .  0 0 "[    .    1    .    2    .    3]" 1 
        425 1 21 LYS HA  1 26 LEU HB2 3.000 . 3.300 2.632 2.390 2.765     .  0 0 "[    .    1    .    2    .    3]" 1 
        426 1 26 LEU H   1 26 LEU HB2 3.000 . 3.300 2.674 2.608 2.744     .  0 0 "[    .    1    .    2    .    3]" 1 
        427 1 26 LEU HB2 1 30 TYR QB  4.000 . 5.000 2.654 2.439 2.964     .  0 0 "[    .    1    .    2    .    3]" 1 
        428 1 26 LEU H   1 26 LEU HB3 4.000 . 5.000 3.627 3.602 3.655     .  0 0 "[    .    1    .    2    .    3]" 1 
        429 1 26 LEU HB3 1 30 TYR QB  3.000 . 3.300 2.304 1.983 2.968     .  0 0 "[    .    1    .    2    .    3]" 1 
        430 1 21 LYS HA  1 26 LEU HB3 4.000 . 5.000 3.972 3.780 4.119     .  0 0 "[    .    1    .    2    .    3]" 1 
        431 1 26 LEU HB3 1 26 LEU MD1 3.000 . 3.800 2.430 2.304 2.499     .  0 0 "[    .    1    .    2    .    3]" 1 
        432 1 26 LEU H   1 26 LEU MD1 4.000 . 5.500 3.440 3.362 3.532     .  0 0 "[    .    1    .    2    .    3]" 1 
        433 1 26 LEU MD1 1 37 LEU MD1 4.000 . 6.000 2.863 2.552 3.308     .  0 0 "[    .    1    .    2    .    3]" 1 
        434 1 26 LEU MD1 1 30 TYR QD  4.000 . 5.500 2.585 1.889 2.698     .  0 0 "[    .    1    .    2    .    3]" 1 
        435 1 26 LEU MD2 1 44 TRP HE1 4.000 . 5.500 2.734 1.980 3.294     .  0 0 "[    .    1    .    2    .    3]" 1 
        436 1 26 LEU MD2 1 27 PRO QD  3.000 . 3.800 2.706 2.615 2.827     .  0 0 "[    .    1    .    2    .    3]" 1 
        437 1 26 LEU H   1 26 LEU MD2 4.000 . 5.500 3.122 2.979 3.205     .  0 0 "[    .    1    .    2    .    3]" 1 
        438 1 26 LEU MD2 1 45 VAL H   4.000 . 5.500 4.449 3.578 4.603     .  0 0 "[    .    1    .    2    .    3]" 1 
        439 1 26 LEU MD2 1 40 ALA MB  4.000 . 6.000 1.913 1.734 2.107 0.066 16 0 "[    .    1    .    2    .    3]" 1 
        440 1 24 LEU H   1 26 LEU MD2 4.000 . 5.500 4.547 4.400 4.606     .  0 0 "[    .    1    .    2    .    3]" 1 
        441 1 26 LEU MD2 1 44 TRP HD1 3.000 . 3.800 2.668 2.140 3.062     .  0 0 "[    .    1    .    2    .    3]" 1 
        442 1 21 LYS QB  1 26 LEU H   4.000 . 5.000 3.870 3.366 4.112     .  0 0 "[    .    1    .    2    .    3]" 1 
        443 1 27 PRO HA  1 28 GLU QB  4.000 . 5.000 4.379 4.317 4.630     .  0 0 "[    .    1    .    2    .    3]" 1 
        444 1 27 PRO HA  1 27 PRO QD  4.000 . 5.000 3.492 3.470 3.514     .  0 0 "[    .    1    .    2    .    3]" 1 
        445 1 27 PRO QB  1 29 TYR H   4.000 . 5.000 2.843 2.638 3.169     .  0 0 "[    .    1    .    2    .    3]" 1 
        446 1 26 LEU HB3 1 27 PRO QD  3.000 . 3.300 1.730 1.659 1.807 0.141  4 0 "[    .    1    .    2    .    3]" 1 
        447 1 26 LEU HB2 1 27 PRO QD  3.000 . 3.300 2.974 2.904 3.025     .  0 0 "[    .    1    .    2    .    3]" 1 
        448 1 27 PRO QD  1 30 TYR QB  4.000 . 5.000 2.119 1.825 2.807     .  0 0 "[    .    1    .    2    .    3]" 1 
        449 1 21 LYS QD  1 28 GLU HA  4.000 . 5.000 3.899 3.518 4.251     .  0 0 "[    .    1    .    2    .    3]" 1 
        450 1 28 GLU HA  1 29 TYR H   4.000 . 5.000 3.578 3.556 3.600     .  0 0 "[    .    1    .    2    .    3]" 1 
        451 1 21 LYS QE  1 28 GLU HA  2.400 . 2.700 2.351 2.141 2.447     .  0 0 "[    .    1    .    2    .    3]" 1 
        452 1 28 GLU QB  1 29 TYR H   3.000 . 3.300 2.441 2.282 2.797     .  0 0 "[    .    1    .    2    .    3]" 1 
        453 1 28 GLU H   1 28 GLU QB  3.000 . 3.300 2.282 2.247 2.638     .  0 0 "[    .    1    .    2    .    3]" 1 
        454 1 27 PRO QB  1 28 GLU H   3.000 . 3.300 2.065 1.907 2.581     .  0 0 "[    .    1    .    2    .    3]" 1 
        455 1 27 PRO HA  1 28 GLU H   2.400 . 2.700 2.691 2.345 2.751 0.051  5 0 "[    .    1    .    2    .    3]" 1 
        456 1 29 TYR HA  1 29 TYR HB3 3.000 . 3.300 2.447 2.323 2.623     .  0 0 "[    .    1    .    2    .    3]" 1 
        457 1 29 TYR HA  1 29 TYR HB2 3.000 . 3.300 2.483 2.327 2.616     .  0 0 "[    .    1    .    2    .    3]" 1 
        458 1 29 TYR H   1 29 TYR HB2 4.000 . 5.000 3.610 3.579 3.627     .  0 0 "[    .    1    .    2    .    3]" 1 
        459 1 29 TYR HB2 1 30 TYR H   4.000 . 5.000 4.179 3.944 4.415     .  0 0 "[    .    1    .    2    .    3]" 1 
        460 1 29 TYR HB3 1 30 TYR H   4.000 . 5.000 4.301 3.979 4.527     .  0 0 "[    .    1    .    2    .    3]" 1 
        461 1 29 TYR H   1 29 TYR HB3 4.000 . 5.000 2.621 2.299 2.948     .  0 0 "[    .    1    .    2    .    3]" 1 
        462 1 29 TYR QD  1 36 ALA MB  4.000 . 5.500 4.115 4.047 4.154     .  0 0 "[    .    1    .    2    .    3]" 1 
        463 1 29 TYR HB2 1 29 TYR QD  3.000 . 3.300 2.557 2.318 2.634     .  0 0 "[    .    1    .    2    .    3]" 1 
        464 1 29 TYR HB3 1 29 TYR QD  3.000 . 3.300 2.334 2.293 2.567     .  0 0 "[    .    1    .    2    .    3]" 1 
        465 1 27 PRO QB  1 29 TYR QD  4.000 . 5.000 3.234 2.150 3.589     .  0 0 "[    .    1    .    2    .    3]" 1 
        466 1 27 PRO QG  1 29 TYR QD  4.000 . 5.000 2.996 2.485 3.309     .  0 0 "[    .    1    .    2    .    3]" 1 
        467 1 29 TYR QD  1 30 TYR HA  4.000 . 5.000 2.871 2.540 4.146     .  0 0 "[    .    1    .    2    .    3]" 1 
        468 1 28 GLU QB  1 29 TYR QD  4.000 . 5.000 4.000 3.973 4.058     .  0 0 "[    .    1    .    2    .    3]" 1 
        469 1 27 PRO QG  1 29 TYR QE  4.000 . 5.000 2.165 1.732 2.468 0.068 25 0 "[    .    1    .    2    .    3]" 1 
        470 1 29 TYR H   1 29 TYR HA  3.000 . 3.300 2.856 2.817 2.910     .  0 0 "[    .    1    .    2    .    3]" 1 
        471 1 29 TYR H   1 29 TYR QD  3.000 . 3.300 2.601 2.042 2.825     .  0 0 "[    .    1    .    2    .    3]" 1 
        472 1 29 TYR H   1 30 TYR H   3.000 . 3.300 2.709 2.639 2.873     .  0 0 "[    .    1    .    2    .    3]" 1 
        473 1 30 TYR HA  1 30 TYR QD  3.000 . 3.300 2.212 1.866 3.117     .  0 0 "[    .    1    .    2    .    3]" 1 
        474 1 30 TYR H   1 30 TYR HA  3.000 . 3.300 2.717 2.662 2.772     .  0 0 "[    .    1    .    2    .    3]" 1 
        475 1 30 TYR HA  1 31 GLY H   3.000 . 3.300 2.207 2.169 2.335     .  0 0 "[    .    1    .    2    .    3]" 1 
        476 1 21 LYS QD  1 30 TYR QB  4.000 . 5.000 2.251 1.731 2.661 0.069 11 0 "[    .    1    .    2    .    3]" 1 
        477 1 30 TYR H   1 30 TYR QB  2.400 . 2.700 2.302 2.202 2.353     .  0 0 "[    .    1    .    2    .    3]" 1 
        478 1 21 LYS QD  1 30 TYR QD  3.000 . 3.300 2.047 1.768 2.662 0.032 22 0 "[    .    1    .    2    .    3]" 1 
        479 1 21 LYS QB  1 30 TYR QD  4.000 . 5.000 2.439 1.873 3.796     .  0 0 "[    .    1    .    2    .    3]" 1 
        480 1 21 LYS QB  1 30 TYR QE  4.000 . 5.000 2.897 2.059 4.012     .  0 0 "[    .    1    .    2    .    3]" 1 
        481 1 26 LEU MD2 1 30 TYR QE  4.000 . 5.500 4.014 3.585 4.103     .  0 0 "[    .    1    .    2    .    3]" 1 
        482 1 20 LEU MD1 1 30 TYR QE  4.000 . 5.500 3.885 3.514 4.155     .  0 0 "[    .    1    .    2    .    3]" 1 
        483 1 30 TYR QE  1 32 GLU HA  4.000 . 5.000 2.906 1.807 3.444     .  0 0 "[    .    1    .    2    .    3]" 1 
        484 1 26 LEU MD1 1 30 TYR QE  3.000 . 3.800 2.435 1.714 2.683 0.086 11 0 "[    .    1    .    2    .    3]" 1 
        485 1 17 HIS HB3 1 30 TYR QE  3.000 . 3.300 2.409 1.893 2.971     .  0 0 "[    .    1    .    2    .    3]" 1 
        486 1 30 TYR QE  1 37 LEU MD1 4.000 . 5.500 3.179 2.469 3.550     .  0 0 "[    .    1    .    2    .    3]" 1 
        487 1 30 TYR QE  1 37 LEU QB  4.000 . 5.000 2.702 2.337 3.430     .  0 0 "[    .    1    .    2    .    3]" 1 
        488 1 21 LYS QD  1 30 TYR QE  4.000 . 5.000 3.816 3.482 3.990     .  0 0 "[    .    1    .    2    .    3]" 1 
        489 1 30 TYR QE  1 32 GLU QB  4.000 . 5.000 3.853 3.366 4.006     .  0 0 "[    .    1    .    2    .    3]" 1 
        490 1 30 TYR QB  1 30 TYR QE  4.000 . 5.000 3.984 3.965 3.996     .  0 0 "[    .    1    .    2    .    3]" 1 
        491 1 30 TYR QE  1 36 ALA MB  4.000 . 5.500 2.549 1.913 3.689     .  0 0 "[    .    1    .    2    .    3]" 1 
        492 1 30 TYR QE  1 37 LEU HG  4.000 . 5.000 4.248 3.584 4.515     .  0 0 "[    .    1    .    2    .    3]" 1 
        493 1 17 HIS HB2 1 30 TYR QE  4.000 . 5.000 3.986 3.391 4.461     .  0 0 "[    .    1    .    2    .    3]" 1 
        494 1 30 TYR QE  1 37 LEU HA  3.000 . 3.300 2.286 1.857 2.688     .  0 0 "[    .    1    .    2    .    3]" 1 
        495 1 17 HIS HA  1 30 TYR QE  4.000 . 5.000 3.060 2.232 4.005     .  0 0 "[    .    1    .    2    .    3]" 1 
        496 1 27 PRO QG  1 30 TYR H   4.000 . 5.000 2.886 2.662 3.213     .  0 0 "[    .    1    .    2    .    3]" 1 
        497 1 28 GLU QG  1 30 TYR H   4.000 . 5.000 4.440 3.740 4.477     .  0 0 "[    .    1    .    2    .    3]" 1 
        498 1 21 LYS QD  1 30 TYR H   4.000 . 5.000 4.103 3.445 4.393     .  0 0 "[    .    1    .    2    .    3]" 1 
        499 1 29 TYR HA  1 30 TYR H   3.000 . 3.300 3.355 3.257 3.409 0.109  8 0 "[    .    1    .    2    .    3]" 1 
        500 1 28 GLU QB  1 30 TYR H   4.000 . 5.000 4.346 4.273 4.446     .  0 0 "[    .    1    .    2    .    3]" 1 
        501 1 27 PRO QB  1 30 TYR H   4.000 . 5.000 3.404 3.178 3.708     .  0 0 "[    .    1    .    2    .    3]" 1 
        502 1 29 TYR QD  1 30 TYR H   3.000 . 3.300 3.023 2.983 3.069     .  0 0 "[    .    1    .    2    .    3]" 1 
        503 1 26 LEU HB2 1 30 TYR H   4.000 . 5.000 5.067 5.000 5.146 0.146  8 0 "[    .    1    .    2    .    3]" 1 
        504 1 30 TYR H   1 31 GLY H   4.000 . 5.000 4.520 4.347 4.697     .  0 0 "[    .    1    .    2    .    3]" 1 
        505 1 31 GLY H   1 31 GLY QA  2.400 . 2.700 2.291 2.234 2.448     .  0 0 "[    .    1    .    2    .    3]" 1 
        506 1 30 TYR HA  1 31 GLY QA  4.000 . 5.000 3.969 3.940 3.999     .  0 0 "[    .    1    .    2    .    3]" 1 
        507 1 31 GLY QA  1 36 ALA MB  3.000 . 3.800 2.147 1.761 2.837 0.039 29 0 "[    .    1    .    2    .    3]" 1 
        508 1 31 GLY QA  1 33 ASN QD  4.000 . 5.000 2.556 1.811 3.844     .  0 0 "[    .    1    .    2    .    3]" 1 
        509 1 31 GLY QA  1 32 GLU QB  4.000 . 5.000 3.951 3.739 4.053     .  0 0 "[    .    1    .    2    .    3]" 1 
        510 1 30 TYR QB  1 31 GLY H   4.000 . 5.000 3.778 3.453 3.943     .  0 0 "[    .    1    .    2    .    3]" 1 
        511 1 31 GLY H   1 36 ALA MB  2.400 . 3.200 1.790 1.720 1.968 0.080  8 0 "[    .    1    .    2    .    3]" 1 
        512 1 30 TYR QD  1 31 GLY H   2.400 . 2.700 2.405 1.883 2.536     .  0 0 "[    .    1    .    2    .    3]" 1 
        513 1 32 GLU HA  1 33 ASN H   4.000 . 5.000 2.820 2.323 3.446     .  0 0 "[    .    1    .    2    .    3]" 1 
        514 1 33 ASN HA  1 37 LEU QB  4.000 . 5.000 4.453 4.184 4.642     .  0 0 "[    .    1    .    2    .    3]" 1 
        515 1 33 ASN HA  1 33 ASN HB3 2.400 . 2.700 2.305 2.242 2.516     .  0 0 "[    .    1    .    2    .    3]" 1 
        516 1 33 ASN HA  1 33 ASN HB2 2.400 . 2.700 2.732 2.624 2.989 0.289 20 0 "[    .    1    .    2    .    3]" 1 
        517 1 33 ASN HA  1 33 ASN QB  2.400 . 2.700 2.187 2.158 2.392     .  0 0 "[    .    1    .    2    .    3]" 1 
        518 1 33 ASN H   1 36 ALA MB  3.000 . 3.800 3.036 2.600 3.248     .  0 0 "[    .    1    .    2    .    3]" 1 
        519 1 33 ASN H   1 33 ASN HB2 4.000 . 5.000 3.601 2.691 3.991     .  0 0 "[    .    1    .    2    .    3]" 1 
        520 1 34 LEU QB  1 35 ASP H   4.000 . 5.000 3.504 2.838 3.787     .  0 0 "[    .    1    .    2    .    3]" 1 
        521 1 34 LEU QB  1 34 LEU MD1 3.000 . 3.800 2.050 1.891 2.485     .  0 0 "[    .    1    .    2    .    3]" 1 
        522 1 34 LEU HA  1 34 LEU MD1 4.000 . 5.500 3.814 1.801 4.102     .  0 0 "[    .    1    .    2    .    3]" 1 
        523 1 34 LEU MD1 1 69 SER QB  4.000 . 5.500 3.526 1.807 4.091     .  0 0 "[    .    1    .    2    .    3]" 1 
        524 1 34 LEU MD2 1 72 GLN QE  4.000 . 5.500 3.725 1.805 4.084     .  0 0 "[    .    1    .    2    .    3]" 1 
        525 1 34 LEU MD2 1 69 SER QB  4.000 . 5.500 1.814 1.688 2.724 0.112 27 0 "[    .    1    .    2    .    3]" 1 
        526 1 34 LEU MD2 1 70 VAL HA  4.000 . 5.500 4.339 2.928 4.633     .  0 0 "[    .    1    .    2    .    3]" 1 
        527 1 34 LEU H   1 34 LEU MD2 4.000 . 5.500 2.216 1.766 3.556 0.034 29 0 "[    .    1    .    2    .    3]" 1 
        528 1 33 ASN HB3 1 34 LEU H   3.000 . 3.300 3.078 2.037 3.358 0.058 14 0 "[    .    1    .    2    .    3]" 1 
        529 1 33 ASN HB2 1 34 LEU H   3.000 . 3.300 2.097 1.814 3.310 0.010 20 0 "[    .    1    .    2    .    3]" 1 
        530 1 33 ASN HA  1 34 LEU H   3.000 . 3.300 2.694 2.431 2.899     .  0 0 "[    .    1    .    2    .    3]" 1 
        531 1 34 LEU H   1 35 ASP H   4.000 . 5.000 2.514 2.373 2.751     .  0 0 "[    .    1    .    2    .    3]" 1 
        532 1 35 ASP HA  1 38 TRP QB  4.000 . 5.000 2.980 2.826 3.342     .  0 0 "[    .    1    .    2    .    3]" 1 
        533 1 35 ASP HA  1 38 TRP H   4.000 . 5.000 4.003 3.804 4.422     .  0 0 "[    .    1    .    2    .    3]" 1 
        534 1 35 ASP H   1 35 ASP HA  3.000 . 3.300 2.920 2.879 2.931     .  0 0 "[    .    1    .    2    .    3]" 1 
        535 1 35 ASP HA  1 35 ASP HB3 3.000 . 3.300 2.273 2.238 2.361     .  0 0 "[    .    1    .    2    .    3]" 1 
        536 1 35 ASP HA  1 35 ASP HB2 3.000 . 3.300 2.711 2.551 2.791     .  0 0 "[    .    1    .    2    .    3]" 1 
        537 1 35 ASP H   1 35 ASP HB2 3.000 . 3.300 3.453 3.382 3.552 0.252 28 0 "[    .    1    .    2    .    3]" 1 
        538 1 35 ASP HB2 1 39 ASP H   4.000 . 5.000 5.152 5.103 5.204 0.204 30 0 "[    .    1    .    2    .    3]" 1 
        539 1 35 ASP HB3 1 36 ALA H   4.000 . 5.000 3.919 3.772 4.002     .  0 0 "[    .    1    .    2    .    3]" 1 
        540 1 35 ASP H   1 35 ASP HB3 3.000 . 3.300 3.245 2.887 3.389 0.089 11 0 "[    .    1    .    2    .    3]" 1 
        541 1 35 ASP H   1 36 ALA H   2.400 . 2.700 2.633 2.542 2.740 0.040 10 0 "[    .    1    .    2    .    3]" 1 
        542 1 33 ASN QB  1 35 ASP H   4.000 . 5.000 2.368 2.048 2.610     .  0 0 "[    .    1    .    2    .    3]" 1 
        543 1 34 LEU HA  1 35 ASP H   4.000 . 5.000 3.409 3.330 3.502     .  0 0 "[    .    1    .    2    .    3]" 1 
        544 1 34 LEU MD2 1 35 ASP H   4.000 . 5.500 4.009 3.644 4.739     .  0 0 "[    .    1    .    2    .    3]" 1 
        545 1 35 ASP H   1 36 ALA MB  4.000 . 5.500 4.343 4.225 4.436     .  0 0 "[    .    1    .    2    .    3]" 1 
        546 1 36 ALA MB  1 39 ASP HB3 4.000 . 5.500 4.472 4.310 4.603     .  0 0 "[    .    1    .    2    .    3]" 1 
        547 1 36 ALA MB  1 37 LEU QB  4.000 . 5.500 3.868 3.761 4.075     .  0 0 "[    .    1    .    2    .    3]" 1 
        548 1 35 ASP HB2 1 36 ALA MB  4.000 . 5.500 3.916 3.726 4.317     .  0 0 "[    .    1    .    2    .    3]" 1 
        549 1 30 TYR QD  1 36 ALA MB  3.000 . 3.800 2.327 1.834 2.897     .  0 0 "[    .    1    .    2    .    3]" 1 
        550 1 36 ALA MB  1 37 LEU H   3.000 . 3.800 2.617 2.367 2.872     .  0 0 "[    .    1    .    2    .    3]" 1 
        551 1 36 ALA H   1 36 ALA MB  3.000 . 3.800 2.203 2.077 2.280     .  0 0 "[    .    1    .    2    .    3]" 1 
        552 1 36 ALA MB  1 39 ASP H   4.000 . 5.500 4.544 4.481 4.600     .  0 0 "[    .    1    .    2    .    3]" 1 
        553 1 36 ALA H   1 36 ALA HA  3.000 . 3.300 2.893 2.855 2.908     .  0 0 "[    .    1    .    2    .    3]" 1 
        554 1 33 ASN QD  1 36 ALA H   4.000 . 5.000 2.933 1.755 4.470 0.045 15 0 "[    .    1    .    2    .    3]" 1 
        555 1 35 ASP HB2 1 36 ALA H   3.000 . 3.300 2.821 2.522 3.287     .  0 0 "[    .    1    .    2    .    3]" 1 
        556 1 35 ASP HA  1 36 ALA H   4.000 . 5.000 3.588 3.570 3.597     .  0 0 "[    .    1    .    2    .    3]" 1 
        557 1 36 ALA H   1 37 LEU QB  4.000 . 5.000 4.289 4.161 4.463     .  0 0 "[    .    1    .    2    .    3]" 1 
        558 1 37 LEU HA  1 37 LEU HG  3.000 . 3.300 2.431 2.351 2.529     .  0 0 "[    .    1    .    2    .    3]" 1 
        559 1 37 LEU HA  1 37 LEU MD1 3.000 . 3.800 2.864 2.745 3.028     .  0 0 "[    .    1    .    2    .    3]" 1 
        560 1 37 LEU QB  1 37 LEU MD1 3.000 . 3.800 2.011 1.885 2.086     .  0 0 "[    .    1    .    2    .    3]" 1 
        561 1 37 LEU MD1 1 40 ALA MB  4.000 . 6.000 3.889 3.755 3.994     .  0 0 "[    .    1    .    2    .    3]" 1 
        562 1 37 LEU MD1 1 74 PHE QE  3.000 . 3.800 2.193 1.848 2.478     .  0 0 "[    .    1    .    2    .    3]" 1 
        563 1 37 LEU H   1 37 LEU MD1 4.000 . 5.500 4.213 4.104 4.306     .  0 0 "[    .    1    .    2    .    3]" 1 
        564 1 37 LEU H   1 37 LEU QB  2.400 . 2.700 2.279 2.247 2.292     .  0 0 "[    .    1    .    2    .    3]" 1 
        565 1 37 LEU H   1 38 TRP QB  4.000 . 5.000 4.355 4.262 4.508     .  0 0 "[    .    1    .    2    .    3]" 1 
        566 1 36 ALA HA  1 37 LEU H   3.000 . 3.300 3.491 3.457 3.533 0.233 21 0 "[    .    1    .    2    .    3]" 1 
        567 1 38 TRP HA  1 41 LEU MD1 3.000 . 3.800 3.101 2.891 3.176     .  0 0 "[    .    1    .    2    .    3]" 1 
        568 1 38 TRP HA  1 38 TRP HE3 3.000 . 3.300 2.485 2.300 2.933     .  0 0 "[    .    1    .    2    .    3]" 1 
        569 1 38 TRP HA  1 41 LEU H   4.000 . 5.000 3.817 3.406 3.993     .  0 0 "[    .    1    .    2    .    3]" 1 
        570 1 37 LEU MD2 1 38 TRP HA  3.000 . 3.800 3.249 3.199 3.318     .  0 0 "[    .    1    .    2    .    3]" 1 
        571 1 38 TRP HA  1 73 VAL MG1 3.000 . 3.800 1.733 1.673 1.802 0.127 24 0 "[    .    1    .    2    .    3]" 1 
        572 1 38 TRP H   1 38 TRP HA  3.000 . 3.300 2.842 2.824 2.863     .  0 0 "[    .    1    .    2    .    3]" 1 
        573 1 38 TRP HA  1 40 ALA H   4.000 . 5.000 3.971 3.831 4.051     .  0 0 "[    .    1    .    2    .    3]" 1 
        574 1 38 TRP HA  1 77 ALA MB  4.000 . 5.500 4.569 4.407 4.633     .  0 0 "[    .    1    .    2    .    3]" 1 
        575 1 38 TRP HA  1 73 VAL MG2 4.000 . 5.500 3.454 3.189 3.679     .  0 0 "[    .    1    .    2    .    3]" 1 
        576 1 38 TRP HA  1 41 LEU QB  4.000 . 5.000 2.642 2.286 2.831     .  0 0 "[    .    1    .    2    .    3]" 1 
        577 1 38 TRP H   1 38 TRP QB  2.400 . 2.700 2.214 2.169 2.235     .  0 0 "[    .    1    .    2    .    3]" 1 
        578 1 38 TRP HA  1 38 TRP HD1 4.000 . 5.000 4.583 4.457 4.635     .  0 0 "[    .    1    .    2    .    3]" 1 
        579 1 38 TRP HD1 1 42 THR MG  4.000 . 5.500 3.899 3.378 4.352     .  0 0 "[    .    1    .    2    .    3]" 1 
        580 1 38 TRP HD1 1 73 VAL MG2 4.000 . 5.500 4.729 4.678 4.802     .  0 0 "[    .    1    .    2    .    3]" 1 
        581 1 38 TRP HD1 1 73 VAL MG1 4.000 . 5.500 4.510 4.360 4.649     .  0 0 "[    .    1    .    2    .    3]" 1 
        582 1 38 TRP HE3 1 77 ALA MB  4.000 . 5.500 3.258 3.062 3.388     .  0 0 "[    .    1    .    2    .    3]" 1 
        583 1 38 TRP HE3 1 41 LEU MD1 4.000 . 5.500 3.692 3.568 3.801     .  0 0 "[    .    1    .    2    .    3]" 1 
        584 1 38 TRP HE3 1 73 VAL MG1 3.000 . 3.800 1.663 1.616 1.780 0.184 14 0 "[    .    1    .    2    .    3]" 1 
        585 1 37 LEU MD2 1 38 TRP HE3 4.000 . 5.500 4.142 4.007 4.424     .  0 0 "[    .    1    .    2    .    3]" 1 
        586 1 38 TRP HE3 1 73 VAL HA  4.000 . 5.000 3.104 2.748 3.356     .  0 0 "[    .    1    .    2    .    3]" 1 
        587 1 38 TRP HH2 1 77 ALA MB  4.000 . 5.500 4.134 3.940 4.291     .  0 0 "[    .    1    .    2    .    3]" 1 
        588 1 38 TRP HH2 1 77 ALA HA  3.000 . 3.300 2.932 2.736 3.103     .  0 0 "[    .    1    .    2    .    3]" 1 
        589 1 38 TRP HH2 1 80 GLU QG  3.000 . 3.300 2.061 1.861 2.895     .  0 0 "[    .    1    .    2    .    3]" 1 
        590 1 38 TRP HH2 1 76 GLU QB  4.000 . 5.000 3.179 2.926 3.421     .  0 0 "[    .    1    .    2    .    3]" 1 
        591 1 37 LEU H   1 38 TRP H   3.000 . 3.300 2.737 2.634 2.917     .  0 0 "[    .    1    .    2    .    3]" 1 
        592 1 37 LEU QB  1 38 TRP H   2.400 . 2.700 2.219 2.126 2.306     .  0 0 "[    .    1    .    2    .    3]" 1 
        593 1 37 LEU MD2 1 38 TRP H   3.000 . 3.800 3.034 2.752 3.223     .  0 0 "[    .    1    .    2    .    3]" 1 
        594 1 37 LEU MD1 1 38 TRP H   4.000 . 5.500 4.588 4.488 4.617     .  0 0 "[    .    1    .    2    .    3]" 1 
        595 1 38 TRP H   1 73 VAL MG1 4.000 . 5.500 2.570 2.367 2.939     .  0 0 "[    .    1    .    2    .    3]" 1 
        596 1 38 TRP H   1 41 LEU MD1 4.000 . 5.500 4.249 4.053 4.454     .  0 0 "[    .    1    .    2    .    3]" 1 
        597 1 38 TRP HZ2 1 76 GLU QB  4.000 . 5.000 4.360 4.091 4.520     .  0 0 "[    .    1    .    2    .    3]" 1 
        598 1 38 TRP HZ2 1 80 GLU HG3 4.000 . 5.000 3.754 3.399 4.641     .  0 0 "[    .    1    .    2    .    3]" 1 
        599 1 38 TRP HZ2 1 42 THR MG  4.000 . 5.500 3.166 2.910 3.449     .  0 0 "[    .    1    .    2    .    3]" 1 
        600 1 38 TRP HZ3 1 42 THR MG  4.000 . 5.500 3.210 2.621 3.892     .  0 0 "[    .    1    .    2    .    3]" 1 
        601 1 38 TRP HZ3 1 76 GLU QG  4.000 . 5.000 4.526 4.473 4.570     .  0 0 "[    .    1    .    2    .    3]" 1 
        602 1 38 TRP HZ3 1 80 GLU QG  4.000 . 5.000 3.544 3.232 4.319     .  0 0 "[    .    1    .    2    .    3]" 1 
        603 1 38 TRP HZ3 1 76 GLU QB  4.000 . 5.000 2.501 2.435 2.553     .  0 0 "[    .    1    .    2    .    3]" 1 
        604 1 38 TRP HZ3 1 77 ALA MB  3.000 . 3.800 2.438 2.192 2.603     .  0 0 "[    .    1    .    2    .    3]" 1 
        605 1 38 TRP HZ3 1 77 ALA HA  3.000 . 3.300 2.157 1.925 2.320     .  0 0 "[    .    1    .    2    .    3]" 1 
        606 1 38 TRP HZ3 1 73 VAL MG1 4.000 . 5.500 3.528 3.371 3.908     .  0 0 "[    .    1    .    2    .    3]" 1 
        607 1 39 ASP HA  1 39 ASP HB3 3.000 . 3.300 2.758 2.674 2.776     .  0 0 "[    .    1    .    2    .    3]" 1 
        608 1 39 ASP HA  1 39 ASP HB2 3.000 . 3.300 2.936 2.924 2.983     .  0 0 "[    .    1    .    2    .    3]" 1 
        609 1 39 ASP H   1 39 ASP HA  3.000 . 3.300 2.852 2.793 2.876     .  0 0 "[    .    1    .    2    .    3]" 1 
        610 1 39 ASP H   1 39 ASP HB2 3.000 . 3.300 2.139 2.111 2.219     .  0 0 "[    .    1    .    2    .    3]" 1 
        611 1 38 TRP H   1 39 ASP HB2 4.000 . 5.000 4.431 4.340 4.503     .  0 0 "[    .    1    .    2    .    3]" 1 
        612 1 36 ALA HA  1 39 ASP HB2 3.000 . 3.300 2.073 1.942 2.183     .  0 0 "[    .    1    .    2    .    3]" 1 
        613 1 39 ASP H   1 39 ASP HB3 4.000 . 5.000 3.450 3.414 3.535     .  0 0 "[    .    1    .    2    .    3]" 1 
        614 1 36 ALA HA  1 39 ASP HB3 3.000 . 3.300 3.241 3.079 3.322 0.022 18 0 "[    .    1    .    2    .    3]" 1 
        615 1 38 TRP HA  1 39 ASP H   3.000 . 3.300 3.493 3.475 3.512 0.212 21 0 "[    .    1    .    2    .    3]" 1 
        616 1 38 TRP QB  1 39 ASP H   2.400 . 2.700 2.469 2.427 2.515     .  0 0 "[    .    1    .    2    .    3]" 1 
        617 1 37 LEU QB  1 39 ASP H   4.000 . 5.000 4.372 4.247 4.456     .  0 0 "[    .    1    .    2    .    3]" 1 
        618 1 40 ALA HA  1 44 TRP QB  3.000 . 3.300 1.839 1.735 2.045 0.065 20 0 "[    .    1    .    2    .    3]" 1 
        619 1 27 PRO QD  1 40 ALA MB  4.000 . 5.500 3.791 3.471 4.075     .  0 0 "[    .    1    .    2    .    3]" 1 
        620 1 40 ALA MB  1 44 TRP HA  4.000 . 5.500 4.639 4.613 4.673     .  0 0 "[    .    1    .    2    .    3]" 1 
        621 1 40 ALA MB  1 44 TRP HD1 4.000 . 5.500 3.199 2.838 3.434     .  0 0 "[    .    1    .    2    .    3]" 1 
        622 1 26 LEU MD1 1 40 ALA MB  3.000 . 4.300 2.951 2.613 3.006     .  0 0 "[    .    1    .    2    .    3]" 1 
        623 1 40 ALA MB  1 45 VAL MG2 3.000 . 4.300 2.922 2.430 3.023     .  0 0 "[    .    1    .    2    .    3]" 1 
        624 1 40 ALA MB  1 44 TRP QB  3.000 . 3.800 2.038 1.949 2.188     .  0 0 "[    .    1    .    2    .    3]" 1 
        625 1 40 ALA MB  1 41 LEU H   3.000 . 3.800 1.896 1.849 2.119     .  0 0 "[    .    1    .    2    .    3]" 1 
        626 1 40 ALA H   1 40 ALA MB  2.400 . 3.200 2.285 2.149 2.325     .  0 0 "[    .    1    .    2    .    3]" 1 
        627 1 37 LEU QB  1 40 ALA H   4.000 . 5.000 4.613 4.574 4.705     .  0 0 "[    .    1    .    2    .    3]" 1 
        628 1 40 ALA H   1 42 THR MG  4.000 . 5.500 4.506 4.125 4.665     .  0 0 "[    .    1    .    2    .    3]" 1 
        629 1 39 ASP HB3 1 40 ALA H   3.000 . 3.300 3.330 3.294 3.367 0.067 11 0 "[    .    1    .    2    .    3]" 1 
        630 1 40 ALA H   1 40 ALA HA  3.000 . 3.300 2.939 2.936 2.945     .  0 0 "[    .    1    .    2    .    3]" 1 
        631 1 39 ASP HA  1 40 ALA H   3.000 . 3.300 3.484 3.470 3.499 0.199 23 0 "[    .    1    .    2    .    3]" 1 
        632 1 40 ALA H   1 41 LEU H   2.400 . 2.700 2.819 2.784 2.839 0.139  5 0 "[    .    1    .    2    .    3]" 1 
        633 1 40 ALA H   1 41 LEU QB  4.000 . 5.000 4.286 4.162 4.395     .  0 0 "[    .    1    .    2    .    3]" 1 
        634 1 38 TRP QB  1 40 ALA H   4.000 . 5.000 4.490 4.463 4.541     .  0 0 "[    .    1    .    2    .    3]" 1 
        635 1 41 LEU HA  1 45 VAL HB  3.000 . 3.300 1.789 1.754 1.832 0.046 17 0 "[    .    1    .    2    .    3]" 1 
        636 1 41 LEU HA  1 41 LEU MD2 2.400 . 3.200 2.358 2.087 2.535     .  0 0 "[    .    1    .    2    .    3]" 1 
        637 1 41 LEU HA  1 41 LEU MD1 4.000 . 5.500 3.739 3.655 3.812     .  0 0 "[    .    1    .    2    .    3]" 1 
        638 1 41 LEU HA  1 42 THR H   3.000 . 3.300 3.520 3.479 3.543 0.243 23 0 "[    .    1    .    2    .    3]" 1 
        639 1 41 LEU QB  1 41 LEU MD1 3.000 . 3.800 2.074 2.006 2.123     .  0 0 "[    .    1    .    2    .    3]" 1 
        640 1 41 LEU H   1 41 LEU QB  3.000 . 3.300 2.393 2.295 2.503     .  0 0 "[    .    1    .    2    .    3]" 1 
        641 1 37 LEU HG  1 41 LEU MD1 3.000 . 3.800 2.112 1.846 2.365     .  0 0 "[    .    1    .    2    .    3]" 1 
        642 1 41 LEU MD1 1 73 VAL MG2 4.000 . 6.000 4.056 3.820 4.164     .  0 0 "[    .    1    .    2    .    3]" 1 
        643 1 41 LEU MD1 1 74 PHE HA  3.000 . 3.800 1.953 1.807 2.198     .  0 0 "[    .    1    .    2    .    3]" 1 
        644 1 41 LEU MD1 1 73 VAL MG1 4.000 . 6.000 2.061 1.664 2.225 0.136 21 0 "[    .    1    .    2    .    3]" 1 
        645 1 41 LEU MD1 1 74 PHE HZ  3.000 . 3.800 3.220 3.170 3.261     .  0 0 "[    .    1    .    2    .    3]" 1 
        646 1 41 LEU MD1 1 74 PHE H   3.000 . 3.800 3.213 3.024 3.264     .  0 0 "[    .    1    .    2    .    3]" 1 
        647 1 41 LEU H   1 41 LEU MD1 3.000 . 3.800 3.159 2.947 3.221     .  0 0 "[    .    1    .    2    .    3]" 1 
        648 1 41 LEU QB  1 41 LEU MD2 3.000 . 3.800 2.145 2.059 2.215     .  0 0 "[    .    1    .    2    .    3]" 1 
        649 1 41 LEU MD2 1 74 PHE HZ  3.000 . 3.800 3.233 3.184 3.287     .  0 0 "[    .    1    .    2    .    3]" 1 
        650 1 41 LEU H   1 41 LEU MD2 4.000 . 5.500 3.927 3.598 4.128     .  0 0 "[    .    1    .    2    .    3]" 1 
        651 1 41 LEU MD2 1 74 PHE QD  3.000 . 3.800 2.430 1.987 2.868     .  0 0 "[    .    1    .    2    .    3]" 1 
        652 1 41 LEU MD2 1 42 THR H   4.000 . 5.500 4.514 4.309 4.683     .  0 0 "[    .    1    .    2    .    3]" 1 
        653 1 41 LEU H   1 42 THR H   3.000 . 3.300 3.098 2.921 3.314 0.014 23 0 "[    .    1    .    2    .    3]" 1 
        654 1 37 LEU MD1 1 41 LEU H   4.000 . 5.500 4.532 4.402 4.603     .  0 0 "[    .    1    .    2    .    3]" 1 
        655 1 37 LEU HG  1 41 LEU H   3.000 . 3.300 3.330 3.245 3.405 0.105 21 0 "[    .    1    .    2    .    3]" 1 
        656 1 41 LEU H   1 42 THR MG  4.000 . 5.500 4.291 4.162 4.581     .  0 0 "[    .    1    .    2    .    3]" 1 
        657 1 42 THR HA  1 42 THR MG  3.000 . 3.800 2.783 2.476 3.186     .  0 0 "[    .    1    .    2    .    3]" 1 
        658 1 42 THR HA  1 42 THR HB  3.000 . 3.300 2.388 2.314 2.508     .  0 0 "[    .    1    .    2    .    3]" 1 
        659 1 42 THR MG  1 77 ALA MB  4.000 . 6.000 3.325 2.535 4.168     .  0 0 "[    .    1    .    2    .    3]" 1 
        660 1 38 TRP HE1 1 42 THR MG  4.000 . 5.500 3.413 2.629 3.861     .  0 0 "[    .    1    .    2    .    3]" 1 
        661 1 38 TRP HH2 1 42 THR MG  4.000 . 5.500 3.351 2.863 3.973     .  0 0 "[    .    1    .    2    .    3]" 1 
        662 1 42 THR H   1 42 THR MG  3.000 . 3.800 1.969 1.817 2.249     .  0 0 "[    .    1    .    2    .    3]" 1 
        663 1 42 THR HB  1 42 THR MG  2.400 . 3.200 2.125 2.104 2.146     .  0 0 "[    .    1    .    2    .    3]" 1 
        664 1 38 TRP HE3 1 42 THR MG  3.000 . 3.800 2.839 2.493 3.201     .  0 0 "[    .    1    .    2    .    3]" 1 
        665 1 38 TRP HA  1 42 THR H   3.000 . 3.300 3.397 3.335 3.481 0.181 29 0 "[    .    1    .    2    .    3]" 1 
        666 1 41 LEU QB  1 42 THR H   4.000 . 5.000 2.350 2.201 2.579     .  0 0 "[    .    1    .    2    .    3]" 1 
        667 1 42 THR H   1 44 TRP H   4.000 . 5.000 4.895 4.694 5.001 0.001  7 0 "[    .    1    .    2    .    3]" 1 
        668 1 43 GLY QA  1 44 TRP H   4.000 . 5.000 2.782 2.613 2.848     .  0 0 "[    .    1    .    2    .    3]" 1 
        669 1 43 GLY QA  1 44 TRP QB  4.000 . 5.000 3.860 3.800 3.934     .  0 0 "[    .    1    .    2    .    3]" 1 
        670 1 44 TRP H   1 44 TRP QB  3.000 . 3.300 2.927 2.868 2.958     .  0 0 "[    .    1    .    2    .    3]" 1 
        671 1 26 LEU MD2 1 44 TRP QB  4.000 . 5.500 3.282 3.164 3.435     .  0 0 "[    .    1    .    2    .    3]" 1 
        672 1 44 TRP QB  1 45 VAL MG2 4.000 . 5.500 3.434 3.323 3.681     .  0 0 "[    .    1    .    2    .    3]" 1 
        673 1 44 TRP QB  1 45 VAL H   3.000 . 3.300 2.398 1.962 2.634     .  0 0 "[    .    1    .    2    .    3]" 1 
        674 1 44 TRP HD1 1 45 VAL MG2 3.000 . 3.800 2.711 2.180 3.146     .  0 0 "[    .    1    .    2    .    3]" 1 
        675 1 44 TRP HD1 1 45 VAL MG1 4.000 . 5.500 4.547 4.361 4.612     .  0 0 "[    .    1    .    2    .    3]" 1 
        676 1 44 TRP HD1 1 45 VAL HA  3.000 . 3.300 2.488 2.130 2.661     .  0 0 "[    .    1    .    2    .    3]" 1 
        677 1 24 LEU MD2 1 44 TRP HD1 4.000 . 5.500 4.503 4.143 4.615     .  0 0 "[    .    1    .    2    .    3]" 1 
        678 1 40 ALA HA  1 44 TRP HD1 4.000 . 5.000 4.663 4.502 4.840     .  0 0 "[    .    1    .    2    .    3]" 1 
        679 1 26 LEU MD2 1 44 TRP HE3 4.000 . 5.500 4.604 4.585 4.640     .  0 0 "[    .    1    .    2    .    3]" 1 
        680 1 40 ALA MB  1 44 TRP HE3 4.000 . 5.500 4.235 4.013 4.598     .  0 0 "[    .    1    .    2    .    3]" 1 
        681 1 27 PRO QG  1 44 TRP HE3 4.000 . 5.000 3.827 3.389 4.473     .  0 0 "[    .    1    .    2    .    3]" 1 
        682 1 44 TRP H   1 45 VAL MG2 4.000 . 5.500 4.443 4.131 4.611     .  0 0 "[    .    1    .    2    .    3]" 1 
        683 1 43 GLY H   1 44 TRP H   3.000 . 3.300 2.011 1.823 3.062     .  0 0 "[    .    1    .    2    .    3]" 1 
        684 1 44 TRP H   1 45 VAL H   2.400 . 2.700 2.071 1.845 2.607     .  0 0 "[    .    1    .    2    .    3]" 1 
        685 1 27 PRO QB  1 44 TRP HZ3 4.000 . 5.000 3.440 2.771 4.259     .  0 0 "[    .    1    .    2    .    3]" 1 
        686 1 45 VAL HA  1 46 GLU H   3.000 . 3.300 2.726 2.406 3.486 0.186 17 0 "[    .    1    .    2    .    3]" 1 
        687 1 45 VAL HA  1 45 VAL MG1 3.000 . 3.800 2.641 2.532 2.712     .  0 0 "[    .    1    .    2    .    3]" 1 
        688 1 45 VAL HB  1 46 GLU H   4.000 . 5.000 3.653 2.847 3.985     .  0 0 "[    .    1    .    2    .    3]" 1 
        689 1 45 VAL HB  1 45 VAL MG1 2.400 . 3.200 2.131 2.101 2.140     .  0 0 "[    .    1    .    2    .    3]" 1 
        690 1 45 VAL H   1 45 VAL HB  3.000 . 3.300 2.160 2.099 2.286     .  0 0 "[    .    1    .    2    .    3]" 1 
        691 1 45 VAL MG1 1 46 GLU QB  4.000 . 5.500 3.630 3.543 3.755     .  0 0 "[    .    1    .    2    .    3]" 1 
        692 1 45 VAL MG1 1 45 VAL MG2 2.400 . 3.700 2.050 1.923 2.081     .  0 0 "[    .    1    .    2    .    3]" 1 
        693 1 41 LEU HA  1 45 VAL MG1 3.000 . 3.800 3.177 3.085 3.211     .  0 0 "[    .    1    .    2    .    3]" 1 
        694 1 45 VAL MG1 1 46 GLU H   3.000 . 3.800 2.167 1.758 3.191 0.042 14 0 "[    .    1    .    2    .    3]" 1 
        695 1 45 VAL MG1 1 46 GLU HA  4.000 . 5.500 3.577 3.213 4.256     .  0 0 "[    .    1    .    2    .    3]" 1 
        696 1 45 VAL H   1 45 VAL MG1 4.000 . 5.500 3.599 3.521 3.693     .  0 0 "[    .    1    .    2    .    3]" 1 
        697 1 44 TRP H   1 45 VAL MG1 4.000 . 5.500 4.731 4.678 4.782     .  0 0 "[    .    1    .    2    .    3]" 1 
        698 1 45 VAL H   1 45 VAL MG2 3.000 . 3.800 2.703 2.482 2.880     .  0 0 "[    .    1    .    2    .    3]" 1 
        699 1 45 VAL MG2 1 74 PHE HZ  4.000 . 5.500 3.887 3.284 4.362     .  0 0 "[    .    1    .    2    .    3]" 1 
        700 1 41 LEU HA  1 45 VAL MG2 3.000 . 3.800 2.283 1.787 2.918 0.013 29 0 "[    .    1    .    2    .    3]" 1 
        701 1 46 GLU H   1 46 GLU HA  3.000 . 3.300 2.821 2.350 2.992     .  0 0 "[    .    1    .    2    .    3]" 1 
        702 1 46 GLU HA  1 46 GLU QG  3.000 . 3.300 2.210 1.920 2.649     .  0 0 "[    .    1    .    2    .    3]" 1 
        703 1 46 GLU HA  1 47 TYR H   3.000 . 3.300 2.199 2.163 2.342     .  0 0 "[    .    1    .    2    .    3]" 1 
        704 1 46 GLU HA  1 47 TYR HB2 4.000 . 5.000 4.632 4.470 4.722     .  0 0 "[    .    1    .    2    .    3]" 1 
        705 1 46 GLU QB  1 47 TYR H   4.000 . 5.000 3.615 3.072 3.956     .  0 0 "[    .    1    .    2    .    3]" 1 
        706 1 46 GLU H   1 46 GLU QB  3.000 . 3.300 2.608 2.291 3.039     .  0 0 "[    .    1    .    2    .    3]" 1 
        707 1 47 TYR HB2 1 49 LEU H   4.000 . 5.000 4.660 4.361 4.901     .  0 0 "[    .    1    .    2    .    3]" 1 
        708 1 47 TYR HB2 1 48 PRO HA  4.000 . 5.000 3.299 3.231 3.365     .  0 0 "[    .    1    .    2    .    3]" 1 
        709 1 47 TYR H   1 47 TYR HB2 3.000 . 3.300 2.549 2.431 2.791     .  0 0 "[    .    1    .    2    .    3]" 1 
        710 1 47 TYR HB3 1 48 PRO QB  4.000 . 5.000 3.585 3.518 3.622     .  0 0 "[    .    1    .    2    .    3]" 1 
        711 1 47 TYR HA  1 47 TYR HB3 3.000 . 3.300 2.461 2.426 2.494     .  0 0 "[    .    1    .    2    .    3]" 1 
        712 1 47 TYR HB3 1 49 LEU H   4.000 . 5.000 3.068 2.815 3.300     .  0 0 "[    .    1    .    2    .    3]" 1 
        713 1 47 TYR HB3 1 48 PRO HA  4.000 . 5.000 1.779 1.730 1.807 0.070 23 0 "[    .    1    .    2    .    3]" 1 
        714 1 47 TYR H   1 47 TYR HB3 4.000 . 5.000 3.693 3.603 3.892     .  0 0 "[    .    1    .    2    .    3]" 1 
        715 1 47 TYR HB3 1 83 ASP QB  4.000 . 5.000 2.066 1.848 2.537     .  0 0 "[    .    1    .    2    .    3]" 1 
        716 1 47 TYR QD  1 84 ILE MG  4.000 . 5.500 4.148 4.110 4.183     .  0 0 "[    .    1    .    2    .    3]" 1 
        717 1 47 TYR QD  1 49 LEU HB3 3.000 . 3.300 1.879 1.804 1.979     .  0 0 "[    .    1    .    2    .    3]" 1 
        718 1 47 TYR HB2 1 47 TYR QD  3.000 . 3.300 2.320 2.302 2.345     .  0 0 "[    .    1    .    2    .    3]" 1 
        719 1 47 TYR HB3 1 47 TYR QD  3.000 . 3.300 2.727 2.656 2.776     .  0 0 "[    .    1    .    2    .    3]" 1 
        720 1 47 TYR HA  1 47 TYR QD  3.000 . 3.300 2.067 1.902 2.249     .  0 0 "[    .    1    .    2    .    3]" 1 
        721 1 47 TYR QD  1 48 PRO HA  4.000 . 5.000 3.311 3.160 3.515     .  0 0 "[    .    1    .    2    .    3]" 1 
        722 1 47 TYR QD  1 49 LEU HB2 3.000 . 3.300 2.255 2.011 2.401     .  0 0 "[    .    1    .    2    .    3]" 1 
        723 1 47 TYR QD  1 49 LEU HG  4.000 . 5.000 4.394 4.302 4.491     .  0 0 "[    .    1    .    2    .    3]" 1 
        724 1 45 VAL MG1 1 47 TYR QD  4.000 . 5.500 2.757 2.519 2.985     .  0 0 "[    .    1    .    2    .    3]" 1 
        725 1 46 GLU HA  1 47 TYR QD  4.000 . 5.000 4.471 4.002 4.564     .  0 0 "[    .    1    .    2    .    3]" 1 
        726 1 47 TYR QE  1 49 LEU HG  4.000 . 5.000 4.411 4.295 4.484     .  0 0 "[    .    1    .    2    .    3]" 1 
        727 1 45 VAL MG1 1 47 TYR QE  3.000 . 3.800 1.836 1.745 2.242 0.055 29 0 "[    .    1    .    2    .    3]" 1 
        728 1 41 LEU MD2 1 47 TYR QE  3.000 . 3.800 2.085 1.929 2.199     .  0 0 "[    .    1    .    2    .    3]" 1 
        729 1 47 TYR QE  1 84 ILE MD  3.000 . 3.800 2.085 1.914 2.310     .  0 0 "[    .    1    .    2    .    3]" 1 
        730 1 24 LEU MD2 1 47 TYR QE  4.000 . 5.500 4.114 4.089 4.151     .  0 0 "[    .    1    .    2    .    3]" 1 
        731 1 45 VAL HB  1 47 TYR QE  4.000 . 5.000 3.287 3.004 3.699     .  0 0 "[    .    1    .    2    .    3]" 1 
        732 1 47 TYR QE  1 84 ILE MG  4.000 . 5.500 3.652 3.429 3.796     .  0 0 "[    .    1    .    2    .    3]" 1 
        733 1 41 LEU QB  1 47 TYR QE  4.000 . 5.000 3.653 3.500 3.882     .  0 0 "[    .    1    .    2    .    3]" 1 
        734 1 47 TYR QE  1 77 ALA MB  4.000 . 5.500 3.456 3.250 3.732     .  0 0 "[    .    1    .    2    .    3]" 1 
        735 1 41 LEU HG  1 47 TYR QE  4.000 . 5.000 4.562 4.484 4.625     .  0 0 "[    .    1    .    2    .    3]" 1 
        736 1 47 TYR QE  1 84 ILE HB  4.000 . 5.000 4.478 4.392 4.523     .  0 0 "[    .    1    .    2    .    3]" 1 
        737 1 46 GLU QG  1 47 TYR H   4.000 . 5.000 3.436 2.351 4.464     .  0 0 "[    .    1    .    2    .    3]" 1 
        738 1 47 TYR H   1 47 TYR HA  3.000 . 3.300 2.961 2.914 2.994     .  0 0 "[    .    1    .    2    .    3]" 1 
        739 1 48 PRO HA  1 49 LEU H   3.000 . 3.300 2.212 2.154 2.282     .  0 0 "[    .    1    .    2    .    3]" 1 
        740 1 47 TYR HA  1 48 PRO HA  4.000 . 5.000 2.536 2.470 2.683     .  0 0 "[    .    1    .    2    .    3]" 1 
        741 1 48 PRO HA  1 83 ASP QB  4.000 . 5.000 2.172 1.859 2.405     .  0 0 "[    .    1    .    2    .    3]" 1 
        742 1 48 PRO HA  1 48 PRO QD  4.000 . 5.000 3.442 3.425 3.454     .  0 0 "[    .    1    .    2    .    3]" 1 
        743 1 48 PRO HA  1 49 LEU HA  4.000 . 5.000 4.450 4.435 4.477     .  0 0 "[    .    1    .    2    .    3]" 1 
        744 1 48 PRO QB  1 49 LEU H   4.000 . 5.000 3.141 2.920 3.330     .  0 0 "[    .    1    .    2    .    3]" 1 
        745 1 48 PRO QD  1 83 ASP QB  4.000 . 5.000 3.874 3.539 3.985     .  0 0 "[    .    1    .    2    .    3]" 1 
        746 1 49 LEU HA  1 50 VAL HA  4.000 . 5.000 4.484 4.438 4.501     .  0 0 "[    .    1    .    2    .    3]" 1 
        747 1 49 LEU HA  1 49 LEU HG  4.000 . 5.000 3.207 2.971 3.359     .  0 0 "[    .    1    .    2    .    3]" 1 
        748 1 49 LEU HA  1 49 LEU HB3 3.000 . 3.300 3.004 2.982 3.019     .  0 0 "[    .    1    .    2    .    3]" 1 
        749 1 49 LEU HA  1 49 LEU MD1 3.000 . 3.800 2.374 2.141 2.729     .  0 0 "[    .    1    .    2    .    3]" 1 
        750 1 49 LEU HA  1 50 VAL H   3.000 . 3.300 2.378 2.209 2.433     .  0 0 "[    .    1    .    2    .    3]" 1 
        751 1 45 VAL MG1 1 49 LEU HA  4.000 . 5.500 4.303 4.009 4.558     .  0 0 "[    .    1    .    2    .    3]" 1 
        752 1  1 LYS QB  1 49 LEU HA  4.000 . 5.000 3.747 2.797 4.394     .  0 0 "[    .    1    .    2    .    3]" 1 
        753 1 47 TYR HA  1 49 LEU HA  4.000 . 5.000 3.553 3.349 3.800     .  0 0 "[    .    1    .    2    .    3]" 1 
        754 1 49 LEU HB2 1 50 VAL H   4.000 . 5.000 3.728 3.623 4.089     .  0 0 "[    .    1    .    2    .    3]" 1 
        755 1 47 TYR QE  1 49 LEU HB2 4.000 . 5.000 3.065 2.768 3.191     .  0 0 "[    .    1    .    2    .    3]" 1 
        756 1 49 LEU HB2 1 49 LEU HG  3.000 . 3.300 3.024 2.975 3.033     .  0 0 "[    .    1    .    2    .    3]" 1 
        757 1 49 LEU H   1 49 LEU HB2 3.000 . 3.300 3.243 3.088 3.347 0.047 11 0 "[    .    1    .    2    .    3]" 1 
        758 1 49 LEU HB2 1 84 ILE HA  4.000 . 5.000 4.287 4.013 4.523     .  0 0 "[    .    1    .    2    .    3]" 1 
        759 1 47 TYR HA  1 49 LEU HB2 4.000 . 5.000 3.115 2.960 3.277     .  0 0 "[    .    1    .    2    .    3]" 1 
        760 1 47 TYR QE  1 49 LEU HB3 4.000 . 5.000 2.549 2.363 2.732     .  0 0 "[    .    1    .    2    .    3]" 1 
        761 1 49 LEU HB3 1 84 ILE HA  4.000 . 5.000 2.671 2.388 2.975     .  0 0 "[    .    1    .    2    .    3]" 1 
        762 1 49 LEU H   1 49 LEU HB3 3.000 . 3.300 2.350 2.244 2.504     .  0 0 "[    .    1    .    2    .    3]" 1 
        763 1 49 LEU HB3 1 49 LEU HG  3.000 . 3.300 2.587 2.511 2.717     .  0 0 "[    .    1    .    2    .    3]" 1 
        764 1 47 TYR HA  1 49 LEU HB3 4.000 . 5.000 3.475 3.362 3.768     .  0 0 "[    .    1    .    2    .    3]" 1 
        765 1 49 LEU MD1 1 74 PHE HZ  4.000 . 5.500 4.446 4.187 4.589     .  0 0 "[    .    1    .    2    .    3]" 1 
        766 1 49 LEU MD1 1 50 VAL H   3.000 . 3.800 1.873 1.765 2.913 0.035  6 0 "[    .    1    .    2    .    3]" 1 
        767 1 23 GLU QB  1 49 LEU MD1 4.000 . 5.500 3.734 3.428 4.063     .  0 0 "[    .    1    .    2    .    3]" 1 
        768 1 49 LEU H   1 49 LEU HG  4.000 . 5.000 4.077 3.921 4.184     .  0 0 "[    .    1    .    2    .    3]" 1 
        769 1 49 LEU H   1 49 LEU MD1 4.000 . 5.500 4.404 4.291 4.589     .  0 0 "[    .    1    .    2    .    3]" 1 
        770 1 49 LEU H   1 84 ILE MD  4.000 . 5.500 4.601 4.540 4.637     .  0 0 "[    .    1    .    2    .    3]" 1 
        771 1 47 TYR HA  1 49 LEU H   3.000 . 3.300 2.781 2.418 3.227     .  0 0 "[    .    1    .    2    .    3]" 1 
        772 1 47 TYR QD  1 49 LEU H   3.000 . 3.300 2.417 2.082 2.585     .  0 0 "[    .    1    .    2    .    3]" 1 
        773 1 47 TYR QE  1 49 LEU H   4.000 . 5.000 4.368 4.138 4.477     .  0 0 "[    .    1    .    2    .    3]" 1 
        774 1 50 VAL HA  1 50 VAL HB  3.000 . 3.300 2.969 2.923 3.009     .  0 0 "[    .    1    .    2    .    3]" 1 
        775 1  2 LYS QG  1 50 VAL HB  4.000 . 5.000 3.541 2.489 4.466     .  0 0 "[    .    1    .    2    .    3]" 1 
        776 1 50 VAL H   1 50 VAL HB  3.000 . 3.300 2.453 2.221 2.535     .  0 0 "[    .    1    .    2    .    3]" 1 
        777 1 50 VAL MG1 1 52 GLU HB3 3.000 . 3.800 3.131 3.026 3.215     .  0 0 "[    .    1    .    2    .    3]" 1 
        778 1  2 LYS HB3 1 50 VAL MG1 4.000 . 5.500 3.932 3.333 4.518     .  0 0 "[    .    1    .    2    .    3]" 1 
        779 1  2 LYS QB  1 50 VAL MG1 4.000 . 5.500 2.709 1.869 3.144     .  0 0 "[    .    1    .    2    .    3]" 1 
        780 1  3 ALA H   1 50 VAL MG1 4.000 . 5.500 3.222 2.186 3.456     .  0 0 "[    .    1    .    2    .    3]" 1 
        781 1 50 VAL MG1 1 52 GLU H   3.000 . 3.800 2.294 2.105 2.378     .  0 0 "[    .    1    .    2    .    3]" 1 
        782 1  2 LYS QE  1 50 VAL MG1 3.000 . 3.800 2.215 1.656 2.832 0.144 28 0 "[    .    1    .    2    .    3]" 1 
        783 1 50 VAL HA  1 50 VAL MG1 3.000 . 3.800 2.728 2.586 2.843     .  0 0 "[    .    1    .    2    .    3]" 1 
        784 1 50 VAL MG1 1 85 THR HB  4.000 . 5.500 3.544 3.028 4.611     .  0 0 "[    .    1    .    2    .    3]" 1 
        785 1 50 VAL MG2 1 85 THR HB  3.000 . 3.800 2.584 1.918 3.179     .  0 0 "[    .    1    .    2    .    3]" 1 
        786 1 50 VAL HA  1 50 VAL MG2 3.000 . 3.800 2.132 2.052 2.195     .  0 0 "[    .    1    .    2    .    3]" 1 
        787 1 50 VAL MG2 1 52 GLU H   4.000 . 5.500 4.634 4.599 4.705     .  0 0 "[    .    1    .    2    .    3]" 1 
        788 1 50 VAL H   1 50 VAL MG2 4.000 . 5.500 3.413 3.252 3.547     .  0 0 "[    .    1    .    2    .    3]" 1 
        789 1 49 LEU HA  1 50 VAL MG2 4.000 . 5.500 4.259 4.009 4.593     .  0 0 "[    .    1    .    2    .    3]" 1 
        790 1 49 LEU HB3 1 50 VAL H   4.000 . 5.000 4.002 3.945 4.349     .  0 0 "[    .    1    .    2    .    3]" 1 
        791 1 49 LEU HG  1 50 VAL H   4.000 . 5.000 2.343 2.180 2.975     .  0 0 "[    .    1    .    2    .    3]" 1 
        792 1 51 LEU HA  1 51 LEU HG  3.000 . 3.300 2.766 2.722 2.850     .  0 0 "[    .    1    .    2    .    3]" 1 
        793 1 51 LEU HA  1 51 LEU MD1 3.000 . 3.800 2.322 2.236 2.449     .  0 0 "[    .    1    .    2    .    3]" 1 
        794 1 51 LEU HA  1 51 LEU HB3 3.000 . 3.300 3.030 3.024 3.036     .  0 0 "[    .    1    .    2    .    3]" 1 
        795 1 51 LEU HA  1 51 LEU HB2 3.000 . 3.300 2.508 2.453 2.545     .  0 0 "[    .    1    .    2    .    3]" 1 
        796 1 51 LEU HA  1 52 GLU H   3.000 . 3.300 2.548 2.487 2.617     .  0 0 "[    .    1    .    2    .    3]" 1 
        797 1 51 LEU HA  1 51 LEU MD2 4.000 . 5.500 3.848 3.826 3.876     .  0 0 "[    .    1    .    2    .    3]" 1 
        798 1 51 LEU H   1 51 LEU HB2 3.000 . 3.300 2.710 2.621 3.223     .  0 0 "[    .    1    .    2    .    3]" 1 
        799 1 51 LEU HB2 1 86 ILE HA  4.000 . 5.000 3.358 3.231 3.477     .  0 0 "[    .    1    .    2    .    3]" 1 
        800 1 51 LEU HB3 1 51 LEU MD1 3.000 . 3.800 3.153 3.144 3.167     .  0 0 "[    .    1    .    2    .    3]" 1 
        801 1 51 LEU HB3 1 86 ILE HA  3.000 . 3.300 1.798 1.755 1.860 0.045 15 0 "[    .    1    .    2    .    3]" 1 
        802 1 51 LEU HB3 1 51 LEU MD2 3.000 . 3.800 2.208 1.986 2.304     .  0 0 "[    .    1    .    2    .    3]" 1 
        803 1 51 LEU HB3 1 51 LEU HG  3.000 . 3.300 2.600 2.571 2.644     .  0 0 "[    .    1    .    2    .    3]" 1 
        804 1 51 LEU H   1 51 LEU HB3 3.000 . 3.300 2.571 2.439 2.777     .  0 0 "[    .    1    .    2    .    3]" 1 
        805 1 20 LEU MD1 1 51 LEU MD1 4.000 . 6.000 3.956 3.524 4.176     .  0 0 "[    .    1    .    2    .    3]" 1 
        806 1 51 LEU MD1 1 53 TRP QB  4.000 . 5.500 4.102 3.790 4.167     .  0 0 "[    .    1    .    2    .    3]" 1 
        807 1 51 LEU MD1 1 51 LEU HG  2.400 . 3.200 2.111 2.097 2.127     .  0 0 "[    .    1    .    2    .    3]" 1 
        808 1 51 LEU MD1 1 74 PHE QE  4.000 . 5.500 2.295 2.133 2.397     .  0 0 "[    .    1    .    2    .    3]" 1 
        809 1 51 LEU MD2 1 53 TRP HZ3 4.000 . 5.500 2.671 2.284 3.149     .  0 0 "[    .    1    .    2    .    3]" 1 
        810 1 51 LEU MD2 1 74 PHE HB3 4.000 . 5.500 1.967 1.823 2.339     .  0 0 "[    .    1    .    2    .    3]" 1 
        811 1 51 LEU MD2 1 71 LEU MD1 3.000 . 4.300 1.830 1.651 2.271 0.149  5 0 "[    .    1    .    2    .    3]" 1 
        812 1 51 LEU MD2 1 70 VAL MG1 4.000 . 6.000 3.473 3.166 3.814     .  0 0 "[    .    1    .    2    .    3]" 1 
        813 1 51 LEU MD2 1 53 TRP QB  4.000 . 5.500 2.912 2.740 3.155     .  0 0 "[    .    1    .    2    .    3]" 1 
        814 1 51 LEU MD2 1 74 PHE H   4.000 . 5.500 4.268 4.095 4.594     .  0 0 "[    .    1    .    2    .    3]" 1 
        815 1 51 LEU H   1 51 LEU MD2 4.000 . 5.500 4.320 4.160 4.540     .  0 0 "[    .    1    .    2    .    3]" 1 
        816 1 51 LEU MD2 1 74 PHE HB2 3.000 . 3.800 2.487 2.352 2.753     .  0 0 "[    .    1    .    2    .    3]" 1 
        817 1 51 LEU MD2 1 86 ILE HA  4.000 . 5.500 2.580 1.850 3.252     .  0 0 "[    .    1    .    2    .    3]" 1 
        818 1 51 LEU MD2 1 74 PHE HA  4.000 . 5.500 4.104 3.937 4.370     .  0 0 "[    .    1    .    2    .    3]" 1 
        819 1 51 LEU H   1 51 LEU MD1 4.000 . 5.500 4.166 4.081 4.437     .  0 0 "[    .    1    .    2    .    3]" 1 
        820 1 51 LEU H   1 86 ILE HA  4.000 . 5.000 3.428 2.733 3.888     .  0 0 "[    .    1    .    2    .    3]" 1 
        821 1 50 VAL HA  1 51 LEU H   4.000 . 5.000 2.265 2.235 2.300     .  0 0 "[    .    1    .    2    .    3]" 1 
        822 1  4 VAL HA  1 52 GLU HA  4.000 . 5.000 4.575 4.397 4.661     .  0 0 "[    .    1    .    2    .    3]" 1 
        823 1 52 GLU HA  1 53 TRP H   4.000 . 5.000 2.374 2.345 2.393     .  0 0 "[    .    1    .    2    .    3]" 1 
        824 1 52 GLU HA  1 87 ILE H   4.000 . 5.000 3.336 3.184 3.548     .  0 0 "[    .    1    .    2    .    3]" 1 
        825 1 52 GLU HA  1 52 GLU HB3 3.000 . 3.300 3.029 3.021 3.034     .  0 0 "[    .    1    .    2    .    3]" 1 
        826 1 52 GLU HA  1 87 ILE HB  3.000 . 3.300 1.857 1.814 2.027     .  0 0 "[    .    1    .    2    .    3]" 1 
        827 1 52 GLU HA  1 87 ILE MD  4.000 . 5.500 2.650 1.785 4.546 0.015  8 0 "[    .    1    .    2    .    3]" 1 
        828 1 52 GLU HA  1 87 ILE MG  4.000 . 5.500 3.063 2.892 3.329     .  0 0 "[    .    1    .    2    .    3]" 1 
        829 1 50 VAL MG1 1 52 GLU HA  4.000 . 5.500 3.505 3.303 3.784     .  0 0 "[    .    1    .    2    .    3]" 1 
        830 1 52 GLU HA  1 52 GLU HB2 3.000 . 3.300 2.407 2.367 2.436     .  0 0 "[    .    1    .    2    .    3]" 1 
        831 1 52 GLU H   1 52 GLU HB2 3.000 . 3.300 2.724 2.620 2.803     .  0 0 "[    .    1    .    2    .    3]" 1 
        832 1  4 VAL MG2 1 52 GLU HB2 4.000 . 5.500 3.263 2.893 3.771     .  0 0 "[    .    1    .    2    .    3]" 1 
        833 1 52 GLU H   1 52 GLU HB3 3.000 . 3.300 2.396 2.286 2.482     .  0 0 "[    .    1    .    2    .    3]" 1 
        834 1  4 VAL MG2 1 52 GLU HB3 3.000 . 3.800 2.039 1.759 2.631 0.041  6 0 "[    .    1    .    2    .    3]" 1 
        835 1 51 LEU MD1 1 52 GLU H   4.000 . 5.500 4.276 4.125 4.467     .  0 0 "[    .    1    .    2    .    3]" 1 
        836 1  3 ALA MB  1 52 GLU H   4.000 . 5.500 3.896 3.572 4.117     .  0 0 "[    .    1    .    2    .    3]" 1 
        837 1  4 VAL HA  1 52 GLU H   4.000 . 5.000 3.262 3.133 3.383     .  0 0 "[    .    1    .    2    .    3]" 1 
        838 1 53 TRP HA  1 54 ARG HA  4.000 . 5.000 4.521 4.436 4.604     .  0 0 "[    .    1    .    2    .    3]" 1 
        839 1 51 LEU HG  1 53 TRP HA  4.000 . 5.000 3.898 3.834 3.990     .  0 0 "[    .    1    .    2    .    3]" 1 
        840 1 53 TRP HA  1 54 ARG H   3.000 . 3.300 2.254 2.183 2.337     .  0 0 "[    .    1    .    2    .    3]" 1 
        841 1  5 ILE MG  1 53 TRP HA  4.000 . 5.500 3.582 3.490 3.873     .  0 0 "[    .    1    .    2    .    3]" 1 
        842 1 51 LEU MD2 1 53 TRP HA  4.000 . 5.500 4.683 4.636 4.739     .  0 0 "[    .    1    .    2    .    3]" 1 
        843 1 51 LEU MD1 1 53 TRP HA  4.000 . 5.500 4.557 4.366 4.655     .  0 0 "[    .    1    .    2    .    3]" 1 
        844 1  5 ILE QG  1 53 TRP HA  4.000 . 5.000 2.400 2.066 3.683     .  0 0 "[    .    1    .    2    .    3]" 1 
        845 1  5 ILE HA  1 53 TRP HA  4.000 . 5.000 4.319 4.173 4.571     .  0 0 "[    .    1    .    2    .    3]" 1 
        846 1  5 ILE MG  1 53 TRP HD1 3.000 . 3.800 3.126 2.541 3.212     .  0 0 "[    .    1    .    2    .    3]" 1 
        847 1 53 TRP HA  1 53 TRP HD1 3.000 . 3.300 3.130 2.699 3.281     .  0 0 "[    .    1    .    2    .    3]" 1 
        848 1 53 TRP HD1 1 88 LEU MD2 4.000 . 5.500 4.022 3.368 4.475     .  0 0 "[    .    1    .    2    .    3]" 1 
        849 1  5 ILE QG  1 53 TRP HD1 4.000 . 5.000 4.055 3.777 4.718     .  0 0 "[    .    1    .    2    .    3]" 1 
        850 1 53 TRP HD1 1 56 PHE QB  4.000 . 5.000 2.862 2.235 3.830     .  0 0 "[    .    1    .    2    .    3]" 1 
        851 1 53 TRP HD1 1 56 PHE HA  4.000 . 5.000 2.758 2.416 3.183     .  0 0 "[    .    1    .    2    .    3]" 1 
        852 1 53 TRP HD1 1 56 PHE QD  4.000 . 5.000 3.272 2.930 4.266     .  0 0 "[    .    1    .    2    .    3]" 1 
        853 1 51 LEU HG  1 53 TRP HE3 3.000 . 3.300 2.855 2.706 3.177     .  0 0 "[    .    1    .    2    .    3]" 1 
        854 1 53 TRP HE3 1 71 LEU MD1 3.000 . 3.800 2.398 2.185 3.162     .  0 0 "[    .    1    .    2    .    3]" 1 
        855 1 51 LEU MD1 1 53 TRP HE3 3.000 . 3.800 3.076 2.981 3.225     .  0 0 "[    .    1    .    2    .    3]" 1 
        856 1 53 TRP HE3 1 71 LEU HG  4.000 . 5.000 4.957 4.419 5.108 0.108 15 0 "[    .    1    .    2    .    3]" 1 
        857 1  5 ILE MD  1 53 TRP HE3 3.000 . 3.800 3.079 2.251 3.233     .  0 0 "[    .    1    .    2    .    3]" 1 
        858 1 53 TRP HE3 1 88 LEU MD2 4.000 . 5.500 3.893 2.537 4.582     .  0 0 "[    .    1    .    2    .    3]" 1 
        859 1 53 TRP HA  1 53 TRP HE3 4.000 . 5.000 4.123 3.963 4.442     .  0 0 "[    .    1    .    2    .    3]" 1 
        860 1 51 LEU MD2 1 53 TRP HE3 3.000 . 3.800 1.790 1.716 1.875 0.084 15 0 "[    .    1    .    2    .    3]" 1 
        861 1  5 ILE MG  1 53 TRP HE3 4.000 . 5.500 4.260 4.065 4.738     .  0 0 "[    .    1    .    2    .    3]" 1 
        862 1 53 TRP QB  1 53 TRP HE3 3.000 . 3.300 2.433 2.386 2.490     .  0 0 "[    .    1    .    2    .    3]" 1 
        863 1 53 TRP HE3 1 56 PHE QE  4.000 . 5.000 4.277 3.220 4.480     .  0 0 "[    .    1    .    2    .    3]" 1 
        864 1 53 TRP HH2 1 70 VAL HB  3.000 . 3.300 2.096 1.856 2.455     .  0 0 "[    .    1    .    2    .    3]" 1 
        865 1 53 TRP HH2 1 53 TRP HZ3 2.400 . 2.700 2.486 2.480 2.491     .  0 0 "[    .    1    .    2    .    3]" 1 
        866 1 16 LEU MD1 1 53 TRP HH2 3.000 . 3.800 3.200 3.173 3.231     .  0 0 "[    .    1    .    2    .    3]" 1 
        867 1 53 TRP HH2 1 67 ALA HA  3.000 . 3.300 2.233 1.894 2.609     .  0 0 "[    .    1    .    2    .    3]" 1 
        868 1 20 LEU MD1 1 53 TRP HH2 4.000 . 5.500 3.472 3.134 3.735     .  0 0 "[    .    1    .    2    .    3]" 1 
        869 1 53 TRP HH2 1 56 PHE QE  4.000 . 5.000 3.816 3.204 4.351     .  0 0 "[    .    1    .    2    .    3]" 1 
        870 1 53 TRP HH2 1 70 VAL MG1 3.000 . 3.800 3.021 2.779 3.185     .  0 0 "[    .    1    .    2    .    3]" 1 
        871 1 53 TRP HH2 1 67 ALA MB  3.000 . 3.800 3.026 2.680 3.188     .  0 0 "[    .    1    .    2    .    3]" 1 
        872 1 53 TRP HH2 1 70 VAL MG2 4.000 . 5.500 3.270 2.641 3.694     .  0 0 "[    .    1    .    2    .    3]" 1 
        873 1 16 LEU HG  1 53 TRP HH2 4.000 . 5.000 3.584 2.983 4.037     .  0 0 "[    .    1    .    2    .    3]" 1 
        874 1 16 LEU MD2 1 53 TRP HH2 3.000 . 3.800 2.580 2.428 2.908     .  0 0 "[    .    1    .    2    .    3]" 1 
        875 1 16 LEU MD1 1 53 TRP HZ2 3.000 . 3.800 3.146 2.821 3.194     .  0 0 "[    .    1    .    2    .    3]" 1 
        876 1  5 ILE MD  1 53 TRP HZ2 4.000 . 5.500 3.553 3.001 4.173     .  0 0 "[    .    1    .    2    .    3]" 1 
        877 1  5 ILE QG  1 53 TRP HZ2 4.000 . 5.000 4.414 3.383 4.552     .  0 0 "[    .    1    .    2    .    3]" 1 
        878 1 16 LEU MD2 1 53 TRP HZ2 3.000 . 3.800 1.765 1.669 1.845 0.131 10 0 "[    .    1    .    2    .    3]" 1 
        879 1 53 TRP HZ2 1 67 ALA MB  3.000 . 3.800 1.880 1.741 2.405 0.059 11 0 "[    .    1    .    2    .    3]" 1 
        880 1  5 ILE MG  1 53 TRP HZ2 4.000 . 5.500 2.624 2.326 2.801     .  0 0 "[    .    1    .    2    .    3]" 1 
        881 1  5 ILE HB  1 53 TRP HZ2 4.000 . 5.000 4.929 4.435 5.037 0.037  5 0 "[    .    1    .    2    .    3]" 1 
        882 1 53 TRP HZ2 1 67 ALA HA  4.000 . 5.000 2.834 2.429 3.362     .  0 0 "[    .    1    .    2    .    3]" 1 
        883 1 53 TRP HZ3 1 70 VAL HB  4.000 . 5.000 2.881 2.403 3.342     .  0 0 "[    .    1    .    2    .    3]" 1 
        884 1 53 TRP HZ3 1 71 LEU HG  4.000 . 5.000 5.073 5.016 5.129 0.129  5 0 "[    .    1    .    2    .    3]" 1 
        885 1 53 TRP HZ3 1 71 LEU QB  4.000 . 5.000 3.171 2.754 4.452     .  0 0 "[    .    1    .    2    .    3]" 1 
        886 1 53 TRP HZ3 1 71 LEU HA  4.000 . 5.000 3.067 2.777 3.974     .  0 0 "[    .    1    .    2    .    3]" 1 
        887 1 51 LEU MD1 1 53 TRP HZ3 3.000 . 3.800 3.230 3.179 3.347     .  0 0 "[    .    1    .    2    .    3]" 1 
        888 1 53 TRP HZ3 1 71 LEU MD1 4.000 . 5.500 2.572 2.212 3.591     .  0 0 "[    .    1    .    2    .    3]" 1 
        889 1 53 TRP HZ3 1 70 VAL MG1 3.000 . 3.800 2.255 1.877 2.525     .  0 0 "[    .    1    .    2    .    3]" 1 
        890 1 16 LEU MD1 1 53 TRP HZ3 4.000 . 5.500 4.375 4.214 4.631     .  0 0 "[    .    1    .    2    .    3]" 1 
        891 1 53 TRP HZ3 1 70 VAL MG2 4.000 . 5.500 4.292 3.738 4.545     .  0 0 "[    .    1    .    2    .    3]" 1 
        892 1 16 LEU MD2 1 53 TRP HZ3 4.000 . 5.500 4.604 4.574 4.651     .  0 0 "[    .    1    .    2    .    3]" 1 
        893 1 54 ARG QB  1 54 ARG QD  3.000 . 3.300 2.277 1.878 2.585     .  0 0 "[    .    1    .    2    .    3]" 1 
        894 1  5 ILE QG  1 54 ARG H   4.000 . 5.000 3.853 3.485 4.606     .  0 0 "[    .    1    .    2    .    3]" 1 
        895 1 53 TRP HD1 1 54 ARG H   4.000 . 5.000 3.120 1.976 3.676     .  0 0 "[    .    1    .    2    .    3]" 1 
        896 1  5 ILE HB  1 56 PHE HA  4.000 . 5.000 4.986 4.756 5.104 0.104 17 0 "[    .    1    .    2    .    3]" 1 
        897 1 56 PHE QB  1 88 LEU MD2 4.000 . 5.500 2.313 1.842 3.053     .  0 0 "[    .    1    .    2    .    3]" 1 
        898 1 56 PHE QD  1 88 LEU MD2 4.000 . 5.500 2.465 2.076 3.008     .  0 0 "[    .    1    .    2    .    3]" 1 
        899 1 56 PHE QD  1 71 LEU MD2 4.000 . 5.500 2.797 2.297 3.204     .  0 0 "[    .    1    .    2    .    3]" 1 
        900 1 56 PHE HA  1 56 PHE QD  3.000 . 3.300 2.649 1.838 2.970     .  0 0 "[    .    1    .    2    .    3]" 1 
        901 1 56 PHE QE  1 71 LEU MD2 3.000 . 3.800 2.032 1.680 2.301 0.120 22 0 "[    .    1    .    2    .    3]" 1 
        902 1 56 PHE QE  1 60 LYS QG  4.000 . 5.000 3.130 1.948 3.983     .  0 0 "[    .    1    .    2    .    3]" 1 
        903 1 56 PHE QE  1 60 LYS QD  4.000 . 5.000 2.815 1.823 3.970     .  0 0 "[    .    1    .    2    .    3]" 1 
        904 1 56 PHE QE  1 68 GLU HA  4.000 . 5.000 3.048 2.483 3.828     .  0 0 "[    .    1    .    2    .    3]" 1 
        905 1 56 PHE QE  1 88 LEU MD2 4.000 . 5.500 3.218 2.788 4.075     .  0 0 "[    .    1    .    2    .    3]" 1 
        906 1 56 PHE QE  1 71 LEU HG  4.000 . 5.000 4.274 3.187 4.522     .  0 0 "[    .    1    .    2    .    3]" 1 
        907 1 56 PHE QE  1 71 LEU QB  4.000 . 5.000 2.436 1.975 3.523     .  0 0 "[    .    1    .    2    .    3]" 1 
        908 1 56 PHE QE  1 67 ALA MB  3.000 . 3.800 2.627 1.832 2.849     .  0 0 "[    .    1    .    2    .    3]" 1 
        909 1 56 PHE QE  1 71 LEU MD1 4.000 . 5.500 3.838 3.095 4.152     .  0 0 "[    .    1    .    2    .    3]" 1 
        910 1 56 PHE HZ  1 68 GLU QB  4.000 . 5.000 3.276 2.305 4.075     .  0 0 "[    .    1    .    2    .    3]" 1 
        911 1 56 PHE HZ  1 71 LEU MD2 3.000 . 3.800 2.784 2.214 3.189     .  0 0 "[    .    1    .    2    .    3]" 1 
        912 1 56 PHE HZ  1 68 GLU HA  3.000 . 3.300 1.929 1.835 2.567     .  0 0 "[    .    1    .    2    .    3]" 1 
        913 1 56 PHE HZ  1 68 GLU QG  4.000 . 5.000 2.740 1.750 4.296 0.050  6 0 "[    .    1    .    2    .    3]" 1 
        914 1 57 GLU HA  1 58 GLN H   4.000 . 5.000 3.562 3.483 3.592     .  0 0 "[    .    1    .    2    .    3]" 1 
        915 1 57 GLU HA  1 60 LYS QB  4.000 . 5.000 2.992 1.835 4.109     .  0 0 "[    .    1    .    2    .    3]" 1 
        916 1 57 GLU HA  1 57 GLU QG  3.000 . 3.300 2.221 1.914 3.088     .  0 0 "[    .    1    .    2    .    3]" 1 
        917 1 57 GLU HA  1 60 LYS QD  4.000 . 5.000 3.570 2.253 4.468     .  0 0 "[    .    1    .    2    .    3]" 1 
        918 1 57 GLU H   1 57 GLU QB  3.000 . 3.300 2.228 2.068 2.972     .  0 0 "[    .    1    .    2    .    3]" 1 
        919 1 56 PHE QB  1 57 GLU H   4.000 . 5.000 2.531 1.850 3.286     .  0 0 "[    .    1    .    2    .    3]" 1 
        920 1 56 PHE QD  1 57 GLU H   4.000 . 5.000 3.461 2.098 4.277     .  0 0 "[    .    1    .    2    .    3]" 1 
        921 1 55 GLN HA  1 57 GLU H   4.000 . 5.000 3.853 3.081 5.000     .  0 0 "[    .    1    .    2    .    3]" 1 
        922 1 57 GLU H   1 57 GLU QG  4.000 . 5.000 3.281 1.779 4.061 0.021 10 0 "[    .    1    .    2    .    3]" 1 
        923 1 57 GLU H   1 58 GLN H   4.000 . 5.000 3.070 2.659 3.536     .  0 0 "[    .    1    .    2    .    3]" 1 
        924 1 58 GLN H   1 58 GLN HA  3.000 . 3.300 2.830 2.767 2.933     .  0 0 "[    .    1    .    2    .    3]" 1 
        925 1 58 GLN HA  1 59 SER H   4.000 . 5.000 2.840 2.219 3.600     .  0 0 "[    .    1    .    2    .    3]" 1 
        926 1 58 GLN QB  1 59 SER HA  4.000 . 5.000 4.103 3.759 4.467     .  0 0 "[    .    1    .    2    .    3]" 1 
        927 1 58 GLN H   1 58 GLN QG  3.000 . 3.300 1.869 1.766 2.444 0.034 23 0 "[    .    1    .    2    .    3]" 1 
        928 1 55 GLN HA  1 58 GLN QG  4.000 . 5.000 4.208 3.729 4.478     .  0 0 "[    .    1    .    2    .    3]" 1 
        929 1 57 GLU QB  1 58 GLN H   3.000 . 3.300 2.271 1.827 2.928     .  0 0 "[    .    1    .    2    .    3]" 1 
        930 1 59 SER HA  1 62 LEU H   4.000 . 5.000 4.203 3.253 4.906     .  0 0 "[    .    1    .    2    .    3]" 1 
        931 1 59 SER HA  1 62 LEU QB  4.000 . 5.000 3.718 1.817 4.501     .  0 0 "[    .    1    .    2    .    3]" 1 
        932 1 59 SER HA  1 63 THR H   4.000 . 5.000 4.918 4.261 5.022 0.022 10 0 "[    .    1    .    2    .    3]" 1 
        933 1 58 GLN QB  1 59 SER H   4.000 . 5.000 2.616 1.910 3.123     .  0 0 "[    .    1    .    2    .    3]" 1 
        934 1 59 SER H   1 60 LYS H   4.000 . 5.000 2.938 2.429 3.255     .  0 0 "[    .    1    .    2    .    3]" 1 
        935 1 60 LYS HA  1 60 LYS QG  3.000 . 3.300 2.331 1.909 2.482     .  0 0 "[    .    1    .    2    .    3]" 1 
        936 1 60 LYS HA  1 67 ALA MB  3.000 . 3.800 2.251 1.882 2.733     .  0 0 "[    .    1    .    2    .    3]" 1 
        937 1 60 LYS H   1 60 LYS HA  3.000 . 3.300 2.918 2.754 2.936     .  0 0 "[    .    1    .    2    .    3]" 1 
        938 1 60 LYS HA  1 60 LYS QE  4.000 . 5.000 4.159 2.528 4.488     .  0 0 "[    .    1    .    2    .    3]" 1 
        939 1 60 LYS HA  1 67 ALA H   4.000 . 5.000 2.964 2.690 3.337     .  0 0 "[    .    1    .    2    .    3]" 1 
        940 1 60 LYS HA  1 61 GLN H   4.000 . 5.000 3.526 3.479 3.585     .  0 0 "[    .    1    .    2    .    3]" 1 
        941 1 60 LYS H   1 60 LYS QB  3.000 . 3.300 2.264 2.071 2.301     .  0 0 "[    .    1    .    2    .    3]" 1 
        942 1 60 LYS QB  1 61 GLN H   4.000 . 5.000 2.695 1.860 2.982     .  0 0 "[    .    1    .    2    .    3]" 1 
        943 1 60 LYS QB  1 60 LYS QE  4.000 . 5.000 3.043 1.825 3.632     .  0 0 "[    .    1    .    2    .    3]" 1 
        944 1 60 LYS H   1 60 LYS QD  4.000 . 5.000 4.275 3.900 4.466     .  0 0 "[    .    1    .    2    .    3]" 1 
        945 1 59 SER QB  1 60 LYS H   4.000 . 5.000 3.074 2.497 3.849     .  0 0 "[    .    1    .    2    .    3]" 1 
        946 1 57 GLU HA  1 60 LYS H   4.000 . 5.000 4.216 3.248 5.003 0.003 13 0 "[    .    1    .    2    .    3]" 1 
        947 1 60 LYS H   1 60 LYS QG  4.000 . 5.000 3.947 2.553 4.055     .  0 0 "[    .    1    .    2    .    3]" 1 
        948 1 60 LYS H   1 61 GLN H   3.000 . 3.300 2.516 2.388 3.239     .  0 0 "[    .    1    .    2    .    3]" 1 
        949 1 58 GLN QB  1 60 LYS H   4.000 . 5.000 4.464 4.222 4.539     .  0 0 "[    .    1    .    2    .    3]" 1 
        950 1 59 SER HA  1 60 LYS H   4.000 . 5.000 3.483 3.300 3.558     .  0 0 "[    .    1    .    2    .    3]" 1 
        951 1 61 GLN QB  1 62 LEU H   3.000 . 3.300 2.319 1.852 3.032     .  0 0 "[    .    1    .    2    .    3]" 1 
        952 1 58 GLN HA  1 61 GLN QB  4.000 . 5.000 3.762 2.721 4.499     .  0 0 "[    .    1    .    2    .    3]" 1 
        953 1 61 GLN H   1 61 GLN QB  3.000 . 3.300 2.229 2.096 2.413     .  0 0 "[    .    1    .    2    .    3]" 1 
        954 1 61 GLN QB  1 62 LEU MD1 4.000 . 5.500 2.938 2.247 3.419     .  0 0 "[    .    1    .    2    .    3]" 1 
        955 1 61 GLN H   1 61 GLN HA  3.000 . 3.300 2.917 2.866 2.933     .  0 0 "[    .    1    .    2    .    3]" 1 
        956 1 61 GLN H   1 62 LEU MD2 4.000 . 5.500 4.654 4.614 4.697     .  0 0 "[    .    1    .    2    .    3]" 1 
        957 1 60 LYS QG  1 61 GLN H   4.000 . 5.000 3.975 3.035 4.534     .  0 0 "[    .    1    .    2    .    3]" 1 
        958 1 62 LEU HA  1 62 LEU MD1 4.000 . 5.500 3.074 2.050 3.470     .  0 0 "[    .    1    .    2    .    3]" 1 
        959 1 62 LEU H   1 62 LEU HA  3.000 . 3.300 2.763 2.612 2.908     .  0 0 "[    .    1    .    2    .    3]" 1 
        960 1 62 LEU HA  1 62 LEU HG  3.000 . 3.300 3.079 2.527 3.384 0.084 25 0 "[    .    1    .    2    .    3]" 1 
        961 1 62 LEU H   1 62 LEU QB  3.000 . 3.300 2.779 2.262 3.032     .  0 0 "[    .    1    .    2    .    3]" 1 
        962 1 61 GLN H   1 62 LEU MD1 4.000 . 5.500 2.472 2.272 3.022     .  0 0 "[    .    1    .    2    .    3]" 1 
        963 1 62 LEU H   1 62 LEU MD1 4.000 . 5.500 1.923 1.722 2.138 0.078 15 0 "[    .    1    .    2    .    3]" 1 
        964 1 60 LYS QB  1 62 LEU MD1 4.000 . 5.500 4.162 4.120 4.198     .  0 0 "[    .    1    .    2    .    3]" 1 
        965 1 62 LEU HA  1 62 LEU MD2 4.000 . 5.500 3.972 3.793 4.078     .  0 0 "[    .    1    .    2    .    3]" 1 
        966 1 62 LEU H   1 62 LEU MD2 4.000 . 5.500 3.483 3.325 3.567     .  0 0 "[    .    1    .    2    .    3]" 1 
        967 1 61 GLN HA  1 62 LEU H   3.000 . 3.300 3.464 3.366 3.519 0.219  8 0 "[    .    1    .    2    .    3]" 1 
        968 1 62 LEU H   1 63 THR H   3.000 . 3.300 2.879 2.560 3.282     .  0 0 "[    .    1    .    2    .    3]" 1 
        969 1 61 GLN H   1 62 LEU H   3.000 . 3.300 2.659 2.323 3.031     .  0 0 "[    .    1    .    2    .    3]" 1 
        970 1 63 THR HA  1 63 THR MG  3.000 . 3.800 3.169 3.108 3.196     .  0 0 "[    .    1    .    2    .    3]" 1 
        971 1 63 THR MG  1 64 GLU QG  4.000 . 5.500 3.572 3.111 3.737     .  0 0 "[    .    1    .    2    .    3]" 1 
        972 1 63 THR H   1 63 THR MG  4.000 . 5.500 2.140 1.776 2.384 0.024 11 0 "[    .    1    .    2    .    3]" 1 
        973 1 61 GLN H   1 63 THR MG  4.000 . 5.500 4.126 3.724 4.612     .  0 0 "[    .    1    .    2    .    3]" 1 
        974 1 63 THR MG  1 66 GLY QA  3.000 . 3.800 2.500 2.000 2.834     .  0 0 "[    .    1    .    2    .    3]" 1 
        975 1 62 LEU H   1 63 THR MG  4.000 . 5.500 4.115 3.094 4.600     .  0 0 "[    .    1    .    2    .    3]" 1 
        976 1 62 LEU QB  1 63 THR H   4.000 . 5.000 3.235 2.577 3.441     .  0 0 "[    .    1    .    2    .    3]" 1 
        977 1 63 THR H   1 64 GLU HA  4.000 . 5.000 4.738 4.244 5.024 0.024 24 0 "[    .    1    .    2    .    3]" 1 
        978 1 62 LEU MD1 1 63 THR H   4.000 . 5.500 2.385 1.743 3.910 0.057 18 0 "[    .    1    .    2    .    3]" 1 
        979 1 63 THR H   1 64 GLU H   4.000 . 5.000 3.807 2.944 4.185     .  0 0 "[    .    1    .    2    .    3]" 1 
        980 1 62 LEU HA  1 63 THR H   3.000 . 3.300 3.426 3.267 3.528 0.228 24 0 "[    .    1    .    2    .    3]" 1 
        981 1 61 GLN QB  1 63 THR H   4.000 . 5.000 4.298 4.184 4.487     .  0 0 "[    .    1    .    2    .    3]" 1 
        982 1 64 GLU H   1 64 GLU HA  3.000 . 3.300 2.900 2.774 2.991     .  0 0 "[    .    1    .    2    .    3]" 1 
        983 1 63 THR HB  1 64 GLU H   3.000 . 3.300 3.384 3.364 3.424 0.124 23 0 "[    .    1    .    2    .    3]" 1 
        984 1 64 GLU H   1 65 ASN H   4.000 . 5.000 2.686 1.794 3.545 0.006 23 0 "[    .    1    .    2    .    3]" 1 
        985 1 63 THR MG  1 64 GLU H   4.000 . 5.500 1.873 1.786 1.957 0.014  6 0 "[    .    1    .    2    .    3]" 1 
        986 1 65 ASN HA  1 68 GLU H   3.000 . 3.300 3.311 3.139 3.355 0.055 10 0 "[    .    1    .    2    .    3]" 1 
        987 1 65 ASN H   1 65 ASN HA  3.000 . 3.300 2.515 2.345 2.948     .  0 0 "[    .    1    .    2    .    3]" 1 
        988 1 63 THR MG  1 65 ASN HA  4.000 . 5.500 4.064 3.211 4.565     .  0 0 "[    .    1    .    2    .    3]" 1 
        989 1 64 GLU H   1 65 ASN QB  4.000 . 5.000 4.523 4.443 4.611     .  0 0 "[    .    1    .    2    .    3]" 1 
        990 1 64 GLU QG  1 65 ASN H   4.000 . 5.000 3.607 1.848 4.441     .  0 0 "[    .    1    .    2    .    3]" 1 
        991 1 65 ASN H   1 66 GLY QA  4.000 . 5.000 4.169 3.543 4.512     .  0 0 "[    .    1    .    2    .    3]" 1 
        992 1 13 ILE QG  1 66 GLY QA  4.000 . 5.000 2.152 1.753 2.554 0.047  7 0 "[    .    1    .    2    .    3]" 1 
        993 1 66 GLY QA  1 70 VAL H   4.000 . 5.000 4.093 3.594 4.356     .  0 0 "[    .    1    .    2    .    3]" 1 
        994 1 66 GLY QA  1 67 ALA H   3.000 . 3.300 2.538 2.366 2.727     .  0 0 "[    .    1    .    2    .    3]" 1 
        995 1 63 THR HB  1 66 GLY QA  4.000 . 5.000 4.183 3.912 4.481     .  0 0 "[    .    1    .    2    .    3]" 1 
        996 1 64 GLU H   1 66 GLY QA  4.000 . 5.000 3.753 3.300 4.488     .  0 0 "[    .    1    .    2    .    3]" 1 
        997 1 66 GLY QA  1 68 GLU H   4.000 . 5.000 4.177 3.748 4.476     .  0 0 "[    .    1    .    2    .    3]" 1 
        998 1 13 ILE HB  1 66 GLY QA  4.000 . 5.000 3.316 2.170 4.095     .  0 0 "[    .    1    .    2    .    3]" 1 
        999 1 64 GLU QG  1 66 GLY H   4.000 . 5.000 3.629 3.103 4.462     .  0 0 "[    .    1    .    2    .    3]" 1 
       1000 1 13 ILE QG  1 66 GLY H   4.000 . 5.000 4.129 3.098 4.485     .  0 0 "[    .    1    .    2    .    3]" 1 
       1001 1 66 GLY H   1 67 ALA H   3.000 . 3.300 2.864 2.384 3.130     .  0 0 "[    .    1    .    2    .    3]" 1 
       1002 1 60 LYS QG  1 66 GLY H   4.000 . 5.000 4.259 3.802 4.484     .  0 0 "[    .    1    .    2    .    3]" 1 
       1003 1 65 ASN QB  1 66 GLY H   4.000 . 5.000 3.627 3.243 4.072     .  0 0 "[    .    1    .    2    .    3]" 1 
       1004 1 65 ASN H   1 66 GLY H   4.000 . 5.000 2.332 1.841 2.631     .  0 0 "[    .    1    .    2    .    3]" 1 
       1005 1 63 THR HB  1 66 GLY H   4.000 . 5.000 4.422 3.989 4.707     .  0 0 "[    .    1    .    2    .    3]" 1 
       1006 1 60 LYS HA  1 67 ALA HA  4.000 . 5.000 4.956 4.620 5.074 0.074  5 0 "[    .    1    .    2    .    3]" 1 
       1007 1 67 ALA HA  1 71 LEU QB  4.000 . 5.000 4.478 4.288 4.534     .  0 0 "[    .    1    .    2    .    3]" 1 
       1008 1 67 ALA HA  1 70 VAL HB  3.000 . 3.300 3.043 2.622 3.322 0.022  5 0 "[    .    1    .    2    .    3]" 1 
       1009 1 67 ALA H   1 67 ALA HA  3.000 . 3.300 2.872 2.830 2.928     .  0 0 "[    .    1    .    2    .    3]" 1 
       1010 1 67 ALA HA  1 71 LEU H   4.000 . 5.000 4.100 3.923 4.281     .  0 0 "[    .    1    .    2    .    3]" 1 
       1011 1 67 ALA H   1 67 ALA MB  2.400 . 3.200 2.190 2.043 2.257     .  0 0 "[    .    1    .    2    .    3]" 1 
       1012 1 67 ALA MB  1 68 GLU H   3.000 . 3.800 2.527 2.346 2.747     .  0 0 "[    .    1    .    2    .    3]" 1 
       1013 1 60 LYS QB  1 67 ALA H   4.000 . 5.000 4.386 3.681 4.523     .  0 0 "[    .    1    .    2    .    3]" 1 
       1014 1 63 THR HB  1 67 ALA H   4.000 . 5.000 4.876 4.483 5.049 0.049 10 0 "[    .    1    .    2    .    3]" 1 
       1015 1 67 ALA H   1 68 GLU H   3.000 . 3.300 2.689 2.500 2.825     .  0 0 "[    .    1    .    2    .    3]" 1 
       1016 1 68 GLU H   1 68 GLU QB  2.400 . 2.700 2.172 2.059 2.334     .  0 0 "[    .    1    .    2    .    3]" 1 
       1017 1 60 LYS HA  1 68 GLU H   4.000 . 5.000 3.844 3.231 4.598     .  0 0 "[    .    1    .    2    .    3]" 1 
       1018 1 60 LYS QG  1 68 GLU H   3.000 . 3.300 2.504 1.809 2.951     .  0 0 "[    .    1    .    2    .    3]" 1 
       1019 1 68 GLU H   1 68 GLU HA  2.400 . 2.700 2.826 2.796 2.877 0.177  7 0 "[    .    1    .    2    .    3]" 1 
       1020 1 69 SER H   1 69 SER QB  2.400 . 2.700 2.189 2.095 2.347     .  0 0 "[    .    1    .    2    .    3]" 1 
       1021 1 34 LEU MD2 1 69 SER H   4.000 . 5.500 4.417 4.044 4.598     .  0 0 "[    .    1    .    2    .    3]" 1 
       1022 1 69 SER H   1 70 VAL H   3.000 . 3.300 2.636 2.550 2.721     .  0 0 "[    .    1    .    2    .    3]" 1 
       1023 1 70 VAL HA  1 70 VAL MG2 3.000 . 3.800 2.335 2.172 2.433     .  0 0 "[    .    1    .    2    .    3]" 1 
       1024 1 70 VAL HB  1 71 LEU MD1 4.000 . 5.500 4.659 4.602 4.700     .  0 0 "[    .    1    .    2    .    3]" 1 
       1025 1 70 VAL HB  1 74 PHE QE  4.000 . 5.000 4.325 4.077 4.581     .  0 0 "[    .    1    .    2    .    3]" 1 
       1026 1 70 VAL HA  1 70 VAL HB  3.000 . 3.300 3.038 3.031 3.043     .  0 0 "[    .    1    .    2    .    3]" 1 
       1027 1 70 VAL HB  1 71 LEU H   3.000 . 3.300 2.808 2.527 3.031     .  0 0 "[    .    1    .    2    .    3]" 1 
       1028 1 70 VAL H   1 70 VAL HB  2.400 . 2.700 2.543 2.436 2.645     .  0 0 "[    .    1    .    2    .    3]" 1 
       1029 1 70 VAL MG1 1 71 LEU HA  4.000 . 5.500 3.439 3.020 3.710     .  0 0 "[    .    1    .    2    .    3]" 1 
       1030 1 70 VAL H   1 70 VAL MG1 4.000 . 5.500 3.792 3.779 3.806     .  0 0 "[    .    1    .    2    .    3]" 1 
       1031 1 70 VAL MG1 1 74 PHE QE  3.000 . 3.800 1.813 1.749 1.923 0.051  6 0 "[    .    1    .    2    .    3]" 1 
       1032 1 70 VAL MG1 1 74 PHE HA  4.000 . 5.500 4.655 4.609 4.694     .  0 0 "[    .    1    .    2    .    3]" 1 
       1033 1  5 ILE MD  1 70 VAL MG1 4.000 . 6.000 3.232 2.976 3.607     .  0 0 "[    .    1    .    2    .    3]" 1 
       1034 1 20 LEU MD2 1 70 VAL MG1 3.000 . 4.300 2.660 2.298 2.987     .  0 0 "[    .    1    .    2    .    3]" 1 
       1035 1 51 LEU MD1 1 70 VAL MG1 3.000 . 4.300 3.079 3.018 3.151     .  0 0 "[    .    1    .    2    .    3]" 1 
       1036 1 37 LEU MD1 1 70 VAL MG1 3.000 . 4.300 1.780 1.633 2.232 0.167  5 0 "[    .    1    .    2    .    3]" 1 
       1037 1 70 VAL MG1 1 71 LEU H   4.000 . 5.500 3.567 3.169 3.789     .  0 0 "[    .    1    .    2    .    3]" 1 
       1038 1 70 VAL H   1 70 VAL MG2 2.400 . 3.200 2.278 2.103 2.495     .  0 0 "[    .    1    .    2    .    3]" 1 
       1039 1 70 VAL MG2 1 71 LEU H   4.000 . 5.500 3.929 3.826 4.032     .  0 0 "[    .    1    .    2    .    3]" 1 
       1040 1 34 LEU MD2 1 70 VAL H   4.000 . 5.500 4.113 3.274 4.496     .  0 0 "[    .    1    .    2    .    3]" 1 
       1041 1 70 VAL H   1 70 VAL HA  2.400 . 2.700 2.805 2.783 2.839 0.139 22 0 "[    .    1    .    2    .    3]" 1 
       1042 1 71 LEU HA  1 71 LEU HG  3.000 . 3.300 3.116 2.949 3.428 0.128 14 0 "[    .    1    .    2    .    3]" 1 
       1043 1 71 LEU HA  1 71 LEU MD1 3.000 . 3.800 1.758 1.661 1.805 0.139 24 0 "[    .    1    .    2    .    3]" 1 
       1044 1 70 VAL H   1 71 LEU HA  4.000 . 5.000 5.195 5.130 5.220 0.220  4 0 "[    .    1    .    2    .    3]" 1 
       1045 1 71 LEU H   1 71 LEU QB  3.000 . 3.300 2.246 2.141 2.310     .  0 0 "[    .    1    .    2    .    3]" 1 
       1046 1 71 LEU QB  1 71 LEU MD2 3.000 . 3.800 2.043 1.859 2.106     .  0 0 "[    .    1    .    2    .    3]" 1 
       1047 1 71 LEU QB  1 72 GLN H   4.000 . 5.000 2.597 2.373 2.969     .  0 0 "[    .    1    .    2    .    3]" 1 
       1048 1 71 LEU MD1 1 86 ILE QG  3.000 . 3.800 1.947 1.738 2.175 0.062 22 0 "[    .    1    .    2    .    3]" 1 
       1049 1 71 LEU H   1 71 LEU MD1 4.000 . 5.500 3.804 3.675 3.926     .  0 0 "[    .    1    .    2    .    3]" 1 
       1050 1 71 LEU QB  1 71 LEU MD1 3.000 . 3.800 2.423 2.338 2.667     .  0 0 "[    .    1    .    2    .    3]" 1 
       1051 1 71 LEU MD1 1 88 LEU MD2 4.000 . 6.000 3.150 1.785 4.123 0.015 15 0 "[    .    1    .    2    .    3]" 1 
       1052 1 71 LEU MD1 1 72 GLN H   4.000 . 5.500 4.379 4.227 4.463     .  0 0 "[    .    1    .    2    .    3]" 1 
       1053 1 71 LEU MD1 1 74 PHE H   4.000 . 5.500 3.717 3.553 3.962     .  0 0 "[    .    1    .    2    .    3]" 1 
       1054 1 71 LEU MD1 1 74 PHE HB2 4.000 . 5.500 2.258 2.061 2.589     .  0 0 "[    .    1    .    2    .    3]" 1 
       1055 1 71 LEU HA  1 71 LEU MD2 4.000 . 5.500 3.471 2.567 3.653     .  0 0 "[    .    1    .    2    .    3]" 1 
       1056 1 68 GLU HA  1 71 LEU MD2 4.000 . 5.500 3.412 3.154 3.839     .  0 0 "[    .    1    .    2    .    3]" 1 
       1057 1 71 LEU H   1 71 LEU MD2 4.000 . 5.500 4.016 2.845 4.311     .  0 0 "[    .    1    .    2    .    3]" 1 
       1058 1 71 LEU MD2 1 75 ARG QD  4.000 . 5.500 3.398 2.827 4.082     .  0 0 "[    .    1    .    2    .    3]" 1 
       1059 1 71 LEU H   1 71 LEU HG  4.000 . 5.000 4.588 4.513 4.728     .  0 0 "[    .    1    .    2    .    3]" 1 
       1060 1 69 SER HA  1 71 LEU H   4.000 . 5.000 3.807 3.651 4.099     .  0 0 "[    .    1    .    2    .    3]" 1 
       1061 1 70 VAL H   1 71 LEU H   2.400 . 2.700 2.578 2.506 2.613     .  0 0 "[    .    1    .    2    .    3]" 1 
       1062 1 53 TRP HZ3 1 71 LEU H   4.000 . 5.000 3.628 3.323 4.275     .  0 0 "[    .    1    .    2    .    3]" 1 
       1063 1 70 VAL HA  1 71 LEU H   4.000 . 5.000 3.460 3.444 3.494     .  0 0 "[    .    1    .    2    .    3]" 1 
       1064 1 72 GLN HA  1 75 ARG HB3 4.000 . 5.000 4.479 4.190 4.788     .  0 0 "[    .    1    .    2    .    3]" 1 
       1065 1 72 GLN HA  1 72 GLN QG  3.000 . 3.300 2.189 1.994 3.134     .  0 0 "[    .    1    .    2    .    3]" 1 
       1066 1 72 GLN HA  1 75 ARG HB2 4.000 . 5.000 3.143 2.981 3.339     .  0 0 "[    .    1    .    2    .    3]" 1 
       1067 1 72 GLN H   1 72 GLN HA  3.000 . 3.300 2.831 2.803 2.878     .  0 0 "[    .    1    .    2    .    3]" 1 
       1068 1 69 SER HA  1 72 GLN QB  4.000 . 5.000 2.306 2.176 2.546     .  0 0 "[    .    1    .    2    .    3]" 1 
       1069 1 72 GLN H   1 72 GLN QB  3.000 . 3.300 2.232 2.049 2.391     .  0 0 "[    .    1    .    2    .    3]" 1 
       1070 1 72 GLN QB  1 73 VAL H   3.000 . 3.300 2.803 2.668 3.127     .  0 0 "[    .    1    .    2    .    3]" 1 
       1071 1 72 GLN QB  1 73 VAL MG2 4.000 . 5.500 3.108 2.915 3.726     .  0 0 "[    .    1    .    2    .    3]" 1 
       1072 1 72 GLN H   1 72 GLN QG  3.000 . 3.300 2.778 2.367 3.030     .  0 0 "[    .    1    .    2    .    3]" 1 
       1073 1 69 SER HA  1 72 GLN H   2.400 . 2.700 2.838 2.788 2.881 0.181  2 0 "[    .    1    .    2    .    3]" 1 
       1074 1 71 LEU MD2 1 72 GLN H   4.000 . 5.500 4.648 4.502 4.773     .  0 0 "[    .    1    .    2    .    3]" 1 
       1075 1 72 GLN H   1 74 PHE H   4.000 . 5.000 4.396 4.264 4.532     .  0 0 "[    .    1    .    2    .    3]" 1 
       1076 1 70 VAL H   1 72 GLN H   4.000 . 5.000 4.228 3.963 4.407     .  0 0 "[    .    1    .    2    .    3]" 1 
       1077 1 73 VAL HA  1 73 VAL HB  3.000 . 3.300 3.025 3.020 3.031     .  0 0 "[    .    1    .    2    .    3]" 1 
       1078 1 73 VAL H   1 73 VAL HB  3.000 . 3.300 2.421 2.349 2.465     .  0 0 "[    .    1    .    2    .    3]" 1 
       1079 1 41 LEU MD1 1 73 VAL HB  3.000 . 3.800 3.226 3.166 3.272     .  0 0 "[    .    1    .    2    .    3]" 1 
       1080 1 73 VAL HB  1 73 VAL MG2 2.400 . 3.200 2.115 2.103 2.145     .  0 0 "[    .    1    .    2    .    3]" 1 
       1081 1 72 GLN H   1 73 VAL HB  4.000 . 5.000 4.814 4.625 4.969     .  0 0 "[    .    1    .    2    .    3]" 1 
       1082 1 70 VAL HA  1 73 VAL HB  4.000 . 5.000 2.908 2.700 3.043     .  0 0 "[    .    1    .    2    .    3]" 1 
       1083 1 37 LEU HG  1 73 VAL MG1 3.000 . 3.800 3.070 2.768 3.221     .  0 0 "[    .    1    .    2    .    3]" 1 
       1084 1 73 VAL HA  1 73 VAL MG1 3.000 . 3.800 2.437 2.377 2.521     .  0 0 "[    .    1    .    2    .    3]" 1 
       1085 1 38 TRP QB  1 73 VAL MG1 3.000 . 3.800 1.742 1.709 1.780 0.091  6 0 "[    .    1    .    2    .    3]" 1 
       1086 1 73 VAL H   1 73 VAL MG1 4.000 . 5.500 3.754 3.732 3.772     .  0 0 "[    .    1    .    2    .    3]" 1 
       1087 1 41 LEU H   1 73 VAL MG1 4.000 . 5.500 4.149 3.872 4.314     .  0 0 "[    .    1    .    2    .    3]" 1 
       1088 1 72 GLN H   1 73 VAL MG2 4.000 . 5.500 4.253 4.093 4.417     .  0 0 "[    .    1    .    2    .    3]" 1 
       1089 1 38 TRP H   1 73 VAL MG2 4.000 . 5.500 2.992 2.342 3.340     .  0 0 "[    .    1    .    2    .    3]" 1 
       1090 1 73 VAL MG2 1 76 GLU H   4.000 . 5.500 4.731 4.699 4.778     .  0 0 "[    .    1    .    2    .    3]" 1 
       1091 1 73 VAL HA  1 73 VAL MG2 3.000 . 3.800 2.223 2.095 2.313     .  0 0 "[    .    1    .    2    .    3]" 1 
       1092 1 73 VAL H   1 73 VAL MG2 2.400 . 3.200 2.467 2.338 2.576     .  0 0 "[    .    1    .    2    .    3]" 1 
       1093 1 70 VAL HA  1 73 VAL MG2 3.000 . 3.800 3.206 3.163 3.251     .  0 0 "[    .    1    .    2    .    3]" 1 
       1094 1 34 LEU HA  1 73 VAL MG2 3.000 . 3.800 2.056 1.677 2.538 0.123 14 0 "[    .    1    .    2    .    3]" 1 
       1095 1 72 GLN HA  1 73 VAL H   3.000 . 3.300 3.460 3.439 3.475 0.175 15 0 "[    .    1    .    2    .    3]" 1 
       1096 1 70 VAL MG1 1 73 VAL H   4.000 . 5.500 4.481 4.288 4.594     .  0 0 "[    .    1    .    2    .    3]" 1 
       1097 1 72 GLN H   1 73 VAL H   2.400 . 2.700 2.629 2.469 2.721 0.021 11 0 "[    .    1    .    2    .    3]" 1 
       1098 1 34 LEU QB  1 73 VAL H   4.000 . 5.000 4.123 3.623 4.524     .  0 0 "[    .    1    .    2    .    3]" 1 
       1099 1 73 VAL H   1 73 VAL HA  3.000 . 3.300 2.929 2.904 2.942     .  0 0 "[    .    1    .    2    .    3]" 1 
       1100 1 73 VAL H   1 74 PHE HB2 4.000 . 5.000 4.292 4.191 4.417     .  0 0 "[    .    1    .    2    .    3]" 1 
       1101 1 69 SER HA  1 73 VAL H   4.000 . 5.000 4.155 4.030 4.276     .  0 0 "[    .    1    .    2    .    3]" 1 
       1102 1 74 PHE HA  1 75 ARG H   4.000 . 5.000 3.535 3.525 3.551     .  0 0 "[    .    1    .    2    .    3]" 1 
       1103 1 74 PHE HB2 1 75 ARG H   3.000 . 3.300 2.530 2.465 2.609     .  0 0 "[    .    1    .    2    .    3]" 1 
       1104 1 71 LEU HA  1 74 PHE HB2 4.000 . 5.000 2.117 1.970 2.402     .  0 0 "[    .    1    .    2    .    3]" 1 
       1105 1 74 PHE HB2 1 86 ILE MD  4.000 . 5.500 3.241 3.184 3.294     .  0 0 "[    .    1    .    2    .    3]" 1 
       1106 1 74 PHE H   1 74 PHE HB2 3.000 . 3.300 2.136 2.119 2.191     .  0 0 "[    .    1    .    2    .    3]" 1 
       1107 1 71 LEU HA  1 74 PHE HB3 4.000 . 5.000 3.639 3.482 3.782     .  0 0 "[    .    1    .    2    .    3]" 1 
       1108 1 74 PHE HB3 1 86 ILE MD  3.000 . 3.800 1.810 1.759 1.852 0.041 21 0 "[    .    1    .    2    .    3]" 1 
       1109 1 74 PHE HB3 1 75 ARG H   4.000 . 5.000 2.829 2.741 2.931     .  0 0 "[    .    1    .    2    .    3]" 1 
       1110 1 74 PHE H   1 74 PHE HB3 3.000 . 3.300 3.448 3.432 3.484 0.184 21 0 "[    .    1    .    2    .    3]" 1 
       1111 1 74 PHE H   1 74 PHE QD  4.000 . 5.000 2.844 2.421 3.262     .  0 0 "[    .    1    .    2    .    3]" 1 
       1112 1 37 LEU MD2 1 74 PHE QD  3.000 . 3.800 2.781 2.359 2.926     .  0 0 "[    .    1    .    2    .    3]" 1 
       1113 1 49 LEU MD2 1 74 PHE QD  4.000 . 5.500 2.487 2.428 2.617     .  0 0 "[    .    1    .    2    .    3]" 1 
       1114 1 74 PHE QD  1 84 ILE MG  3.000 . 3.800 1.909 1.784 2.109 0.016  7 0 "[    .    1    .    2    .    3]" 1 
       1115 1 74 PHE HB2 1 74 PHE QD  3.000 . 3.300 2.347 2.289 2.429     .  0 0 "[    .    1    .    2    .    3]" 1 
       1116 1 74 PHE HA  1 74 PHE QD  3.000 . 3.300 2.641 2.140 2.955     .  0 0 "[    .    1    .    2    .    3]" 1 
       1117 1 71 LEU HA  1 74 PHE QD  4.000 . 5.000 2.978 2.581 3.697     .  0 0 "[    .    1    .    2    .    3]" 1 
       1118 1 70 VAL MG1 1 74 PHE QD  4.000 . 5.500 1.772 1.675 1.938 0.125 24 0 "[    .    1    .    2    .    3]" 1 
       1119 1 74 PHE HB3 1 74 PHE QD  3.000 . 3.300 2.520 2.392 2.685     .  0 0 "[    .    1    .    2    .    3]" 1 
       1120 1 51 LEU HG  1 74 PHE QD  4.000 . 5.000 4.584 4.506 4.641     .  0 0 "[    .    1    .    2    .    3]" 1 
       1121 1 41 LEU MD1 1 74 PHE QD  3.000 . 3.800 2.727 2.492 2.843     .  0 0 "[    .    1    .    2    .    3]" 1 
       1122 1 51 LEU MD2 1 74 PHE QD  4.000 . 5.500 2.550 2.331 2.715     .  0 0 "[    .    1    .    2    .    3]" 1 
       1123 1 73 VAL HB  1 74 PHE QD  4.000 . 5.000 4.010 3.408 4.481     .  0 0 "[    .    1    .    2    .    3]" 1 
       1124 1 51 LEU MD1 1 74 PHE QD  4.000 . 5.500 2.630 2.480 2.778     .  0 0 "[    .    1    .    2    .    3]" 1 
       1125 1 74 PHE QD  1 77 ALA MB  4.000 . 5.500 4.031 3.601 4.180     .  0 0 "[    .    1    .    2    .    3]" 1 
       1126 1 49 LEU HG  1 74 PHE QD  4.000 . 5.000 4.510 4.387 4.563     .  0 0 "[    .    1    .    2    .    3]" 1 
       1127 1 41 LEU MD2 1 74 PHE QE  3.000 . 3.800 2.055 1.682 2.521 0.118 14 0 "[    .    1    .    2    .    3]" 1 
       1128 1 24 LEU MD1 1 74 PHE QE  3.000 . 3.800 2.821 2.639 2.867     .  0 0 "[    .    1    .    2    .    3]" 1 
       1129 1 41 LEU MD1 1 74 PHE QE  4.000 . 5.500 2.749 2.595 2.915     .  0 0 "[    .    1    .    2    .    3]" 1 
       1130 1 51 LEU MD2 1 74 PHE QE  4.000 . 5.500 3.654 3.479 3.800     .  0 0 "[    .    1    .    2    .    3]" 1 
       1131 1 24 LEU MD2 1 74 PHE QE  3.000 . 3.800 2.512 2.132 2.838     .  0 0 "[    .    1    .    2    .    3]" 1 
       1132 1 71 LEU HA  1 74 PHE H   4.000 . 5.000 2.984 2.761 3.362     .  0 0 "[    .    1    .    2    .    3]" 1 
       1133 1 73 VAL HA  1 74 PHE H   4.000 . 5.000 3.585 3.571 3.600     .  0 0 "[    .    1    .    2    .    3]" 1 
       1134 1 73 VAL HB  1 74 PHE H   2.400 . 2.700 2.478 2.226 2.621     .  0 0 "[    .    1    .    2    .    3]" 1 
       1135 1 74 PHE H   1 75 ARG H   2.400 . 2.700 2.796 2.742 2.886 0.186 14 0 "[    .    1    .    2    .    3]" 1 
       1136 1 74 PHE H   1 74 PHE HA  2.400 . 2.700 2.775 2.749 2.797 0.097 26 0 "[    .    1    .    2    .    3]" 1 
       1137 1 73 VAL MG2 1 74 PHE H   4.000 . 5.500 3.860 3.720 3.960     .  0 0 "[    .    1    .    2    .    3]" 1 
       1138 1 70 VAL MG1 1 74 PHE H   4.000 . 5.500 3.517 3.387 3.612     .  0 0 "[    .    1    .    2    .    3]" 1 
       1139 1 51 LEU MD2 1 74 PHE HZ  4.000 . 5.500 4.670 4.607 4.741     .  0 0 "[    .    1    .    2    .    3]" 1 
       1140 1 20 LEU HB3 1 74 PHE HZ  3.000 . 3.300 3.064 2.662 3.316 0.016 18 0 "[    .    1    .    2    .    3]" 1 
       1141 1 51 LEU MD1 1 74 PHE HZ  4.000 . 5.500 2.796 2.711 2.938     .  0 0 "[    .    1    .    2    .    3]" 1 
       1142 1 70 VAL MG1 1 74 PHE HZ  4.000 . 5.500 3.723 3.604 3.851     .  0 0 "[    .    1    .    2    .    3]" 1 
       1143 1 75 ARG HA  1 78 LYS HB2 4.000 . 5.000 4.577 4.293 5.073 0.073  2 0 "[    .    1    .    2    .    3]" 1 
       1144 1 75 ARG HA  1 75 ARG QD  4.000 . 5.000 3.943 2.638 4.141     .  0 0 "[    .    1    .    2    .    3]" 1 
       1145 1 75 ARG HA  1 75 ARG QG  3.000 . 3.300 2.225 2.062 2.479     .  0 0 "[    .    1    .    2    .    3]" 1 
       1146 1 75 ARG HB2 1 76 GLU H   4.000 . 5.000 2.750 2.493 2.996     .  0 0 "[    .    1    .    2    .    3]" 1 
       1147 1 75 ARG HB3 1 76 GLU H   4.000 . 5.000 3.377 3.116 3.639     .  0 0 "[    .    1    .    2    .    3]" 1 
       1148 1 71 LEU HG  1 75 ARG H   4.000 . 5.000 4.200 3.660 5.230 0.230 22 0 "[    .    1    .    2    .    3]" 1 
       1149 1 71 LEU MD1 1 75 ARG H   2.400 . 3.200 2.757 2.550 2.815     .  0 0 "[    .    1    .    2    .    3]" 1 
       1150 1 51 LEU MD2 1 75 ARG H   4.000 . 5.500 4.052 3.915 4.388     .  0 0 "[    .    1    .    2    .    3]" 1 
       1151 1 75 ARG H   1 76 GLU H   2.400 . 2.700 2.741 2.718 2.777 0.077 21 0 "[    .    1    .    2    .    3]" 1 
       1152 1 75 ARG H   1 75 ARG QD  4.000 . 5.000 3.769 3.122 4.472     .  0 0 "[    .    1    .    2    .    3]" 1 
       1153 1 76 GLU HA  1 79 ALA MB  3.000 . 3.800 2.467 2.373 2.526     .  0 0 "[    .    1    .    2    .    3]" 1 
       1154 1 76 GLU HA  1 79 ALA H   4.000 . 5.000 3.683 3.586 4.639     .  0 0 "[    .    1    .    2    .    3]" 1 
       1155 1 76 GLU HA  1 76 GLU QG  3.000 . 3.300 2.288 2.110 2.668     .  0 0 "[    .    1    .    2    .    3]" 1 
       1156 1 76 GLU H   1 76 GLU HA  3.000 . 3.300 2.846 2.817 2.869     .  0 0 "[    .    1    .    2    .    3]" 1 
       1157 1 76 GLU HA  1 77 ALA H   4.000 . 5.000 3.464 3.418 3.516     .  0 0 "[    .    1    .    2    .    3]" 1 
       1158 1 73 VAL H   1 76 GLU QB  4.000 . 5.000 4.288 4.131 4.476     .  0 0 "[    .    1    .    2    .    3]" 1 
       1159 1 73 VAL HA  1 76 GLU QB  3.000 . 3.300 1.865 1.797 2.049 0.003 11 0 "[    .    1    .    2    .    3]" 1 
       1160 1 76 GLU H   1 76 GLU QB  3.000 . 3.300 2.187 2.124 2.336     .  0 0 "[    .    1    .    2    .    3]" 1 
       1161 1 76 GLU QB  1 77 ALA H   3.000 . 3.300 2.907 2.736 2.989     .  0 0 "[    .    1    .    2    .    3]" 1 
       1162 1 76 GLU H   1 77 ALA MB  4.000 . 5.500 4.330 4.245 4.420     .  0 0 "[    .    1    .    2    .    3]" 1 
       1163 1 76 GLU H   1 76 GLU QG  3.000 . 3.300 2.852 2.485 2.989     .  0 0 "[    .    1    .    2    .    3]" 1 
       1164 1 74 PHE H   1 76 GLU H   4.000 . 5.000 3.938 3.857 4.077     .  0 0 "[    .    1    .    2    .    3]" 1 
       1165 1 76 GLU H   1 79 ALA MB  4.000 . 5.500 4.252 4.153 4.313     .  0 0 "[    .    1    .    2    .    3]" 1 
       1166 1 73 VAL HA  1 76 GLU H   3.000 . 3.300 3.093 3.008 3.196     .  0 0 "[    .    1    .    2    .    3]" 1 
       1167 1 38 TRP HZ3 1 76 GLU H   4.000 . 5.000 4.421 4.209 4.531     .  0 0 "[    .    1    .    2    .    3]" 1 
       1168 1 72 GLN HA  1 76 GLU H   4.000 . 5.000 3.969 3.769 4.180     .  0 0 "[    .    1    .    2    .    3]" 1 
       1169 1 77 ALA H   1 77 ALA HA  3.000 . 3.300 2.927 2.920 2.932     .  0 0 "[    .    1    .    2    .    3]" 1 
       1170 1 77 ALA HA  1 78 LYS H   4.000 . 5.000 3.594 3.564 3.608     .  0 0 "[    .    1    .    2    .    3]" 1 
       1171 1 77 ALA HA  1 80 GLU H   4.000 . 5.000 3.846 3.520 4.051     .  0 0 "[    .    1    .    2    .    3]" 1 
       1172 1 77 ALA MB  1 82 ALA MB  4.000 . 6.000 1.705 1.625 1.769 0.175  5 0 "[    .    1    .    2    .    3]" 1 
       1173 1 41 LEU MD1 1 77 ALA MB  3.000 . 4.300 3.026 2.995 3.065     .  0 0 "[    .    1    .    2    .    3]" 1 
       1174 1 77 ALA MB  1 78 LYS H   3.000 . 3.800 2.278 2.065 2.493     .  0 0 "[    .    1    .    2    .    3]" 1 
       1175 1 77 ALA H   1 77 ALA MB  3.000 . 3.800 2.209 2.103 2.276     .  0 0 "[    .    1    .    2    .    3]" 1 
       1176 1 77 ALA MB  1 78 LYS HA  4.000 . 5.500 3.791 3.687 3.886     .  0 0 "[    .    1    .    2    .    3]" 1 
       1177 1 74 PHE H   1 77 ALA H   4.000 . 5.000 4.689 4.566 4.800     .  0 0 "[    .    1    .    2    .    3]" 1 
       1178 1 77 ALA H   1 78 LYS H   3.000 . 3.300 2.605 2.467 2.813     .  0 0 "[    .    1    .    2    .    3]" 1 
       1179 1 38 TRP HZ3 1 77 ALA H   2.400 . 2.700 2.691 2.543 2.743 0.043 29 0 "[    .    1    .    2    .    3]" 1 
       1180 1 76 GLU H   1 77 ALA H   2.400 . 2.700 2.675 2.592 2.751 0.051 13 0 "[    .    1    .    2    .    3]" 1 
       1181 1 41 LEU MD1 1 77 ALA H   4.000 . 5.500 4.406 4.222 4.595     .  0 0 "[    .    1    .    2    .    3]" 1 
       1182 1 73 VAL MG1 1 77 ALA H   4.000 . 5.500 4.013 3.902 4.202     .  0 0 "[    .    1    .    2    .    3]" 1 
       1183 1 77 ALA H   1 84 ILE MD  4.000 . 5.500 3.787 3.595 3.922     .  0 0 "[    .    1    .    2    .    3]" 1 
       1184 1 75 ARG HB3 1 77 ALA H   4.000 . 5.000 5.005 4.799 5.084 0.084  6 0 "[    .    1    .    2    .    3]" 1 
       1185 1 73 VAL HA  1 77 ALA H   4.000 . 5.000 4.123 4.020 4.229     .  0 0 "[    .    1    .    2    .    3]" 1 
       1186 1 76 GLU QG  1 77 ALA H   4.000 . 5.000 4.437 4.256 4.473     .  0 0 "[    .    1    .    2    .    3]" 1 
       1187 1 78 LYS H   1 78 LYS HB2 3.000 . 3.300 3.463 3.063 3.559 0.259 16 0 "[    .    1    .    2    .    3]" 1 
       1188 1 78 LYS HA  1 78 LYS HB2 3.000 . 3.300 2.344 2.241 2.550     .  0 0 "[    .    1    .    2    .    3]" 1 
       1189 1 78 LYS HB3 1 78 LYS QE  4.000 . 5.000 2.870 2.535 3.287     .  0 0 "[    .    1    .    2    .    3]" 1 
       1190 1 75 ARG HA  1 78 LYS HB3 4.000 . 5.000 3.430 2.931 4.236     .  0 0 "[    .    1    .    2    .    3]" 1 
       1191 1 78 LYS H   1 78 LYS HB3 3.000 . 3.300 2.272 2.085 2.749     .  0 0 "[    .    1    .    2    .    3]" 1 
       1192 1 78 LYS H   1 84 ILE HB  4.000 . 5.000 3.037 2.644 3.262     .  0 0 "[    .    1    .    2    .    3]" 1 
       1193 1 78 LYS H   1 84 ILE MD  3.000 . 3.800 2.802 2.156 3.142     .  0 0 "[    .    1    .    2    .    3]" 1 
       1194 1 78 LYS H   1 84 ILE MG  4.000 . 5.500 4.144 3.851 4.342     .  0 0 "[    .    1    .    2    .    3]" 1 
       1195 1 79 ALA HA  1 79 ALA MB  2.400 . 3.200 2.128 2.118 2.154     .  0 0 "[    .    1    .    2    .    3]" 1 
       1196 1 78 LYS QG  1 79 ALA HA  4.000 . 5.000 3.573 3.301 4.311     .  0 0 "[    .    1    .    2    .    3]" 1 
       1197 1 79 ALA H   1 79 ALA HA  3.000 . 3.300 2.954 2.934 2.971     .  0 0 "[    .    1    .    2    .    3]" 1 
       1198 1 79 ALA H   1 79 ALA MB  2.400 . 3.200 2.232 2.145 2.710     .  0 0 "[    .    1    .    2    .    3]" 1 
       1199 1 76 GLU QB  1 79 ALA MB  4.000 . 5.500 4.120 4.103 4.132     .  0 0 "[    .    1    .    2    .    3]" 1 
       1200 1 79 ALA MB  1 80 GLU H   3.000 . 3.800 1.829 1.786 2.224 0.014  2 0 "[    .    1    .    2    .    3]" 1 
       1201 1 79 ALA MB  1 80 GLU QG  4.000 . 5.500 2.454 2.223 2.637     .  0 0 "[    .    1    .    2    .    3]" 1 
       1202 1 78 LYS HB2 1 79 ALA H   4.000 . 5.000 4.324 4.056 4.620     .  0 0 "[    .    1    .    2    .    3]" 1 
       1203 1 79 ALA H   1 80 GLU H   2.400 . 2.700 2.639 1.872 2.720 0.020 17 0 "[    .    1    .    2    .    3]" 1 
       1204 1 78 LYS QD  1 79 ALA H   4.000 . 5.000 3.635 2.272 4.482     .  0 0 "[    .    1    .    2    .    3]" 1 
       1205 1 79 ALA H   1 80 GLU QG  4.000 . 5.000 4.016 3.678 4.145     .  0 0 "[    .    1    .    2    .    3]" 1 
       1206 1 77 ALA MB  1 79 ALA H   4.000 . 5.500 3.973 3.867 4.237     .  0 0 "[    .    1    .    2    .    3]" 1 
       1207 1 80 GLU H   1 80 GLU HA  3.000 . 3.300 2.773 2.740 2.924     .  0 0 "[    .    1    .    2    .    3]" 1 
       1208 1 80 GLU HA  1 80 GLU HB2 3.000 . 3.300 3.027 3.021 3.031     .  0 0 "[    .    1    .    2    .    3]" 1 
       1209 1 80 GLU HA  1 80 GLU QG  3.000 . 3.300 2.557 2.407 2.689     .  0 0 "[    .    1    .    2    .    3]" 1 
       1210 1 80 GLU HA  1 81 GLY QA  4.000 . 5.000 4.235 4.226 4.254     .  0 0 "[    .    1    .    2    .    3]" 1 
       1211 1 80 GLU H   1 80 GLU HB2 2.400 . 2.700 2.699 2.579 2.750 0.050  5 0 "[    .    1    .    2    .    3]" 1 
       1212 1 79 ALA MB  1 80 GLU HB3 4.000 . 5.500 4.743 4.712 4.785     .  0 0 "[    .    1    .    2    .    3]" 1 
       1213 1 80 GLU H   1 80 GLU HB3 4.000 . 5.000 3.567 3.553 3.594     .  0 0 "[    .    1    .    2    .    3]" 1 
       1214 1 80 GLU HA  1 80 GLU HB3 2.400 . 2.700 2.403 2.379 2.424     .  0 0 "[    .    1    .    2    .    3]" 1 
       1215 1 77 ALA HA  1 80 GLU HB3 4.000 . 5.000 5.004 4.858 5.083 0.083 13 0 "[    .    1    .    2    .    3]" 1 
       1216 1 80 GLU H   1 80 GLU QG  3.000 . 3.300 1.834 1.815 2.031     .  0 0 "[    .    1    .    2    .    3]" 1 
       1217 1 81 GLY QA  1 82 ALA H   3.000 . 3.300 2.775 2.731 2.801     .  0 0 "[    .    1    .    2    .    3]" 1 
       1218 1 77 ALA HA  1 81 GLY H   3.000 . 3.300 3.422 3.363 3.494 0.194 26 0 "[    .    1    .    2    .    3]" 1 
       1219 1 80 GLU HB2 1 81 GLY H   4.000 . 5.000 2.175 2.002 2.364     .  0 0 "[    .    1    .    2    .    3]" 1 
       1220 1 80 GLU QG  1 81 GLY H   4.000 . 5.000 3.748 3.623 3.843     .  0 0 "[    .    1    .    2    .    3]" 1 
       1221 1 80 GLU HA  1 81 GLY H   4.000 . 5.000 3.614 3.595 3.621     .  0 0 "[    .    1    .    2    .    3]" 1 
       1222 1 47 TYR QE  1 82 ALA HA  4.000 . 5.000 3.311 2.885 3.909     .  0 0 "[    .    1    .    2    .    3]" 1 
       1223 1 82 ALA HA  1 84 ILE MD  4.000 . 5.500 3.877 3.727 4.147     .  0 0 "[    .    1    .    2    .    3]" 1 
       1224 1 82 ALA HA  1 83 ASP QB  4.000 . 5.000 4.163 3.962 4.420     .  0 0 "[    .    1    .    2    .    3]" 1 
       1225 1 82 ALA HA  1 83 ASP H   3.000 . 3.300 2.316 2.275 2.381     .  0 0 "[    .    1    .    2    .    3]" 1 
       1226 1 82 ALA HA  1 82 ALA MB  2.400 . 3.200 2.109 2.102 2.117     .  0 0 "[    .    1    .    2    .    3]" 1 
       1227 1 82 ALA HA  1 83 ASP HA  4.000 . 5.000 4.451 4.439 4.473     .  0 0 "[    .    1    .    2    .    3]" 1 
       1228 1 82 ALA MB  1 84 ILE HB  3.000 . 3.800 3.209 3.193 3.245     .  0 0 "[    .    1    .    2    .    3]" 1 
       1229 1 82 ALA MB  1 84 ILE MD  3.000 . 4.300 1.696 1.632 1.775 0.168 19 0 "[    .    1    .    2    .    3]" 1 
       1230 1 78 LYS HA  1 82 ALA MB  3.000 . 3.800 2.688 2.349 3.096     .  0 0 "[    .    1    .    2    .    3]" 1 
       1231 1 82 ALA H   1 82 ALA MB  2.400 . 3.200 2.079 2.057 2.103     .  0 0 "[    .    1    .    2    .    3]" 1 
       1232 1 82 ALA MB  1 83 ASP H   3.000 . 3.800 2.770 2.623 2.875     .  0 0 "[    .    1    .    2    .    3]" 1 
       1233 1 82 ALA H   1 82 ALA HA  2.400 . 2.700 2.733 2.724 2.750 0.050 13 0 "[    .    1    .    2    .    3]" 1 
       1234 1 82 ALA H   1 84 ILE MD  4.000 . 5.500 4.516 4.308 4.606     .  0 0 "[    .    1    .    2    .    3]" 1 
       1235 1 77 ALA MB  1 82 ALA H   4.000 . 5.500 3.703 3.573 3.827     .  0 0 "[    .    1    .    2    .    3]" 1 
       1236 1 80 GLU HB3 1 82 ALA H   4.000 . 5.000 4.800 4.636 5.004 0.004 13 0 "[    .    1    .    2    .    3]" 1 
       1237 1 77 ALA HA  1 82 ALA H   4.000 . 5.000 3.229 3.011 3.372     .  0 0 "[    .    1    .    2    .    3]" 1 
       1238 1 83 ASP HA  1 84 ILE H   3.000 . 3.300 2.597 2.547 2.661     .  0 0 "[    .    1    .    2    .    3]" 1 
       1239 1 83 ASP H   1 83 ASP QB  3.000 . 3.300 2.347 2.269 2.489     .  0 0 "[    .    1    .    2    .    3]" 1 
       1240 1 49 LEU H   1 83 ASP QB  4.000 . 5.000 3.587 3.364 3.765     .  0 0 "[    .    1    .    2    .    3]" 1 
       1241 1 48 PRO QG  1 83 ASP QB  4.000 . 5.000 3.889 3.546 3.995     .  0 0 "[    .    1    .    2    .    3]" 1 
       1242 1 83 ASP H   1 84 ILE HB  4.000 . 5.000 5.025 4.942 5.062 0.062 24 0 "[    .    1    .    2    .    3]" 1 
       1243 1 48 PRO HA  1 83 ASP H   4.000 . 5.000 3.820 3.322 4.115     .  0 0 "[    .    1    .    2    .    3]" 1 
       1244 1 83 ASP H   1 84 ILE MD  4.000 . 5.500 3.720 3.552 3.980     .  0 0 "[    .    1    .    2    .    3]" 1 
       1245 1 82 ALA H   1 83 ASP H   4.000 . 5.000 4.678 4.669 4.693     .  0 0 "[    .    1    .    2    .    3]" 1 
       1246 1 47 TYR HB3 1 83 ASP H   3.000 . 3.300 2.525 2.150 2.796     .  0 0 "[    .    1    .    2    .    3]" 1 
       1247 1 84 ILE HA  1 84 ILE MG  3.000 . 3.800 2.470 2.438 2.522     .  0 0 "[    .    1    .    2    .    3]" 1 
       1248 1 84 ILE HA  1 84 ILE QG  3.000 . 3.300 2.337 2.273 2.390     .  0 0 "[    .    1    .    2    .    3]" 1 
       1249 1 84 ILE HA  1 85 THR H   3.000 . 3.300 2.310 2.189 2.373     .  0 0 "[    .    1    .    2    .    3]" 1 
       1250 1 84 ILE HA  1 84 ILE HB  3.000 . 3.300 3.028 3.020 3.032     .  0 0 "[    .    1    .    2    .    3]" 1 
       1251 1 47 TYR QE  1 84 ILE HA  4.000 . 5.000 4.444 4.203 4.540     .  0 0 "[    .    1    .    2    .    3]" 1 
       1252 1 49 LEU HA  1 84 ILE HA  4.000 . 5.000 4.350 4.179 4.522     .  0 0 "[    .    1    .    2    .    3]" 1 
       1253 1 78 LYS QE  1 84 ILE HB  4.000 . 5.000 4.393 3.663 4.489     .  0 0 "[    .    1    .    2    .    3]" 1 
       1254 1 74 PHE HA  1 84 ILE HB  4.000 . 5.000 4.739 4.442 4.957     .  0 0 "[    .    1    .    2    .    3]" 1 
       1255 1 78 LYS HA  1 84 ILE HB  4.000 . 5.000 3.415 3.214 3.623     .  0 0 "[    .    1    .    2    .    3]" 1 
       1256 1 74 PHE HB3 1 84 ILE HB  4.000 . 5.000 4.834 4.599 5.029 0.029 14 0 "[    .    1    .    2    .    3]" 1 
       1257 1 78 LYS HB3 1 84 ILE HB  4.000 . 5.000 2.171 1.880 2.440     .  0 0 "[    .    1    .    2    .    3]" 1 
       1258 1 84 ILE H   1 84 ILE HB  2.400 . 2.700 2.416 2.316 2.489     .  0 0 "[    .    1    .    2    .    3]" 1 
       1259 1 84 ILE HB  1 85 THR H   4.000 . 5.000 3.936 3.738 4.430     .  0 0 "[    .    1    .    2    .    3]" 1 
       1260 1 74 PHE HA  1 84 ILE MD  3.000 . 3.800 3.044 2.765 3.213     .  0 0 "[    .    1    .    2    .    3]" 1 
       1261 1 74 PHE HB3 1 84 ILE MD  4.000 . 5.500 4.234 3.938 4.537     .  0 0 "[    .    1    .    2    .    3]" 1 
       1262 1 74 PHE QE  1 84 ILE MD  4.000 . 5.500 3.862 3.546 4.133     .  0 0 "[    .    1    .    2    .    3]" 1 
       1263 1 49 LEU HB2 1 84 ILE MD  4.000 . 5.500 4.507 4.363 4.612     .  0 0 "[    .    1    .    2    .    3]" 1 
       1264 1 84 ILE HA  1 84 ILE MD  4.000 . 5.500 3.778 3.741 3.818     .  0 0 "[    .    1    .    2    .    3]" 1 
       1265 1 41 LEU MD1 1 84 ILE MD  4.000 . 6.000 3.239 2.973 3.500     .  0 0 "[    .    1    .    2    .    3]" 1 
       1266 1 84 ILE H   1 84 ILE MD  3.000 . 3.800 3.103 2.896 3.217     .  0 0 "[    .    1    .    2    .    3]" 1 
       1267 1 84 ILE HB  1 84 ILE MD  2.400 . 3.200 2.021 1.900 2.168     .  0 0 "[    .    1    .    2    .    3]" 1 
       1268 1 78 LYS HA  1 84 ILE MD  4.000 . 5.500 3.618 3.152 3.985     .  0 0 "[    .    1    .    2    .    3]" 1 
       1269 1 51 LEU MD2 1 84 ILE MG  4.000 . 6.000 3.373 3.172 3.521     .  0 0 "[    .    1    .    2    .    3]" 1 
       1270 1 74 PHE HB3 1 84 ILE MG  3.000 . 3.800 3.165 2.913 3.214     .  0 0 "[    .    1    .    2    .    3]" 1 
       1271 1 49 LEU HB2 1 84 ILE MG  4.000 . 5.500 3.971 3.801 4.115     .  0 0 "[    .    1    .    2    .    3]" 1 
       1272 1 84 ILE HB  1 84 ILE MG  2.400 . 3.200 2.148 2.139 2.156     .  0 0 "[    .    1    .    2    .    3]" 1 
       1273 1 49 LEU HB3 1 84 ILE MG  3.000 . 3.800 2.689 2.547 2.789     .  0 0 "[    .    1    .    2    .    3]" 1 
       1274 1 74 PHE HB2 1 84 ILE MG  4.000 . 5.500 4.611 4.360 4.644     .  0 0 "[    .    1    .    2    .    3]" 1 
       1275 1 74 PHE HA  1 84 ILE MG  4.000 . 5.500 3.700 3.434 3.875     .  0 0 "[    .    1    .    2    .    3]" 1 
       1276 1 84 ILE H   1 84 ILE MG  4.000 . 5.500 3.765 3.718 3.802     .  0 0 "[    .    1    .    2    .    3]" 1 
       1277 1 74 PHE QE  1 84 ILE MG  4.000 . 5.500 3.255 3.055 3.457     .  0 0 "[    .    1    .    2    .    3]" 1 
       1278 1 84 ILE MG  1 85 THR H   3.000 . 3.800 2.116 1.877 3.069     .  0 0 "[    .    1    .    2    .    3]" 1 
       1279 1 50 VAL HA  1 84 ILE MG  4.000 . 5.500 3.585 3.420 3.816     .  0 0 "[    .    1    .    2    .    3]" 1 
       1280 1 78 LYS HB3 1 84 ILE H   3.000 . 3.300 3.042 2.365 3.373 0.073  9 0 "[    .    1    .    2    .    3]" 1 
       1281 1 84 ILE H   1 84 ILE QG  3.000 . 3.300 2.751 2.617 2.906     .  0 0 "[    .    1    .    2    .    3]" 1 
       1282 1 83 ASP QB  1 84 ILE H   4.000 . 5.000 3.920 3.897 3.979     .  0 0 "[    .    1    .    2    .    3]" 1 
       1283 1 84 ILE HA  1 85 THR HA  4.000 . 5.000 4.458 4.435 4.496     .  0 0 "[    .    1    .    2    .    3]" 1 
       1284 1 85 THR H   1 85 THR MG  4.000 . 5.500 3.778 2.134 3.905     .  0 0 "[    .    1    .    2    .    3]" 1 
       1285 1 51 LEU H   1 85 THR MG  4.000 . 5.500 4.280 3.895 4.579     .  0 0 "[    .    1    .    2    .    3]" 1 
       1286 1 50 VAL HA  1 85 THR MG  4.000 . 5.500 3.797 2.585 4.133     .  0 0 "[    .    1    .    2    .    3]" 1 
       1287 1 85 THR H   1 85 THR HB  4.000 . 5.000 2.801 2.379 3.784     .  0 0 "[    .    1    .    2    .    3]" 1 
       1288 1 51 LEU MD2 1 86 ILE MD  3.000 . 4.300 1.761 1.705 1.823 0.095 23 0 "[    .    1    .    2    .    3]" 1 
       1289 1 51 LEU MD1 1 86 ILE MD  3.000 . 4.300 3.101 3.054 3.152     .  0 0 "[    .    1    .    2    .    3]" 1 
       1290 1 75 ARG HA  1 86 ILE MD  3.000 . 3.800 3.170 3.060 3.235     .  0 0 "[    .    1    .    2    .    3]" 1 
       1291 1 78 LYS QG  1 86 ILE MD  4.000 . 5.500 3.310 2.273 4.096     .  0 0 "[    .    1    .    2    .    3]" 1 
       1292 1 74 PHE H   1 86 ILE MD  4.000 . 5.500 4.620 4.600 4.647     .  0 0 "[    .    1    .    2    .    3]" 1 
       1293 1 75 ARG QG  1 86 ILE MD  4.000 . 5.500 3.414 3.128 3.629     .  0 0 "[    .    1    .    2    .    3]" 1 
       1294 1 86 ILE MG  1 88 LEU QB  4.000 . 5.500 3.484 2.558 4.096     .  0 0 "[    .    1    .    2    .    3]" 1 
       1295 1 51 LEU MD2 1 86 ILE MG  3.000 . 4.300 2.913 2.778 3.022     .  0 0 "[    .    1    .    2    .    3]" 1 
       1296 1 86 ILE MG  1 88 LEU MD1 3.000 . 4.300 2.137 1.753 2.624 0.047 15 0 "[    .    1    .    2    .    3]" 1 
       1297 1 86 ILE MG  1 88 LEU MD2 4.000 . 6.000 3.547 2.229 4.156     .  0 0 "[    .    1    .    2    .    3]" 1 
       1298 1 86 ILE QG  1 86 ILE MG  3.000 . 3.800 2.083 2.049 2.103     .  0 0 "[    .    1    .    2    .    3]" 1 
       1299 1 86 ILE MG  1 87 ILE H   4.000 . 5.500 3.190 2.766 3.483     .  0 0 "[    .    1    .    2    .    3]" 1 
       1300 1 86 ILE HA  1 86 ILE MG  3.000 . 3.800 2.775 2.695 2.916     .  0 0 "[    .    1    .    2    .    3]" 1 
       1301 1 87 ILE HB  1 87 ILE MD  3.000 . 3.800 2.579 1.896 3.192     .  0 0 "[    .    1    .    2    .    3]" 1 
       1302 1 86 ILE HA  1 87 ILE HB  4.000 . 5.000 4.718 4.463 5.008 0.008 20 0 "[    .    1    .    2    .    3]" 1 
       1303 1 87 ILE H   1 87 ILE HB  3.000 . 3.300 2.589 2.351 2.862     .  0 0 "[    .    1    .    2    .    3]" 1 
       1304 1 52 GLU HB3 1 87 ILE HB  4.000 . 5.000 4.799 4.714 4.943     .  0 0 "[    .    1    .    2    .    3]" 1 
       1305 1 87 ILE H   1 87 ILE MD  4.000 . 5.500 3.288 1.816 3.916     .  0 0 "[    .    1    .    2    .    3]" 1 
       1306 1 87 ILE HA  1 87 ILE MD  4.000 . 5.500 3.041 1.889 3.860     .  0 0 "[    .    1    .    2    .    3]" 1 
       1307 1 87 ILE QG  1 87 ILE MG  3.000 . 3.800 2.242 2.019 2.445     .  0 0 "[    .    1    .    2    .    3]" 1 
       1308 1 52 GLU QB  1 87 ILE MG  4.000 . 5.500 4.041 3.938 4.102     .  0 0 "[    .    1    .    2    .    3]" 1 
       1309 1 87 ILE MG  1 89 SER QB  4.000 . 5.500 3.335 2.312 4.089     .  0 0 "[    .    1    .    2    .    3]" 1 
       1310 1 52 GLU QG  1 87 ILE MG  4.000 . 5.500 3.194 2.722 4.015     .  0 0 "[    .    1    .    2    .    3]" 1 
       1311 1 87 ILE H   1 87 ILE MG  4.000 . 5.500 3.805 3.733 3.887     .  0 0 "[    .    1    .    2    .    3]" 1 
       1312 1 86 ILE HA  1 87 ILE H   4.000 . 5.000 2.178 2.136 2.246     .  0 0 "[    .    1    .    2    .    3]" 1 
       1313 1 51 LEU HB3 1 87 ILE H   2.400 . 2.700 2.824 2.771 2.883 0.183 15 0 "[    .    1    .    2    .    3]" 1 
       1314 1 88 LEU HA  1 88 LEU MD2 3.000 . 3.800 2.329 1.841 3.172     .  0 0 "[    .    1    .    2    .    3]" 1 
       1315 1 88 LEU HA  1 88 LEU MD1 4.000 . 5.500 3.731 3.398 3.952     .  0 0 "[    .    1    .    2    .    3]" 1 
       1316 1 53 TRP QB  1 88 LEU HA  4.000 . 5.000 2.499 1.843 3.416     .  0 0 "[    .    1    .    2    .    3]" 1 
       1317 1 88 LEU HA  1 89 SER QB  4.000 . 5.000 4.282 3.696 4.457     .  0 0 "[    .    1    .    2    .    3]" 1 
       1318 1 88 LEU HA  1 88 LEU HG  3.000 . 3.300 2.554 2.031 3.306 0.006 15 0 "[    .    1    .    2    .    3]" 1 
       1319 1 86 ILE QG  1 88 LEU MD1 4.000 . 5.500 3.769 3.260 4.085     .  0 0 "[    .    1    .    2    .    3]" 1 
       1320 1 71 LEU MD1 1 88 LEU MD1 3.000 . 4.300 2.710 1.843 2.994     .  0 0 "[    .    1    .    2    .    3]" 1 
       1321 1 88 LEU QB  1 88 LEU MD1 3.000 . 3.800 2.024 1.895 2.106     .  0 0 "[    .    1    .    2    .    3]" 1 
       1322 1 53 TRP QB  1 88 LEU MD2 3.000 . 3.800 2.478 1.711 2.831 0.089 15 0 "[    .    1    .    2    .    3]" 1 
       1323 1 88 LEU QB  1 88 LEU MD2 3.000 . 3.800 2.105 1.860 2.340     .  0 0 "[    .    1    .    2    .    3]" 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              50
    _Distance_constraint_stats_list.Viol_count                    808
    _Distance_constraint_stats_list.Viol_total                    1361.768
    _Distance_constraint_stats_list.Viol_max                      0.152
    _Distance_constraint_stats_list.Viol_rms                      0.0357
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0303
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0562
    _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  1 LYS 2.418 0.106 30 0 "[    .    1    .    2    .    3]" 
       1  3 ALA 5.364 0.138 19 0 "[    .    1    .    2    .    3]" 
       1  5 ILE 3.339 0.104 27 0 "[    .    1    .    2    .    3]" 
       1 15 ASP 2.453 0.113 20 0 "[    .    1    .    2    .    3]" 
       1 16 LEU 2.582 0.152 20 0 "[    .    1    .    2    .    3]" 
       1 17 HIS 1.651 0.071 22 0 "[    .    1    .    2    .    3]" 
       1 18 GLN 2.141 0.086 29 0 "[    .    1    .    2    .    3]" 
       1 19 THR 4.353 0.113 20 0 "[    .    1    .    2    .    3]" 
       1 20 LEU 3.536 0.152 20 0 "[    .    1    .    2    .    3]" 
       1 21 LYS 1.651 0.071 22 0 "[    .    1    .    2    .    3]" 
       1 22 LYS 2.141 0.086 29 0 "[    .    1    .    2    .    3]" 
       1 23 GLU 1.900 0.086  9 0 "[    .    1    .    2    .    3]" 
       1 24 LEU 0.953 0.048 20 0 "[    .    1    .    2    .    3]" 
       1 35 ASP 0.859 0.049 11 0 "[    .    1    .    2    .    3]" 
       1 36 ALA 1.842 0.079 12 0 "[    .    1    .    2    .    3]" 
       1 37 LEU 0.010 0.007 17 0 "[    .    1    .    2    .    3]" 
       1 39 ASP 0.859 0.049 11 0 "[    .    1    .    2    .    3]" 
       1 40 ALA 1.842 0.079 12 0 "[    .    1    .    2    .    3]" 
       1 41 LEU 0.010 0.007 17 0 "[    .    1    .    2    .    3]" 
       1 49 LEU 3.311 0.102 30 0 "[    .    1    .    2    .    3]" 
       1 50 VAL 5.249 0.138 19 0 "[    .    1    .    2    .    3]" 
       1 51 LEU 4.974 0.117 25 0 "[    .    1    .    2    .    3]" 
       1 52 GLU 3.930 0.101 20 0 "[    .    1    .    2    .    3]" 
       1 54 ARG 1.943 0.104 27 0 "[    .    1    .    2    .    3]" 
       1 68 GLU 2.054 0.078  9 0 "[    .    1    .    2    .    3]" 
       1 69 SER 2.689 0.128 19 0 "[    .    1    .    2    .    3]" 
       1 70 VAL 0.000 0.000  . 0 "[    .    1    .    2    .    3]" 
       1 71 LEU 0.000 0.000  . 0 "[    .    1    .    2    .    3]" 
       1 72 GLN 5.662 0.150  2 0 "[    .    1    .    2    .    3]" 
       1 73 VAL 3.303 0.128 19 0 "[    .    1    .    2    .    3]" 
       1 74 PHE 2.628 0.098  2 0 "[    .    1    .    2    .    3]" 
       1 75 ARG 0.000 0.000  . 0 "[    .    1    .    2    .    3]" 
       1 76 GLU 3.608 0.150  2 0 "[    .    1    .    2    .    3]" 
       1 77 ALA 0.614 0.049 11 0 "[    .    1    .    2    .    3]" 
       1 78 LYS 2.628 0.098  2 0 "[    .    1    .    2    .    3]" 
       1 83 ASP 2.301 0.102 30 0 "[    .    1    .    2    .    3]" 
       1 85 THR 3.648 0.117 25 0 "[    .    1    .    2    .    3]" 
       1 87 ILE 2.336 0.080  9 0 "[    .    1    .    2    .    3]" 
    stop_

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

        1 1  3 ALA N 1 50 VAL O 2.800 2.700 3.000 2.660 2.562 2.794 0.138 19 0 "[    .    1    .    2    .    3]" 2 
        2 1  3 ALA H 1 50 VAL O 1.900     . 2.000 2.049 2.011 2.078 0.078 19 0 "[    .    1    .    2    .    3]" 2 
        3 1  5 ILE N 1 52 GLU O 2.800 2.700 3.000 2.962 2.882 3.023 0.023 15 0 "[    .    1    .    2    .    3]" 2 
        4 1  5 ILE H 1 52 GLU O 1.900     . 2.000 2.045 2.026 2.078 0.078 10 0 "[    .    1    .    2    .    3]" 2 
        5 1 15 ASP O 1 19 THR N 2.800 2.700 3.000 2.881 2.822 3.009 0.009  5 0 "[    .    1    .    2    .    3]" 2 
        6 1 15 ASP O 1 19 THR H 1.900     . 2.000 2.081 2.058 2.113 0.113 20 0 "[    .    1    .    2    .    3]" 2 
        7 1 16 LEU O 1 20 LEU N 2.800 2.700 3.000 2.991 2.950 3.025 0.025 27 0 "[    .    1    .    2    .    3]" 2 
        8 1 16 LEU O 1 20 LEU H 1.900     . 2.000 2.083 2.042 2.152 0.152 20 0 "[    .    1    .    2    .    3]" 2 
        9 1 17 HIS O 1 21 LYS N 2.800 2.700 3.000 2.863 2.779 2.920     .  0 0 "[    .    1    .    2    .    3]" 2 
       10 1 17 HIS O 1 21 LYS H 1.900     . 2.000 2.055 2.013 2.071 0.071 22 0 "[    .    1    .    2    .    3]" 2 
       11 1 18 GLN O 1 22 LYS N 2.800 2.700 3.000 2.726 2.673 2.806 0.027 16 0 "[    .    1    .    2    .    3]" 2 
       12 1 18 GLN O 1 22 LYS H 1.900     . 2.000 2.067 2.053 2.086 0.086 29 0 "[    .    1    .    2    .    3]" 2 
       13 1 19 THR O 1 23 GLU N 2.800 2.700 3.000 2.989 2.927 3.022 0.022  8 0 "[    .    1    .    2    .    3]" 2 
       14 1 19 THR O 1 23 GLU H 1.900     . 2.000 2.059 2.022 2.086 0.086  9 0 "[    .    1    .    2    .    3]" 2 
       15 1 20 LEU O 1 24 LEU N 2.800 2.700 3.000 2.833 2.739 2.931     .  0 0 "[    .    1    .    2    .    3]" 2 
       16 1 20 LEU O 1 24 LEU H 1.900     . 2.000 2.032 2.011 2.048 0.048 20 0 "[    .    1    .    2    .    3]" 2 
       17 1 35 ASP O 1 39 ASP N 2.800 2.700 3.000 2.865 2.824 2.897     .  0 0 "[    .    1    .    2    .    3]" 2 
       18 1 35 ASP O 1 39 ASP H 1.900     . 2.000 2.029 2.013 2.049 0.049 11 0 "[    .    1    .    2    .    3]" 2 
       19 1 36 ALA O 1 40 ALA N 2.800 2.700 3.000 2.766 2.707 2.818     .  0 0 "[    .    1    .    2    .    3]" 2 
       20 1 36 ALA O 1 40 ALA H 1.900     . 2.000 2.061 2.036 2.079 0.079 12 0 "[    .    1    .    2    .    3]" 2 
       21 1 37 LEU O 1 41 LEU N 2.800 2.700 3.000 2.756 2.693 2.813 0.007 17 0 "[    .    1    .    2    .    3]" 2 
       22 1 37 LEU O 1 41 LEU H 1.900     . 2.000 1.940 1.894 1.985     .  0 0 "[    .    1    .    2    .    3]" 2 
       23 1 49 LEU N 1 83 ASP O 2.800 2.700 3.000 2.924 2.835 2.976     .  0 0 "[    .    1    .    2    .    3]" 2 
       24 1 49 LEU H 1 83 ASP O 1.900     . 2.000 2.077 2.067 2.102 0.102 30 0 "[    .    1    .    2    .    3]" 2 
       25 1 51 LEU N 1 85 THR O 2.800 2.700 3.000 2.812 2.697 2.978 0.003 24 0 "[    .    1    .    2    .    3]" 2 
       26 1 51 LEU H 1 85 THR O 1.900     . 2.000 2.088 2.073 2.117 0.117 25 0 "[    .    1    .    2    .    3]" 2 
       27 1  1 LYS O 1 50 VAL N 2.800 2.700 3.000 2.820 2.677 2.993 0.023 28 0 "[    .    1    .    2    .    3]" 2 
       28 1  1 LYS O 1 50 VAL H 1.900     . 2.000 2.079 2.061 2.106 0.106 30 0 "[    .    1    .    2    .    3]" 2 
       29 1  3 ALA O 1 52 GLU N 2.800 2.700 3.000 2.798 2.711 2.868     .  0 0 "[    .    1    .    2    .    3]" 2 
       30 1  3 ALA O 1 52 GLU H 1.900     . 2.000 2.084 2.063 2.101 0.101 20 0 "[    .    1    .    2    .    3]" 2 
       31 1  5 ILE O 1 54 ARG N 2.800 2.700 3.000 2.777 2.596 2.953 0.104 27 0 "[    .    1    .    2    .    3]" 2 
       32 1  5 ILE O 1 54 ARG H 1.900     . 2.000 2.055 2.013 2.092 0.092 17 0 "[    .    1    .    2    .    3]" 2 
       33 1 68 GLU O 1 72 GLN N 2.800 2.700 3.000 2.915 2.768 3.019 0.019 11 0 "[    .    1    .    2    .    3]" 2 
       34 1 68 GLU O 1 72 GLN H 1.900     . 2.000 2.068 2.050 2.078 0.078  9 0 "[    .    1    .    2    .    3]" 2 
       35 1 69 SER O 1 73 VAL N 2.800 2.700 3.000 2.997 2.932 3.048 0.048 14 0 "[    .    1    .    2    .    3]" 2 
       36 1 69 SER O 1 73 VAL H 1.900     . 2.000 2.081 2.052 2.128 0.128 19 0 "[    .    1    .    2    .    3]" 2 
       37 1 70 VAL O 1 74 PHE N 2.800 2.700 3.000 2.852 2.777 2.910     .  0 0 "[    .    1    .    2    .    3]" 2 
       38 1 70 VAL O 1 74 PHE H 1.900     . 2.000 1.930 1.852 1.993     .  0 0 "[    .    1    .    2    .    3]" 2 
       39 1 71 LEU O 1 75 ARG N 2.800 2.700 3.000 2.884 2.785 2.938     .  0 0 "[    .    1    .    2    .    3]" 2 
       40 1 71 LEU O 1 75 ARG H 1.900     . 2.000 1.962 1.920 1.991     .  0 0 "[    .    1    .    2    .    3]" 2 
       41 1 72 GLN O 1 76 GLU N 2.800 2.700 3.000 2.929 2.870 3.023 0.023  2 0 "[    .    1    .    2    .    3]" 2 
       42 1 72 GLN O 1 76 GLU H 1.900     . 2.000 2.120 2.076 2.150 0.150  2 0 "[    .    1    .    2    .    3]" 2 
       43 1 73 VAL O 1 77 ALA N 2.800 2.700 3.000 2.776 2.657 2.877 0.043 22 0 "[    .    1    .    2    .    3]" 2 
       44 1 73 VAL O 1 77 ALA H 1.900     . 2.000 2.016 1.968 2.049 0.049 11 0 "[    .    1    .    2    .    3]" 2 
       45 1 74 PHE O 1 78 LYS N 2.800 2.700 3.000 3.017 2.985 3.048 0.048 16 0 "[    .    1    .    2    .    3]" 2 
       46 1 74 PHE O 1 78 LYS H 1.900     . 2.000 2.068 2.047 2.098 0.098  2 0 "[    .    1    .    2    .    3]" 2 
       47 1 49 LEU O 1 85 THR N 2.800 2.700 3.000 2.783 2.674 2.932 0.026 21 0 "[    .    1    .    2    .    3]" 2 
       48 1 49 LEU O 1 85 THR H 1.900     . 2.000 2.031 2.009 2.055 0.055 23 0 "[    .    1    .    2    .    3]" 2 
       49 1 51 LEU O 1 87 ILE N 2.800 2.700 3.000 3.015 2.960 3.057 0.057 13 0 "[    .    1    .    2    .    3]" 2 
       50 1 51 LEU O 1 87 ILE H 1.900     . 2.000 2.059 2.032 2.080 0.080  9 0 "[    .    1    .    2    .    3]" 2 
    stop_

save_



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