NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type subtype subsubtype
468601 1a5j 4114 cing recoord 4-filtered-FRED Wattos check violation distance


data_1a5j


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              1319
    _Distance_constraint_stats_list.Viol_count                    5662
    _Distance_constraint_stats_list.Viol_total                    21466.826
    _Distance_constraint_stats_list.Viol_max                      0.498
    _Distance_constraint_stats_list.Viol_rms                      0.0527
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0159
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1185
    _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 GLY  0.000 0.000  . 0 "[    .    1    .    2    .    3  ]" 
       1   2 ILE  0.406 0.106  6 0 "[    .    1    .    2    .    3  ]" 
       1   3 PRO  4.810 0.477 31 0 "[    .    1    .    2    .    3  ]" 
       1   4 ASP  8.227 0.477 31 0 "[    .    1    .    2    .    3  ]" 
       1   5 LEU 28.649 0.489 29 0 "[    .    1    .    2    .    3  ]" 
       1   6 VAL 20.614 0.489 29 0 "[    .    1    .    2    .    3  ]" 
       1   7 LYS 12.917 0.479 29 0 "[    .    1    .    2    .    3  ]" 
       1   8 GLY 10.963 0.479 29 0 "[    .    1    .    2    .    3  ]" 
       1   9 PRO 11.213 0.486 27 0 "[    .    1    .    2    .    3  ]" 
       1  10 TRP 33.652 0.498 16 0 "[    .    1    .    2    .    3  ]" 
       1  11 THR  2.034 0.174 26 0 "[    .    1    .    2    .    3  ]" 
       1  12 LYS  4.293 0.492 16 0 "[    .    1    .    2    .    3  ]" 
       1  13 GLU 28.395 0.452 27 0 "[    .    1    .    2    .    3  ]" 
       1  14 GLU 13.014 0.354 15 0 "[    .    1    .    2    .    3  ]" 
       1  15 ASP 13.438 0.492 16 0 "[    .    1    .    2    .    3  ]" 
       1  16 GLN 16.262 0.452 27 0 "[    .    1    .    2    .    3  ]" 
       1  17 LYS  6.518 0.375 28 0 "[    .    1    .    2    .    3  ]" 
       1  18 VAL  8.780 0.354 15 0 "[    .    1    .    2    .    3  ]" 
       1  19 ILE 17.307 0.449 14 0 "[    .    1    .    2    .    3  ]" 
       1  20 GLU  3.073 0.142 14 0 "[    .    1    .    2    .    3  ]" 
       1  21 LEU  3.289 0.142 14 0 "[    .    1    .    2    .    3  ]" 
       1  22 VAL  0.047 0.047 17 0 "[    .    1    .    2    .    3  ]" 
       1  23 LYS  2.401 0.106 14 0 "[    .    1    .    2    .    3  ]" 
       1  24 LYS  7.305 0.196 27 0 "[    .    1    .    2    .    3  ]" 
       1  25 TYR  6.475 0.206 30 0 "[    .    1    .    2    .    3  ]" 
       1  26 GLY 10.299 0.248 27 0 "[    .    1    .    2    .    3  ]" 
       1  27 THR  5.579 0.248 27 0 "[    .    1    .    2    .    3  ]" 
       1  28 LYS  1.611 0.227  8 0 "[    .    1    .    2    .    3  ]" 
       1  29 GLN  1.366 0.227  8 0 "[    .    1    .    2    .    3  ]" 
       1  30 TRP  6.922 0.265 24 0 "[    .    1    .    2    .    3  ]" 
       1  31 THR  7.128 0.262 30 0 "[    .    1    .    2    .    3  ]" 
       1  32 LEU  2.889 0.313 16 0 "[    .    1    .    2    .    3  ]" 
       1  33 ILE  5.311 0.338 10 0 "[    .    1    .    2    .    3  ]" 
       1  34 ALA  3.815 0.187  8 0 "[    .    1    .    2    .    3  ]" 
       1  35 LYS  7.238 0.257  3 0 "[    .    1    .    2    .    3  ]" 
       1  36 HIS  6.386 0.338 10 0 "[    .    1    .    2    .    3  ]" 
       1  37 LEU  9.901 0.454 26 0 "[    .    1    .    2    .    3  ]" 
       1  38 LYS  6.774 0.417 26 0 "[    .    1    .    2    .    3  ]" 
       1  39 GLY  4.309 0.201 30 0 "[    .    1    .    2    .    3  ]" 
       1  40 ARG  0.170 0.045 18 0 "[    .    1    .    2    .    3  ]" 
       1  41 LEU  6.203 0.295 32 0 "[    .    1    .    2    .    3  ]" 
       1  42 GLY  0.323 0.098 21 0 "[    .    1    .    2    .    3  ]" 
       1  43 LYS  0.347 0.236 32 0 "[    .    1    .    2    .    3  ]" 
       1  44 GLN  2.542 0.295 32 0 "[    .    1    .    2    .    3  ]" 
       1  45 CYS  0.180 0.078  4 0 "[    .    1    .    2    .    3  ]" 
       1  46 ARG  0.943 0.308 24 0 "[    .    1    .    2    .    3  ]" 
       1  47 GLU  1.191 0.308 24 0 "[    .    1    .    2    .    3  ]" 
       1  48 ARG  0.938 0.147 17 0 "[    .    1    .    2    .    3  ]" 
       1  49 TRP 14.813 0.449 14 0 "[    .    1    .    2    .    3  ]" 
       1  50 HIS  8.218 0.493 14 0 "[    .    1    .    2    .    3  ]" 
       1  51 ASN 22.124 0.493 14 0 "[    .    1    .    2    .    3  ]" 
       1  52 HIS  1.841 0.274 15 0 "[    .    1    .    2    .    3  ]" 
       1  53 LEU  0.908 0.214  3 0 "[    .    1    .    2    .    3  ]" 
       1  54 ASN  0.000 0.000  . 0 "[    .    1    .    2    .    3  ]" 
       1  55 PRO  1.032 0.186 28 0 "[    .    1    .    2    .    3  ]" 
       1  56 GLU  2.764 0.278 31 0 "[    .    1    .    2    .    3  ]" 
       1  57 VAL 12.671 0.328 27 0 "[    .    1    .    2    .    3  ]" 
       1  58 LYS  6.108 0.328 27 0 "[    .    1    .    2    .    3  ]" 
       1  59 LYS  3.400 0.150 21 0 "[    .    1    .    2    .    3  ]" 
       1  60 SER  2.413 0.199 31 0 "[    .    1    .    2    .    3  ]" 
       1  61 SER  7.061 0.318 27 0 "[    .    1    .    2    .    3  ]" 
       1  62 TRP 45.224 0.408 14 0 "[    .    1    .    2    .    3  ]" 
       1  63 THR  3.837 0.406 14 0 "[    .    1    .    2    .    3  ]" 
       1  64 GLU 11.097 0.406 14 0 "[    .    1    .    2    .    3  ]" 
       1  65 GLU  5.111 0.224 30 0 "[    .    1    .    2    .    3  ]" 
       1  66 GLU  2.046 0.114 18 0 "[    .    1    .    2    .    3  ]" 
       1  67 ASP  5.662 0.237 14 0 "[    .    1    .    2    .    3  ]" 
       1  68 ARG  6.412 0.143 15 0 "[    .    1    .    2    .    3  ]" 
       1  69 ILE  2.429 0.124 15 0 "[    .    1    .    2    .    3  ]" 
       1  70 ILE  4.521 0.264  2 0 "[    .    1    .    2    .    3  ]" 
       1  71 PHE  2.246 0.137 12 0 "[    .    1    .    2    .    3  ]" 
       1  72 GLU  3.337 0.137 12 0 "[    .    1    .    2    .    3  ]" 
       1  73 ALA  2.110 0.142  1 0 "[    .    1    .    2    .    3  ]" 
       1  74 HIS 15.043 0.206 18 0 "[    .    1    .    2    .    3  ]" 
       1  75 LYS  8.105 0.166 26 0 "[    .    1    .    2    .    3  ]" 
       1  76 VAL 19.008 0.364 27 0 "[    .    1    .    2    .    3  ]" 
       1  77 LEU 14.836 0.320 12 0 "[    .    1    .    2    .    3  ]" 
       1  78 GLY 13.038 0.364 27 0 "[    .    1    .    2    .    3  ]" 
       1  79 ASN 22.033 0.319 15 0 "[    .    1    .    2    .    3  ]" 
       1  80 ARG 15.258 0.492 32 0 "[    .    1    .    2    .    3  ]" 
       1  81 TRP 52.783 0.319 15 0 "[    .    1    .    2    .    3  ]" 
       1  82 ALA  6.829 0.159 18 0 "[    .    1    .    2    .    3  ]" 
       1  83 GLU  3.687 0.119 18 0 "[    .    1    .    2    .    3  ]" 
       1  84 ILE  5.433 0.206 18 0 "[    .    1    .    2    .    3  ]" 
       1  85 ALA  5.253 0.194 15 0 "[    .    1    .    2    .    3  ]" 
       1  86 LYS  6.292 0.234 19 0 "[    .    1    .    2    .    3  ]" 
       1  87 LEU  0.394 0.132  3 0 "[    .    1    .    2    .    3  ]" 
       1  88 LEU  0.865 0.136 26 0 "[    .    1    .    2    .    3  ]" 
       1  89 PRO  3.375 0.360 25 0 "[    .    1    .    2    .    3  ]" 
       1  90 GLY  4.019 0.360 25 0 "[    .    1    .    2    .    3  ]" 
       1  91 ARG  2.684 0.277 29 0 "[    .    1    .    2    .    3  ]" 
       1  92 THR  0.000 0.000  . 0 "[    .    1    .    2    .    3  ]" 
       1  93 ASP  1.415 0.116  6 0 "[    .    1    .    2    .    3  ]" 
       1  94 ASN 15.242 0.275 20 0 "[    .    1    .    2    .    3  ]" 
       1  95 ALA  8.898 0.275 20 0 "[    .    1    .    2    .    3  ]" 
       1  96 VAL  7.407 0.244 29 0 "[    .    1    .    2    .    3  ]" 
       1  97 LYS  7.792 0.258 23 0 "[    .    1    .    2    .    3  ]" 
       1  98 ASN 16.862 0.264 28 0 "[    .    1    .    2    .    3  ]" 
       1  99 HIS 17.729 0.244 28 0 "[    .    1    .    2    .    3  ]" 
       1 100 TRP 32.707 0.303 27 0 "[    .    1    .    2    .    3  ]" 
       1 101 ASN 42.160 0.332 27 0 "[    .    1    .    2    .    3  ]" 
       1 102 SER 30.262 0.332 27 0 "[    .    1    .    2    .    3  ]" 
       1 103 THR 32.942 0.340  4 0 "[    .    1    .    2    .    3  ]" 
       1 104 ILE 23.990 0.340  4 0 "[    .    1    .    2    .    3  ]" 
       1 105 LYS 13.740 0.361  4 0 "[    .    1    .    2    .    3  ]" 
       1 106 ARG  7.234 0.361  4 0 "[    .    1    .    2    .    3  ]" 
       1 107 LYS 16.827 0.464 16 0 "[    .    1    .    2    .    3  ]" 
       1 108 VAL  7.469 0.196 22 0 "[    .    1    .    2    .    3  ]" 
       1 109 ASP  1.599 0.078 31 0 "[    .    1    .    2    .    3  ]" 
       1 110 THR  0.085 0.028 25 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   1 GLY QA  1   6 VAL MG2  . .  7.500 5.227 2.687 5.937     .  0 0 "[    .    1    .    2    .    3  ]" 1 
          2 1   2 ILE H   1   2 ILE HB   . .  4.000 3.450 2.521 3.959     .  0 0 "[    .    1    .    2    .    3  ]" 1 
          3 1   2 ILE H   1   2 ILE HG12 . .  5.000 3.315 1.785 4.927     .  0 0 "[    .    1    .    2    .    3  ]" 1 
          4 1   2 ILE H   1   2 ILE HG13 . .  5.000 2.899 1.724 4.836     .  0 0 "[    .    1    .    2    .    3  ]" 1 
          5 1   2 ILE HA  1   2 ILE MG   . .  3.300 2.325 1.908 3.195     .  0 0 "[    .    1    .    2    .    3  ]" 1 
          6 1   2 ILE HA  1   3 PRO HD2  . .  4.000 2.673 2.205 3.146     .  0 0 "[    .    1    .    2    .    3  ]" 1 
          7 1   2 ILE HA  1   3 PRO QD   . .  3.340 2.072 1.839 2.562     .  0 0 "[    .    1    .    2    .    3  ]" 1 
          8 1   2 ILE HA  1   3 PRO HD3  . .  4.000 2.230 1.910 3.095     .  0 0 "[    .    1    .    2    .    3  ]" 1 
          9 1   2 ILE HB  1   3 PRO HD2  . .  5.000 3.048 1.630 5.106 0.106  6 0 "[    .    1    .    2    .    3  ]" 1 
         10 1   2 ILE HB  1   3 PRO HD3  . .  5.000 3.657 2.335 4.837     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         11 1   2 ILE MD  1   7 LYS QD   . .  7.500 5.136 3.025 5.601     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         12 1   2 ILE MD  1   9 PRO QB   . .  7.380 4.969 2.690 5.694     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         13 1   2 ILE MG  1   3 PRO HD2  . .  5.500 3.110 1.781 4.663     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         14 1   2 ILE MG  1   3 PRO QD   . .  5.090 2.818 1.737 3.896     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         15 1   2 ILE MG  1   3 PRO HD3  . .  5.500 3.306 1.967 4.441     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         16 1   3 PRO HA  1   4 ASP H    . .  2.800 2.903 2.374 3.277 0.477 31 0 "[    .    1    .    2    .    3  ]" 1 
         17 1   3 PRO QB  1   4 ASP H    . .  4.000 2.618 1.737 4.057 0.057 29 0 "[    .    1    .    2    .    3  ]" 1 
         18 1   4 ASP H   1   4 ASP HA   . .  2.800 2.785 2.209 2.917 0.117  2 0 "[    .    1    .    2    .    3  ]" 1 
         19 1   4 ASP H   1   4 ASP HB2  . .  2.800 2.440 2.168 3.053 0.253  5 0 "[    .    1    .    2    .    3  ]" 1 
         20 1   4 ASP H   1   4 ASP HB3  . .  2.800 2.762 2.483 3.243 0.443  9 0 "[    .    1    .    2    .    3  ]" 1 
         21 1   4 ASP HA  1   4 ASP HB2  . .  2.800 2.611 2.348 2.701     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         22 1   4 ASP HA  1   5 LEU H    . .  2.800 2.610 2.254 3.092 0.292 30 0 "[    .    1    .    2    .    3  ]" 1 
         23 1   4 ASP HB2 1   5 LEU H    . .  5.000 4.082 3.401 4.729     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         24 1   5 LEU H   1   5 LEU QB   . .  3.800 3.300 2.228 3.507     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         25 1   5 LEU H   1   5 LEU MD1  . .  5.500 3.678 2.453 4.195     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         26 1   5 LEU H   1   5 LEU HG   . .  2.800 2.783 2.372 3.127 0.327 27 0 "[    .    1    .    2    .    3  ]" 1 
         27 1   5 LEU HA  1   5 LEU MD1  . .  4.800 3.825 3.315 4.038     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         28 1   5 LEU HA  1   5 LEU MD2  . .  4.300 3.025 2.498 3.345     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         29 1   5 LEU HA  1   5 LEU HG   . .  2.800 2.724 2.163 3.190 0.390 30 0 "[    .    1    .    2    .    3  ]" 1 
         30 1   5 LEU HA  1   6 VAL H    . .  2.800 2.872 2.198 3.289 0.489 29 0 "[    .    1    .    2    .    3  ]" 1 
         31 1   5 LEU HA  1   9 PRO HA   . .  5.000 4.933 1.997 5.427 0.427 16 0 "[    .    1    .    2    .    3  ]" 1 
         32 1   5 LEU HA  1  39 GLY QA   . .  4.880 4.471 4.250 4.673     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         33 1   5 LEU QB  1   6 VAL H    . .  5.000 3.607 1.842 3.864     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         34 1   5 LEU HG  1   6 VAL H    . .  4.000 4.340 4.077 4.467 0.467  7 0 "[    .    1    .    2    .    3  ]" 1 
         35 1   6 VAL H   1   6 VAL HB   . .  2.800 2.528 2.188 3.048 0.248 29 0 "[    .    1    .    2    .    3  ]" 1 
         36 1   6 VAL H   1   6 VAL MG1  . .  4.300 3.750 3.613 3.959     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         37 1   6 VAL H   1   7 LYS H    . .  4.000 3.092 1.785 4.342 0.342 31 0 "[    .    1    .    2    .    3  ]" 1 
         38 1   6 VAL HB  1   7 LYS H    . .  4.000 2.595 1.914 4.470 0.470 18 0 "[    .    1    .    2    .    3  ]" 1 
         39 1   6 VAL MG1 1   8 GLY H    . .  5.500 3.621 2.367 4.725     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         40 1   6 VAL MG1 1   9 PRO QB   . .  6.380 4.480 4.116 4.934     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         41 1   6 VAL MG2 1   8 GLY H    . .  5.500 4.779 3.688 4.980     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         42 1   6 VAL MG2 1   9 PRO QB   . .  6.380 4.182 2.380 4.592     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         43 1   7 LYS H   1   7 LYS QD   . .  4.300 2.685 1.835 3.902     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         44 1   7 LYS H   1   8 GLY H    . .  3.300 2.868 2.597 3.348 0.048 31 0 "[    .    1    .    2    .    3  ]" 1 
         45 1   7 LYS HA  1   7 LYS HB2  . .  2.800 2.835 2.393 3.027 0.227  8 0 "[    .    1    .    2    .    3  ]" 1 
         46 1   7 LYS HA  1   7 LYS HB3  . .  2.800 2.666 2.275 2.880 0.080 18 0 "[    .    1    .    2    .    3  ]" 1 
         47 1   7 LYS HA  1   7 LYS QD   . .  4.300 2.831 1.980 3.869     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         48 1   7 LYS HA  1   8 GLY H    . .  2.800 3.039 2.805 3.279 0.479 29 0 "[    .    1    .    2    .    3  ]" 1 
         49 1   7 LYS QB  1   8 GLY H    . .  4.180 3.876 3.641 4.130     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         50 1   7 LYS HB2 1   7 LYS QE   . .  4.300 3.174 2.317 3.921     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         51 1   7 LYS HB3 1   7 LYS QE   . .  4.300 3.332 2.160 3.897     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         52 1   8 GLY H   1   8 GLY HA2  . .  2.800 2.567 2.267 2.814 0.014 23 0 "[    .    1    .    2    .    3  ]" 1 
         53 1   8 GLY H   1   8 GLY HA3  . .  2.800 2.896 2.797 2.961 0.161  4 0 "[    .    1    .    2    .    3  ]" 1 
         54 1   8 GLY H   1   9 PRO HD2  . .  5.000 3.212 2.492 3.570     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         55 1   8 GLY H   1   9 PRO QD   . .  4.440 1.883 1.587 2.206     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         56 1   8 GLY H   1   9 PRO HD3  . .  5.000 1.897 1.595 2.227     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         57 1   8 GLY HA2 1   9 PRO HD2  . .  4.000 2.406 2.259 2.690     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         58 1   8 GLY HA2 1   9 PRO HD3  . .  4.000 2.692 2.453 3.045     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         59 1   8 GLY HA3 1   9 PRO HD2  . .  4.000 3.949 3.843 4.049 0.049 27 0 "[    .    1    .    2    .    3  ]" 1 
         60 1   8 GLY HA3 1   9 PRO HD3  . .  4.000 3.814 3.742 3.828     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         61 1   9 PRO HA  1  10 TRP H    . .  2.800 2.295 2.148 2.841 0.041 26 0 "[    .    1    .    2    .    3  ]" 1 
         62 1   9 PRO HA  1  10 TRP HA   . .  6.000 4.263 4.202 4.295     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         63 1   9 PRO HA  1  10 TRP HD1  . .  2.800 3.003 2.846 3.286 0.486 27 0 "[    .    1    .    2    .    3  ]" 1 
         64 1   9 PRO HA  1  11 THR MG   . .  5.500 4.571 3.377 4.866     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         65 1   9 PRO QB  1  11 THR MG   . .  7.380 3.488 2.321 4.632     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         66 1   9 PRO HB2 1  10 TRP H    . .  4.000 3.288 1.837 3.969     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         67 1   9 PRO HB3 1  10 TRP H    . .  4.000 3.777 3.074 4.211 0.211 18 0 "[    .    1    .    2    .    3  ]" 1 
         68 1   9 PRO QG  1  11 THR MG   . .  7.500 3.987 2.117 5.149     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         69 1  10 TRP H   1  10 TRP HB2  . .  2.800 2.438 2.301 2.527     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         70 1  10 TRP H   1  10 TRP HB3  . .  3.300 3.577 3.535 3.690 0.390 18 0 "[    .    1    .    2    .    3  ]" 1 
         71 1  10 TRP H   1  10 TRP HD1  . .  3.300 2.179 1.838 3.058     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         72 1  10 TRP HB2 1  10 TRP HE3  . .  3.300 3.506 3.192 3.798 0.498 16 0 "[    .    1    .    2    .    3  ]" 1 
         73 1  10 TRP HB3 1  10 TRP HE3  . .  3.300 2.402 2.333 2.589     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         74 1  10 TRP HB3 1  10 TRP HZ3  . .  5.000 4.840 4.788 4.986     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         75 1  10 TRP HE3 1  14 GLU HB2  . .  3.300 2.651 1.681 3.460 0.160 24 0 "[    .    1    .    2    .    3  ]" 1 
         76 1  10 TRP HE3 1  14 GLU HB3  . .  3.300 2.247 1.648 3.557 0.257 14 0 "[    .    1    .    2    .    3  ]" 1 
         77 1  10 TRP HE3 1  14 GLU HG2  . .  4.000 3.328 1.867 4.197 0.197 24 0 "[    .    1    .    2    .    3  ]" 1 
         78 1  10 TRP HE3 1  14 GLU HG3  . .  4.000 3.323 1.648 4.083 0.083  5 0 "[    .    1    .    2    .    3  ]" 1 
         79 1  10 TRP HE3 1  15 ASP HA   . .  5.000 4.761 3.714 5.324 0.324 23 0 "[    .    1    .    2    .    3  ]" 1 
         80 1  10 TRP HE3 1  18 VAL MG2  . .  6.500 4.649 3.723 5.429     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         81 1  10 TRP HE3 1  37 LEU MD2  . .  5.500 2.827 1.712 4.602     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         82 1  10 TRP HZ3 1  14 GLU QG   . .  4.880 3.996 3.301 4.585     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         83 1  10 TRP HZ3 1  15 ASP HA   . .  5.300 5.514 5.228 5.774 0.474 30 0 "[    .    1    .    2    .    3  ]" 1 
         84 1  10 TRP HZ3 1  18 VAL MG2  . .  5.800 3.800 2.766 4.583     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         85 1  10 TRP HZ3 1  37 LEU MD2  . .  5.500 2.692 1.715 4.706     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         86 1  11 THR HA  1  11 THR HB   . .  2.800 2.412 2.336 2.502     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         87 1  11 THR HA  1  12 LYS H    . .  2.800 2.732 2.373 2.974 0.174 26 0 "[    .    1    .    2    .    3  ]" 1 
         88 1  11 THR HA  1  13 GLU H    . .  5.000 4.522 4.002 5.097 0.097 22 0 "[    .    1    .    2    .    3  ]" 1 
         89 1  11 THR HB  1  12 LYS H    . .  2.800 2.298 1.934 2.929 0.129 16 0 "[    .    1    .    2    .    3  ]" 1 
         90 1  11 THR HB  1  13 GLU H    . .  4.000 3.709 3.140 4.169 0.169 28 0 "[    .    1    .    2    .    3  ]" 1 
         91 1  11 THR MG  1  12 LYS H    . .  5.500 3.861 3.669 4.229     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         92 1  12 LYS H   1  12 LYS HA   . .  2.800 2.723 2.630 2.878 0.078 30 0 "[    .    1    .    2    .    3  ]" 1 
         93 1  12 LYS H   1  12 LYS HB2  . .  2.800 2.377 2.173 2.652     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         94 1  12 LYS H   1  12 LYS HB3  . .  2.800 2.593 2.293 2.803 0.003 31 0 "[    .    1    .    2    .    3  ]" 1 
         95 1  12 LYS H   1  12 LYS QG   . .  4.880 3.910 3.814 4.007     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         96 1  12 LYS H   1  13 GLU H    . .  3.300 2.861 2.319 3.171     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         97 1  12 LYS HA  1  12 LYS QE   . .  6.000 4.394 2.832 4.996     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         98 1  12 LYS HA  1  12 LYS HG2  . .  4.000 2.840 2.249 3.852     .  0 0 "[    .    1    .    2    .    3  ]" 1 
         99 1  12 LYS HA  1  12 LYS HG3  . .  4.000 2.831 2.182 3.595     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        100 1  12 LYS HA  1  15 ASP H    . .  4.000 3.337 2.998 3.574     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        101 1  12 LYS HA  1  15 ASP HB2  . .  4.000 2.350 1.987 2.843     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        102 1  12 LYS HA  1  15 ASP HB3  . .  4.000 3.854 3.215 4.492 0.492 16 0 "[    .    1    .    2    .    3  ]" 1 
        103 1  12 LYS HB3 1  13 GLU H    . .  3.300 2.793 2.278 3.358 0.058 27 0 "[    .    1    .    2    .    3  ]" 1 
        104 1  12 LYS QG  1  13 GLU H    . .  4.880 3.991 3.601 4.316     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        105 1  12 LYS O   1  16 GLN H    . .  2.300 1.850 1.633 2.278     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        106 1  12 LYS O   1  16 GLN N    . .  3.300 2.643 2.405 3.117     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        107 1  13 GLU H   1  13 GLU HA   . .  2.800 2.709 2.651 2.796     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        108 1  13 GLU H   1  13 GLU HB2  . .  2.800 2.254 2.073 2.885 0.085 21 0 "[    .    1    .    2    .    3  ]" 1 
        109 1  13 GLU H   1  13 GLU HB3  . .  2.800 2.817 2.145 3.022 0.222 24 0 "[    .    1    .    2    .    3  ]" 1 
        110 1  13 GLU H   1  13 GLU HG2  . .  4.000 4.101 4.077 4.171 0.171 16 0 "[    .    1    .    2    .    3  ]" 1 
        111 1  13 GLU H   1  13 GLU HG3  . .  4.000 4.148 4.063 4.378 0.378 16 0 "[    .    1    .    2    .    3  ]" 1 
        112 1  13 GLU H   1  14 GLU H    . .  3.300 3.012 2.643 3.320 0.020 24 0 "[    .    1    .    2    .    3  ]" 1 
        113 1  13 GLU HA  1  13 GLU HG2  . .  4.000 2.435 2.022 3.790     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        114 1  13 GLU HA  1  13 GLU HG3  . .  4.000 3.087 2.767 3.169     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        115 1  13 GLU HA  1  16 GLN HB2  . .  4.000 4.234 4.062 4.452 0.452 27 0 "[    .    1    .    2    .    3  ]" 1 
        116 1  13 GLU HA  1  16 GLN HB3  . .  4.000 3.085 2.608 4.207 0.207 22 0 "[    .    1    .    2    .    3  ]" 1 
        117 1  13 GLU HA  1  16 GLN HG2  . .  5.000 2.244 1.772 2.789     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        118 1  13 GLU HA  1  16 GLN HG3  . .  5.000 3.377 2.010 3.991     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        119 1  13 GLU O   1  17 LYS H    . .  2.300 2.358 1.762 2.675 0.375 28 0 "[    .    1    .    2    .    3  ]" 1 
        120 1  13 GLU O   1  17 LYS N    . .  3.300 3.109 2.656 3.389 0.089 28 0 "[    .    1    .    2    .    3  ]" 1 
        121 1  14 GLU H   1  14 GLU HB2  . .  4.000 2.559 2.060 3.589     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        122 1  14 GLU H   1  14 GLU HB3  . .  4.000 3.195 2.034 3.551     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        123 1  14 GLU H   1  14 GLU HG2  . .  4.000 3.359 1.915 4.102 0.102 22 0 "[    .    1    .    2    .    3  ]" 1 
        124 1  14 GLU H   1  14 GLU QG   . .  3.560 2.951 1.904 3.585 0.025 27 0 "[    .    1    .    2    .    3  ]" 1 
        125 1  14 GLU H   1  14 GLU HG3  . .  4.000 3.615 2.539 4.284 0.284 28 0 "[    .    1    .    2    .    3  ]" 1 
        126 1  14 GLU H   1  15 ASP H    . .  3.300 2.769 2.307 2.845     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        127 1  14 GLU HA  1  14 GLU HG2  . .  4.000 3.446 2.379 4.271 0.271 23 0 "[    .    1    .    2    .    3  ]" 1 
        128 1  14 GLU HA  1  14 GLU HG3  . .  4.000 3.035 2.153 4.179 0.179 16 0 "[    .    1    .    2    .    3  ]" 1 
        129 1  14 GLU HA  1  17 LYS HB2  . .  5.000 3.124 2.580 4.046     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        130 1  14 GLU HA  1  17 LYS QB   . .  4.440 2.853 2.546 3.168     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        131 1  14 GLU HA  1  17 LYS HB3  . .  5.000 3.608 2.788 3.973     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        132 1  14 GLU QB  1  15 ASP H    . .  4.440 2.889 2.599 3.434     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        133 1  14 GLU HB2 1  15 ASP H    . .  5.000 3.164 2.718 4.203     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        134 1  14 GLU HB3 1  15 ASP H    . .  5.000 3.561 2.960 3.967     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        135 1  14 GLU QG  1  15 ASP H    . .  5.880 3.934 1.824 4.849     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        136 1  14 GLU O   1  18 VAL H    . .  2.300 2.402 1.655 2.654 0.354 15 0 "[    .    1    .    2    .    3  ]" 1 
        137 1  14 GLU O   1  18 VAL N    . .  3.300 3.325 2.652 3.538 0.238 15 0 "[    .    1    .    2    .    3  ]" 1 
        138 1  15 ASP H   1  15 ASP HB2  . .  4.000 2.229 2.102 2.608     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        139 1  15 ASP H   1  16 GLN H    . .  3.300 2.620 2.161 2.929     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        140 1  15 ASP HA  1  18 VAL HB   . .  5.000 2.934 2.461 3.547     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        141 1  15 ASP HA  1  18 VAL MG2  . .  6.500 3.574 3.019 4.371     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        142 1  15 ASP HA  1  32 LEU QD   . .  9.070 6.453 6.176 6.800     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        143 1  15 ASP HB2 1  16 GLN H    . .  3.300 2.745 2.247 3.251     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        144 1  15 ASP O   1  19 ILE H    . .  2.300 2.209 1.635 2.494 0.194 22 0 "[    .    1    .    2    .    3  ]" 1 
        145 1  15 ASP O   1  19 ILE N    . .  3.300 3.114 2.522 3.414 0.114 22 0 "[    .    1    .    2    .    3  ]" 1 
        146 1  16 GLN H   1  16 GLN HA   . .  2.800 2.749 2.617 2.875 0.075  2 0 "[    .    1    .    2    .    3  ]" 1 
        147 1  16 GLN H   1  16 GLN HB3  . .  2.800 2.305 2.154 2.736     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        148 1  16 GLN H   1  16 GLN HG2  . .  3.300 3.041 2.177 3.409 0.109 29 0 "[    .    1    .    2    .    3  ]" 1 
        149 1  16 GLN H   1  16 GLN QG   . .  2.930 2.579 1.813 2.872     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        150 1  16 GLN H   1  16 GLN HG3  . .  3.300 2.919 1.849 3.478 0.178 27 0 "[    .    1    .    2    .    3  ]" 1 
        151 1  16 GLN H   1  17 LYS H    . .  2.800 2.670 2.246 2.981 0.181 23 0 "[    .    1    .    2    .    3  ]" 1 
        152 1  16 GLN H   1  19 ILE MD   . .  6.500 4.813 4.319 5.397     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        153 1  16 GLN HA  1  16 GLN HG2  . .  4.000 4.111 3.782 4.239 0.239 29 0 "[    .    1    .    2    .    3  ]" 1 
        154 1  16 GLN HA  1  16 GLN HG3  . .  4.000 3.548 3.473 3.704     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        155 1  16 GLN HA  1  19 ILE H    . .  6.000 3.538 3.224 3.812     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        156 1  16 GLN HA  1  19 ILE HB   . .  3.300 2.623 2.138 3.109     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        157 1  16 GLN HA  1  19 ILE MD   . .  4.800 3.785 3.236 4.121     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        158 1  16 GLN HA  1  19 ILE MG   . .  5.500 3.704 2.898 4.293     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        159 1  16 GLN HB3 1  17 LYS H    . .  5.000 3.952 3.766 4.345     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        160 1  16 GLN O   1  20 GLU H    . .  2.300 2.203 1.826 2.398 0.098 21 0 "[    .    1    .    2    .    3  ]" 1 
        161 1  16 GLN O   1  20 GLU N    . .  3.300 3.085 2.695 3.332 0.032 26 0 "[    .    1    .    2    .    3  ]" 1 
        162 1  17 LYS H   1  17 LYS HB2  . .  4.000 2.270 2.057 2.590     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        163 1  17 LYS H   1  17 LYS HB3  . .  4.000 2.789 2.395 3.425     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        164 1  17 LYS H   1  17 LYS QD   . .  5.000 4.361 3.732 4.519     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        165 1  17 LYS H   1  18 VAL H    . .  3.300 2.670 2.347 3.107     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        166 1  17 LYS H   1  18 VAL HB   . .  6.000 4.411 4.143 4.775     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        167 1  17 LYS H   1  19 ILE MD   . .  7.500 4.773 4.094 5.441     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        168 1  17 LYS HA  1  17 LYS QD   . .  5.000 3.902 3.252 4.112     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        169 1  17 LYS HA  1  18 VAL MG1  . .  7.500 6.032 5.954 6.131     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        170 1  17 LYS HA  1  20 GLU H    . .  4.000 3.368 2.966 4.104 0.104 27 0 "[    .    1    .    2    .    3  ]" 1 
        171 1  17 LYS HA  1  20 GLU QB   . .  5.880 2.777 2.187 4.139     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        172 1  17 LYS HA  1  20 GLU QG   . .  5.880 4.476 2.582 5.267     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        173 1  17 LYS HA  1  37 LEU MD2  . .  7.500 5.735 5.270 6.124     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        174 1  17 LYS QB  1  18 VAL H    . .  4.880 2.451 2.032 2.743     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        175 1  17 LYS QB  1  21 LEU QD   . .  8.020 2.954 1.797 3.732     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        176 1  17 LYS QB  1  37 LEU MD1  . .  5.960 4.105 3.199 4.505     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        177 1  17 LYS HB2 1  21 LEU MD1  . .  9.640 4.217 3.222 5.064     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        178 1  17 LYS HB2 1  21 LEU MD2  . .  9.640 6.478 5.425 7.466     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        179 1  17 LYS HB2 1  37 LEU MD1  . .  6.500 5.165 3.961 5.409     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        180 1  17 LYS HB2 1  37 LEU MD2  . .  6.500 4.223 2.970 4.956     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        181 1  17 LYS HB3 1  21 LEU MD1  . .  9.640 3.050 1.809 3.904     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        182 1  17 LYS HB3 1  21 LEU MD2  . .  9.640 5.558 4.112 6.438     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        183 1  17 LYS HB3 1  37 LEU MD1  . .  6.500 4.336 3.378 5.082     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        184 1  17 LYS HB3 1  37 LEU MD2  . .  6.500 3.393 2.897 3.914     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        185 1  17 LYS QD  1  21 LEU QD   . .  8.070 2.374 1.747 3.553     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        186 1  17 LYS QD  1  36 HIS HE1  . .  6.500 4.546 3.195 5.748     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        187 1  17 LYS QD  1  37 LEU MD1  . .  7.500 5.056 3.173 5.559     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        188 1  17 LYS QD  1  37 LEU MD2  . .  6.500 3.586 2.483 4.403     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        189 1  17 LYS QE  1  37 LEU MD2  . .  7.500 4.972 2.219 5.615     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        190 1  17 LYS QG  1  21 LEU QD   . .  7.540 2.414 1.753 3.331     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        191 1  17 LYS QG  1  36 HIS HE1  . .  6.380 5.292 3.849 5.686     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        192 1  17 LYS QG  1  37 LEU MD2  . .  7.380 4.742 3.247 5.471     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        193 1  17 LYS HG2 1  21 LEU MD1  . .  9.640 2.487 1.872 3.486     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        194 1  17 LYS HG2 1  21 LEU MD2  . .  9.640 4.283 3.196 5.260     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        195 1  17 LYS HG3 1  21 LEU MD1  . .  9.640 3.727 2.128 4.763     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        196 1  17 LYS HG3 1  21 LEU MD2  . .  9.640 5.385 3.966 6.648     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        197 1  17 LYS O   1  21 LEU H    . .  2.300 1.939 1.583 2.344 0.044 24 0 "[    .    1    .    2    .    3  ]" 1 
        198 1  17 LYS O   1  21 LEU N    . .  3.300 2.697 2.466 3.028     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        199 1  18 VAL H   1  18 VAL HB   . .  3.300 2.178 2.078 2.382     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        200 1  18 VAL H   1  18 VAL MG2  . .  4.800 2.511 2.117 2.782     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        201 1  18 VAL H   1  19 ILE H    . .  4.000 2.811 2.577 3.010     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        202 1  18 VAL HA  1  21 LEU HB2  . .  4.000 2.231 1.985 2.530     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        203 1  18 VAL HA  1  21 LEU QD   . .  7.070 2.185 1.884 2.764     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        204 1  18 VAL HA  1  21 LEU HG   . .  5.000 4.151 3.379 4.589     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        205 1  18 VAL HA  1  33 ILE MG   . .  5.500 4.659 4.501 4.791     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        206 1  18 VAL HB  1  19 ILE MD   . .  5.500 2.729 2.371 3.228     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        207 1  18 VAL MG1 1  19 ILE HA   . .  6.500 3.242 2.913 3.658     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        208 1  18 VAL MG1 1  19 ILE MD   . .  6.300 2.049 1.773 2.437     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        209 1  18 VAL MG1 1  22 VAL MG2  . .  6.300 2.169 1.880 2.792     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        210 1  18 VAL MG1 1  32 LEU QB   . .  7.500 5.544 5.363 5.691     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        211 1  18 VAL MG1 1  33 ILE MD   . .  9.000 2.866 1.623 3.161     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        212 1  18 VAL MG2 1  19 ILE MD   . .  7.000 3.937 3.734 4.208     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        213 1  18 VAL MG2 1  36 HIS HD2  . .  6.000 4.792 4.165 5.024     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        214 1  18 VAL O   1  22 VAL H    . .  2.300 1.878 1.673 2.184     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        215 1  18 VAL O   1  22 VAL N    . .  3.300 2.820 2.651 3.163     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        216 1  19 ILE H   1  19 ILE MD   . .  5.500 1.965 1.807 2.317     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        217 1  19 ILE H   1  19 ILE QG   . .  4.880 3.254 2.201 3.547     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        218 1  19 ILE HA  1  19 ILE HG12 . .  4.000 3.602 3.431 3.666     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        219 1  19 ILE HA  1  19 ILE HG13 . .  4.000 2.762 2.574 3.552     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        220 1  19 ILE HA  1  22 VAL HB   . .  5.000 3.104 2.488 3.607     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        221 1  19 ILE HA  1  22 VAL MG2  . .  7.500 3.368 2.242 4.370     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        222 1  19 ILE HA  1  49 TRP HH2  . .  2.800 1.821 1.497 1.975     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        223 1  19 ILE HA  1  49 TRP HZ2  . .  3.300 3.545 3.421 3.749 0.449 14 0 "[    .    1    .    2    .    3  ]" 1 
        224 1  19 ILE HA  1  49 TRP HZ3  . .  2.800 3.010 2.880 3.194 0.394 32 0 "[    .    1    .    2    .    3  ]" 1 
        225 1  19 ILE HB  1  20 GLU H    . .  3.300 2.738 2.217 3.130     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        226 1  19 ILE MD  1  32 LEU QD   . .  7.870 4.819 4.614 4.951     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        227 1  19 ILE MG  1  20 GLU HA   . .  5.500 3.166 2.819 3.707     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        228 1  19 ILE MG  1  23 LYS QD   . .  7.500 4.169 1.824 5.504     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        229 1  19 ILE MG  1  23 LYS QG   . .  6.380 3.026 2.145 4.533     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        230 1  19 ILE O   1  23 LYS H    . .  2.300 2.219 1.726 2.380 0.080 25 0 "[    .    1    .    2    .    3  ]" 1 
        231 1  19 ILE O   1  23 LYS N    . .  3.300 3.018 2.684 3.359 0.059 30 0 "[    .    1    .    2    .    3  ]" 1 
        232 1  20 GLU H   1  20 GLU HG2  . .  5.000 3.953 2.044 4.579     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        233 1  20 GLU H   1  20 GLU QG   . .  4.440 3.421 2.024 3.976     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        234 1  20 GLU H   1  20 GLU HG3  . .  5.000 3.865 2.379 4.580     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        235 1  20 GLU H   1  21 LEU H    . .  4.000 2.605 2.329 3.004     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        236 1  20 GLU H   1  21 LEU HG   . .  5.000 4.961 4.438 5.142 0.142 14 0 "[    .    1    .    2    .    3  ]" 1 
        237 1  20 GLU HA  1  20 GLU HG2  . .  4.000 2.540 2.000 3.676     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        238 1  20 GLU HA  1  20 GLU HG3  . .  4.000 2.952 2.022 3.763     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        239 1  20 GLU HA  1  23 LYS H    . .  4.000 3.519 3.167 3.851     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        240 1  20 GLU O   1  24 LYS H    . .  2.300 2.309 2.138 2.375 0.075  1 0 "[    .    1    .    2    .    3  ]" 1 
        241 1  20 GLU O   1  24 LYS N    . .  3.300 3.150 2.782 3.328 0.028 31 0 "[    .    1    .    2    .    3  ]" 1 
        242 1  21 LEU H   1  21 LEU HB2  . .  3.300 2.183 2.113 2.438     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        243 1  21 LEU H   1  21 LEU HB3  . .  4.000 3.456 3.408 3.545     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        244 1  21 LEU H   1  21 LEU HG   . .  3.300 3.053 2.199 3.368 0.068 22 0 "[    .    1    .    2    .    3  ]" 1 
        245 1  21 LEU HA  1  21 LEU HG   . .  4.000 2.496 2.289 2.885     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        246 1  21 LEU HA  1  24 LYS H    . .  4.000 3.237 2.793 3.451     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        247 1  21 LEU HA  1  24 LYS HB2  . .  4.000 3.632 2.452 4.033 0.033 31 0 "[    .    1    .    2    .    3  ]" 1 
        248 1  21 LEU HA  1  24 LYS HB3  . .  4.000 3.195 2.374 3.667     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        249 1  21 LEU HA  1  25 TYR HD1  . .  4.000 3.688 3.238 4.028 0.028 30 0 "[    .    1    .    2    .    3  ]" 1 
        250 1  21 LEU HA  1  25 TYR HE1  . .  4.000 4.051 3.980 4.127 0.127 30 0 "[    .    1    .    2    .    3  ]" 1 
        251 1  21 LEU HB3 1  33 ILE MD   . .  5.500 4.373 3.681 4.572     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        252 1  21 LEU QD  1  25 TYR HD1  . .  5.870 3.608 3.105 3.849     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        253 1  21 LEU QD  1  25 TYR HE1  . .  5.870 2.494 1.934 2.875     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        254 1  21 LEU QD  1  36 HIS HA   . .  8.070 4.711 4.093 5.015     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        255 1  21 LEU QD  1  36 HIS HD2  . .  5.440 3.757 3.268 4.099     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        256 1  21 LEU QD  1  36 HIS HE1  . .  6.890 1.979 1.738 2.442     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        257 1  21 LEU MD1 1  36 HIS HD2  . .  6.000 3.985 3.413 4.451     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        258 1  21 LEU MD1 1  36 HIS HE1  . .  8.000 2.608 1.942 3.149     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        259 1  21 LEU MD2 1  36 HIS HD2  . .  6.000 4.692 3.837 4.900     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        260 1  21 LEU MD2 1  36 HIS HE1  . .  8.000 2.151 1.791 2.969     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        261 1  21 LEU O   1  25 TYR H    . .  2.300 1.773 1.641 2.094     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        262 1  21 LEU O   1  25 TYR N    . .  3.300 2.561 2.421 2.788     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        263 1  22 VAL H   1  22 VAL HB   . .  4.000 2.435 2.133 2.719     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        264 1  22 VAL H   1  23 LYS H    . .  3.300 2.701 2.502 2.986     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        265 1  22 VAL HA  1  25 TYR H    . .  5.000 3.197 2.886 3.634     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        266 1  22 VAL HA  1  26 GLY H    . .  3.300 2.888 2.196 3.347 0.047 17 0 "[    .    1    .    2    .    3  ]" 1 
        267 1  22 VAL HA  1  33 ILE MD   . .  5.500 3.801 3.348 4.072     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        268 1  22 VAL MG1 1  23 LYS H    . .  7.500 3.770 3.032 4.146     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        269 1  22 VAL MG1 1  26 GLY QA   . .  7.380 3.421 2.664 4.275     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        270 1  22 VAL MG1 1  27 THR MG   . .  7.000 3.435 1.749 4.595     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        271 1  22 VAL MG1 1  33 ILE MD   . .  8.000 3.337 2.572 4.038     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        272 1  22 VAL MG1 1  49 TRP HZ2  . .  5.500 3.299 1.902 4.488     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        273 1  22 VAL MG1 1  49 TRP HZ3  . .  6.500 3.713 1.954 5.236     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        274 1  22 VAL MG2 1  23 LYS H    . .  7.500 4.003 3.619 4.317     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        275 1  22 VAL MG2 1  26 GLY H    . .  6.500 4.642 3.824 5.106     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        276 1  22 VAL MG2 1  30 TRP HH2  . . 10.000 4.973 3.882 6.594     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        277 1  22 VAL MG2 1  30 TRP HZ3  . .  7.500 4.623 3.515 6.412     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        278 1  22 VAL MG2 1  33 ILE MD   . .  5.800 1.806 1.660 2.271     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        279 1  22 VAL MG2 1  33 ILE MG   . .  6.300 3.978 3.538 4.431     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        280 1  22 VAL MG2 1  49 TRP HZ2  . .  6.500 3.424 1.906 5.490     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        281 1  22 VAL MG2 1  49 TRP HZ3  . .  7.500 3.997 1.898 5.682     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        282 1  23 LYS H   1  23 LYS HA   . .  2.800 2.850 2.778 2.906 0.106 14 0 "[    .    1    .    2    .    3  ]" 1 
        283 1  23 LYS H   1  23 LYS QB   . .  3.800 2.179 2.043 2.747     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        284 1  23 LYS H   1  23 LYS HG2  . .  4.000 3.413 1.943 3.987     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        285 1  23 LYS H   1  23 LYS QG   . .  3.560 2.847 1.872 3.262     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        286 1  23 LYS H   1  23 LYS HG3  . .  4.000 3.157 1.936 4.017 0.017  2 0 "[    .    1    .    2    .    3  ]" 1 
        287 1  23 LYS H   1  24 LYS H    . .  2.800 2.526 2.241 2.734     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        288 1  23 LYS QB  1  24 LYS H    . .  4.300 2.979 2.414 3.813     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        289 1  24 LYS H   1  24 LYS HA   . .  2.800 2.863 2.807 2.936 0.136  3 0 "[    .    1    .    2    .    3  ]" 1 
        290 1  24 LYS H   1  24 LYS HB2  . .  2.800 2.353 2.173 2.687     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        291 1  24 LYS H   1  25 TYR H    . .  2.800 2.380 1.907 2.613     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        292 1  24 LYS HA  1  24 LYS HD2  . .  5.000 4.270 3.513 4.806     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        293 1  24 LYS HA  1  24 LYS QD   . .  4.440 3.817 3.305 4.076     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        294 1  24 LYS HA  1  24 LYS HD3  . .  5.000 4.352 4.025 4.505     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        295 1  24 LYS HA  1  24 LYS HG2  . .  4.000 2.225 2.057 2.942     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        296 1  24 LYS HA  1  24 LYS QG   . .  3.560 2.131 2.033 2.272     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        297 1  24 LYS HA  1  24 LYS HG3  . .  4.000 3.014 2.208 3.396     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        298 1  24 LYS HA  1  26 GLY H    . .  5.000 5.086 4.991 5.172 0.172 29 0 "[    .    1    .    2    .    3  ]" 1 
        299 1  24 LYS HB2 1  25 TYR H    . .  4.000 4.019 3.690 4.196 0.196 27 0 "[    .    1    .    2    .    3  ]" 1 
        300 1  24 LYS HB3 1  24 LYS HD2  . .  4.000 3.104 2.172 3.868     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        301 1  24 LYS HB3 1  24 LYS HD3  . .  4.000 2.806 1.994 3.608     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        302 1  24 LYS HB3 1  25 TYR H    . .  4.000 3.304 2.688 3.722     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        303 1  24 LYS QD  1  25 TYR HE1  . .  4.880 3.782 2.752 4.333     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        304 1  24 LYS HE2 1  25 TYR HE1  . .  4.000 3.497 2.134 4.045 0.045 12 0 "[    .    1    .    2    .    3  ]" 1 
        305 1  24 LYS HE3 1  25 TYR HE1  . .  4.000 3.534 2.445 4.070 0.070  1 0 "[    .    1    .    2    .    3  ]" 1 
        306 1  24 LYS QG  1  25 TYR H    . .  6.880 4.544 4.106 4.701     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        307 1  25 TYR CG  1  32 LEU QD   . .  7.870 2.862 2.084 3.983     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        308 1  25 TYR CZ  1  25 TYR HA   . .  4.800 4.899 4.839 5.006 0.206 30 0 "[    .    1    .    2    .    3  ]" 1 
        309 1  25 TYR CZ  1  32 LEU QD   . .  7.870 2.917 2.472 3.834     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        310 1  25 TYR H   1  25 TYR HB2  . .  3.300 2.072 2.021 2.160     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        311 1  25 TYR H   1  25 TYR HB3  . .  4.000 3.388 3.341 3.435     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        312 1  25 TYR H   1  26 GLY H    . .  2.800 2.438 2.163 2.597     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        313 1  25 TYR HA  1  29 GLN HE21 . .  5.000 4.272 3.418 5.053 0.053 25 0 "[    .    1    .    2    .    3  ]" 1 
        314 1  25 TYR HA  1  29 GLN HE22 . .  5.000 4.334 2.510 5.026 0.026  6 0 "[    .    1    .    2    .    3  ]" 1 
        315 1  25 TYR HB2 1  26 GLY H    . .  5.000 2.323 2.233 2.445     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        316 1  25 TYR HB2 1  29 GLN QE   . .  5.870 4.448 3.408 5.163     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        317 1  25 TYR HB3 1  26 GLY H    . .  6.000 2.966 2.750 3.245     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        318 1  25 TYR HB3 1  29 GLN HE21 . .  5.000 3.258 2.081 3.976     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        319 1  25 TYR HB3 1  29 GLN QE   . .  4.440 3.033 1.934 3.796     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        320 1  25 TYR HB3 1  29 GLN HE22 . .  5.000 3.894 1.969 5.003 0.003 27 0 "[    .    1    .    2    .    3  ]" 1 
        321 1  25 TYR HD2 1  33 ILE MD   . .  5.500 4.545 4.182 4.699     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        322 1  25 TYR HE2 1  33 ILE MD   . .  6.500 5.339 5.170 5.519     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        323 1  26 GLY H   1  26 GLY HA2  . .  2.800 2.377 2.246 2.663     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        324 1  26 GLY H   1  26 GLY HA3  . .  2.800 2.777 2.554 2.961 0.161  1 0 "[    .    1    .    2    .    3  ]" 1 
        325 1  26 GLY H   1  27 THR H    . .  5.000 3.598 1.877 4.140     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        326 1  26 GLY QA  1  28 LYS H    . .  4.880 4.263 3.557 4.613     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        327 1  26 GLY HA2 1  27 THR H    . .  3.300 2.735 2.222 3.548 0.248 27 0 "[    .    1    .    2    .    3  ]" 1 
        328 1  26 GLY HA3 1  27 THR H    . .  3.300 3.131 2.203 3.542 0.242 31 0 "[    .    1    .    2    .    3  ]" 1 
        329 1  27 THR H   1  28 LYS H    . .  3.300 2.492 1.892 3.008     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        330 1  27 THR MG  1  32 LEU QD   . .  8.570 4.910 4.456 5.383     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        331 1  28 LYS H   1  28 LYS HB2  . .  4.000 3.206 2.422 3.826     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        332 1  28 LYS H   1  28 LYS QB   . .  3.560 2.885 2.298 3.105     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        333 1  28 LYS H   1  28 LYS HB3  . .  4.000 3.422 2.663 3.915     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        334 1  28 LYS H   1  28 LYS QG   . .  5.000 4.020 2.205 4.502     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        335 1  28 LYS H   1  29 GLN H    . .  2.800 2.083 1.448 3.027 0.227  8 0 "[    .    1    .    2    .    3  ]" 1 
        336 1  28 LYS HA  1  28 LYS HD2  . .  5.000 3.953 1.999 4.987     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        337 1  28 LYS HA  1  28 LYS HD3  . .  5.000 4.135 2.711 5.029 0.029 21 0 "[    .    1    .    2    .    3  ]" 1 
        338 1  28 LYS HA  1  28 LYS QE   . .  6.000 3.750 2.066 5.357     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        339 1  28 LYS HA  1  30 TRP HD1  . .  3.800 3.682 2.977 3.897 0.097 14 0 "[    .    1    .    2    .    3  ]" 1 
        340 1  28 LYS HA  1  30 TRP HE1  . .  5.000 4.676 4.012 5.104 0.104 30 0 "[    .    1    .    2    .    3  ]" 1 
        341 1  28 LYS QB  1  29 GLN H    . .  5.880 3.420 2.062 4.137     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        342 1  29 GLN H   1  29 GLN HB2  . .  4.000 2.510 2.134 3.576     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        343 1  29 GLN H   1  29 GLN HB3  . .  4.000 3.588 3.429 3.947     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        344 1  29 GLN H   1  29 GLN HG2  . .  5.000 3.949 2.159 4.735     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        345 1  29 GLN H   1  29 GLN QG   . .  4.440 3.074 1.951 3.916     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        346 1  29 GLN H   1  29 GLN HG3  . .  5.000 3.306 1.962 4.234     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        347 1  29 GLN H   1  30 TRP H    . .  4.000 3.665 2.287 4.085 0.085 11 0 "[    .    1    .    2    .    3  ]" 1 
        348 1  29 GLN HA  1  29 GLN HG2  . .  4.000 2.679 2.120 3.524     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        349 1  29 GLN HA  1  29 GLN QG   . .  3.560 2.231 2.022 2.609     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        350 1  29 GLN HA  1  29 GLN HG3  . .  4.000 2.753 2.043 3.734     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        351 1  29 GLN HA  1  31 THR H    . .  5.000 3.043 2.787 3.734     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        352 1  29 GLN HA  1  32 LEU QD   . .  9.070 4.769 3.622 6.207     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        353 1  29 GLN HB2 1  32 LEU QB   . .  6.000 3.933 2.834 4.622     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        354 1  29 GLN QG  1  32 LEU QD   . .  8.230 4.256 2.861 5.274     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        355 1  29 GLN HG2 1  32 LEU MD1  . .  9.250 6.521 3.937 7.854     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        356 1  29 GLN HG2 1  32 LEU MD2  . .  9.250 5.297 2.940 7.780     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        357 1  29 GLN HG3 1  32 LEU MD1  . .  9.250 6.728 4.063 7.877     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        358 1  29 GLN HG3 1  32 LEU MD2  . .  9.250 5.423 3.351 7.805     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        359 1  30 TRP H   1  30 TRP HB2  . .  4.000 2.327 2.108 3.385     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        360 1  30 TRP H   1  30 TRP HB3  . .  4.000 3.522 3.403 4.105 0.105 13 0 "[    .    1    .    2    .    3  ]" 1 
        361 1  30 TRP H   1  30 TRP HD1  . .  4.000 3.474 2.721 4.175 0.175 20 0 "[    .    1    .    2    .    3  ]" 1 
        362 1  30 TRP HA  1  30 TRP HD1  . .  4.000 4.051 3.676 4.265 0.265 24 0 "[    .    1    .    2    .    3  ]" 1 
        363 1  30 TRP HA  1  30 TRP HE3  . .  4.000 2.913 2.456 3.512     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        364 1  30 TRP HA  1  33 ILE HB   . .  4.000 3.294 2.907 3.860     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        365 1  30 TRP HA  1  33 ILE MD   . .  6.500 1.868 1.729 3.023     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        366 1  30 TRP HA  1  33 ILE MG   . .  5.500 4.537 4.244 4.756     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        367 1  30 TRP HB2 1  30 TRP HE1  . .  5.000 4.927 4.910 4.964     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        368 1  30 TRP HB2 1  31 THR H    . .  4.000 3.552 3.250 3.931     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        369 1  30 TRP HB3 1  31 THR H    . .  4.000 4.030 3.760 4.262 0.262 30 0 "[    .    1    .    2    .    3  ]" 1 
        370 1  30 TRP HD1 1  46 ARG QD   . .  6.500 4.986 3.387 5.856     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        371 1  30 TRP HD1 1  46 ARG QG   . .  5.380 4.764 4.142 5.152     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        372 1  30 TRP HE3 1  33 ILE HB   . .  3.300 2.822 2.111 3.300     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        373 1  30 TRP HE3 1  33 ILE MG   . .  5.500 3.123 2.594 3.538     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        374 1  30 TRP HH2 1  33 ILE MD   . .  8.500 4.898 4.183 5.904     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        375 1  30 TRP HH2 1  45 CYS QB   . .  8.000 4.131 2.066 6.935     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        376 1  30 TRP HH2 1  50 HIS HD2  . .  5.500 5.096 3.389 5.577 0.077 18 0 "[    .    1    .    2    .    3  ]" 1 
        377 1  30 TRP HZ3 1  33 ILE MD   . .  8.500 3.783 2.989 5.006     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        378 1  30 TRP HZ3 1  33 ILE MG   . .  4.300 2.977 2.182 3.416     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        379 1  30 TRP HZ3 1  45 CYS QB   . .  8.000 3.142 1.864 5.499     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        380 1  31 THR H   1  31 THR HA   . .  2.800 2.846 2.771 2.926 0.126 30 0 "[    .    1    .    2    .    3  ]" 1 
        381 1  31 THR H   1  31 THR HB   . .  2.800 1.994 1.942 2.124     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        382 1  31 THR H   1  31 THR MG   . .  4.800 3.197 2.966 3.397     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        383 1  31 THR H   1  32 LEU H    . .  2.800 2.570 2.327 2.810 0.010 18 0 "[    .    1    .    2    .    3  ]" 1 
        384 1  31 THR H   1  32 LEU QB   . .  7.000 4.333 4.122 4.656     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        385 1  31 THR HA  1  31 THR HB   . .  2.800 2.882 2.810 2.969 0.169 30 0 "[    .    1    .    2    .    3  ]" 1 
        386 1  31 THR HA  1  34 ALA MB   . .  4.300 3.034 2.516 3.608     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        387 1  31 THR HB  1  32 LEU H    . .  3.300 3.271 2.883 3.349 0.049 25 0 "[    .    1    .    2    .    3  ]" 1 
        388 1  31 THR MG  1  32 LEU H    . .  5.500 2.404 1.984 2.968     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        389 1  31 THR MG  1  32 LEU HA   . .  4.300 2.903 2.774 3.044     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        390 1  31 THR MG  1  34 ALA MB   . .  7.000 4.484 4.137 4.683     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        391 1  31 THR MG  1  35 LYS QE   . .  6.500 3.286 1.923 4.689     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        392 1  31 THR MG  1  35 LYS QG   . .  5.680 3.240 2.571 4.089     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        393 1  31 THR O   1  35 LYS H    . .  2.300 2.020 1.597 2.424 0.124 20 0 "[    .    1    .    2    .    3  ]" 1 
        394 1  31 THR O   1  35 LYS N    . .  3.300 2.511 2.343 2.637     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        395 1  32 LEU H   1  32 LEU HA   . .  2.800 2.753 2.733 2.825 0.025 16 0 "[    .    1    .    2    .    3  ]" 1 
        396 1  32 LEU H   1  32 LEU QB   . .  3.800 2.076 1.990 2.213     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        397 1  32 LEU H   1  32 LEU HG   . .  4.000 3.206 2.588 4.313 0.313 16 0 "[    .    1    .    2    .    3  ]" 1 
        398 1  32 LEU H   1  33 ILE H    . .  3.300 2.799 2.527 2.896     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        399 1  32 LEU H   1  33 ILE QG   . .  5.880 5.115 3.631 5.323     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        400 1  32 LEU HA  1  32 LEU HG   . .  4.000 3.866 3.661 4.243 0.243  6 0 "[    .    1    .    2    .    3  ]" 1 
        401 1  32 LEU HA  1  35 LYS HB2  . .  5.000 3.097 2.138 3.779     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        402 1  32 LEU HA  1  35 LYS QB   . .  4.440 2.056 1.821 2.383     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        403 1  32 LEU HA  1  35 LYS HB3  . .  5.000 2.096 1.914 2.409     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        404 1  32 LEU HA  1  35 LYS QD   . .  5.000 3.389 2.604 4.174     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        405 1  32 LEU HA  1  35 LYS QE   . .  5.000 3.628 1.990 4.516     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        406 1  32 LEU HA  1  35 LYS QG   . .  4.880 4.069 3.520 4.460     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        407 1  32 LEU QB  1  33 ILE H    . .  4.300 3.448 3.203 3.767     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        408 1  32 LEU QB  1  33 ILE MG   . .  7.500 5.870 5.793 5.996     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        409 1  32 LEU QD  1  36 HIS HD2  . .  6.330 2.851 1.995 3.675     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        410 1  32 LEU QD  1  36 HIS HE1  . .  5.200 3.452 2.537 3.917     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        411 1  32 LEU MD1 1  36 HIS HD2  . .  7.000 3.320 2.001 4.718     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        412 1  32 LEU MD1 1  36 HIS HE1  . .  6.000 4.197 3.217 5.331     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        413 1  32 LEU MD2 1  36 HIS HD2  . .  7.000 4.310 2.622 5.369     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        414 1  32 LEU MD2 1  36 HIS HE1  . .  6.000 4.251 2.542 4.842     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        415 1  33 ILE H   1  33 ILE HB   . .  2.800 2.352 2.207 2.580     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        416 1  33 ILE H   1  33 ILE HG12 . .  4.000 3.807 1.824 4.117 0.117  3 0 "[    .    1    .    2    .    3  ]" 1 
        417 1  33 ILE H   1  33 ILE HG13 . .  4.000 3.060 2.652 3.585     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        418 1  33 ILE H   1  34 ALA H    . .  3.300 2.785 2.271 3.325 0.025  8 0 "[    .    1    .    2    .    3  ]" 1 
        419 1  33 ILE HA  1  33 ILE HG12 . .  4.000 3.426 3.265 3.513     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        420 1  33 ILE HA  1  33 ILE QG   . .  3.560 2.242 2.127 3.083     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        421 1  33 ILE HA  1  33 ILE HG13 . .  4.000 2.291 2.152 3.789     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        422 1  33 ILE HA  1  36 HIS HD2  . .  4.500 4.620 4.338 4.838 0.338 10 0 "[    .    1    .    2    .    3  ]" 1 
        423 1  33 ILE HB  1  34 ALA H    . .  2.800 2.550 2.087 2.852 0.052 17 0 "[    .    1    .    2    .    3  ]" 1 
        424 1  33 ILE QG  1  34 ALA H    . .  4.880 4.384 3.681 4.546     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        425 1  33 ILE MG  1  34 ALA H    . .  5.500 3.152 2.432 3.529     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        426 1  33 ILE MG  1  34 ALA HA   . .  4.300 3.469 3.075 3.841     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        427 1  33 ILE MG  1  34 ALA MB   . .  6.500 3.480 3.218 3.959     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        428 1  33 ILE MG  1  45 CYS HB2  . .  6.500 4.152 1.927 5.301     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        429 1  33 ILE MG  1  45 CYS QB   . .  5.960 3.572 1.699 4.333     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        430 1  33 ILE MG  1  45 CYS HB3  . .  6.500 4.063 1.888 5.347     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        431 1  34 ALA H   1  34 ALA HA   . .  2.800 2.859 2.690 2.933 0.133 14 0 "[    .    1    .    2    .    3  ]" 1 
        432 1  34 ALA H   1  35 LYS H    . .  2.800 2.651 2.264 2.987 0.187  8 0 "[    .    1    .    2    .    3  ]" 1 
        433 1  34 ALA HA  1  37 LEU QB   . .  5.000 3.713 2.267 4.207     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        434 1  34 ALA HA  1  37 LEU HG   . .  5.000 4.703 3.601 5.135 0.135 22 0 "[    .    1    .    2    .    3  ]" 1 
        435 1  34 ALA MB  1  35 LYS HA   . .  5.000 4.016 3.622 4.247     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        436 1  34 ALA MB  1  41 LEU HA   . .  4.800 3.698 2.332 4.041     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        437 1  34 ALA MB  1  42 GLY HA2  . .  4.300 3.167 1.771 3.587     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        438 1  34 ALA MB  1  42 GLY HA3  . .  4.300 2.576 1.771 3.651     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        439 1  35 LYS H   1  35 LYS HA   . .  2.800 2.876 2.690 2.940 0.140 11 0 "[    .    1    .    2    .    3  ]" 1 
        440 1  35 LYS H   1  35 LYS HB2  . .  2.800 2.654 2.177 3.057 0.257  3 0 "[    .    1    .    2    .    3  ]" 1 
        441 1  35 LYS H   1  35 LYS HB3  . .  2.800 2.698 2.326 2.884 0.084 25 0 "[    .    1    .    2    .    3  ]" 1 
        442 1  35 LYS H   1  35 LYS QG   . .  4.880 4.006 3.782 4.185     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        443 1  35 LYS H   1  36 HIS H    . .  2.800 2.187 1.803 2.861 0.061 21 0 "[    .    1    .    2    .    3  ]" 1 
        444 1  35 LYS HA  1  35 LYS QD   . .  5.000 3.723 3.025 4.216     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        445 1  35 LYS HA  1  35 LYS QE   . .  6.000 4.452 3.209 5.017     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        446 1  35 LYS HA  1  36 HIS HD2  . .  5.500 4.530 4.058 5.156     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        447 1  35 LYS QB  1  36 HIS HD2  . .  5.380 2.195 1.910 2.749     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        448 1  35 LYS HB2 1  36 HIS H    . .  4.000 3.955 3.591 4.239 0.239 24 0 "[    .    1    .    2    .    3  ]" 1 
        449 1  35 LYS HB3 1  36 HIS H    . .  4.000 2.970 2.745 3.769     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        450 1  36 HIS H   1  36 HIS HB2  . .  3.300 2.381 2.188 2.562     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        451 1  36 HIS H   1  36 HIS HB3  . .  4.000 3.562 3.469 3.671     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        452 1  36 HIS H   1  36 HIS HD2  . .  4.500 2.448 1.907 3.451     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        453 1  36 HIS HA  1  36 HIS HD2  . .  3.800 3.333 2.996 3.777     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        454 1  36 HIS HA  1  36 HIS HE1  . .  5.500 5.461 5.165 5.632 0.132 14 0 "[    .    1    .    2    .    3  ]" 1 
        455 1  36 HIS HB2 1  37 LEU H    . .  6.000 2.976 2.277 4.186     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        456 1  36 HIS HB3 1  37 LEU H    . .  6.000 3.780 2.857 4.580     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        457 1  37 LEU H   1  37 LEU QB   . .  3.800 2.793 2.312 3.059     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        458 1  37 LEU H   1  37 LEU MD2  . .  5.500 3.020 2.256 4.101     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        459 1  37 LEU H   1  37 LEU HG   . .  4.000 2.536 1.923 4.226 0.226 26 0 "[    .    1    .    2    .    3  ]" 1 
        460 1  37 LEU H   1  38 LYS H    . .  4.000 3.963 3.383 4.417 0.417 26 0 "[    .    1    .    2    .    3  ]" 1 
        461 1  37 LEU HA  1  37 LEU MD1  . .  4.800 3.795 1.906 4.061     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        462 1  37 LEU HA  1  37 LEU MD2  . .  4.300 2.308 1.943 2.856     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        463 1  37 LEU HA  1  37 LEU HG   . .  3.300 3.455 3.012 3.754 0.454 26 0 "[    .    1    .    2    .    3  ]" 1 
        464 1  37 LEU HA  1  38 LYS H    . .  2.800 2.310 2.176 2.686     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        465 1  37 LEU MD2 1  38 LYS H    . .  5.500 4.167 3.460 4.550     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        466 1  38 LYS H   1  38 LYS HA   . .  2.800 2.817 2.226 2.938 0.138 23 0 "[    .    1    .    2    .    3  ]" 1 
        467 1  38 LYS H   1  38 LYS QB   . .  3.460 2.503 1.988 3.158     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        468 1  38 LYS H   1  38 LYS QD   . .  3.800 3.266 1.911 3.690     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        469 1  38 LYS H   1  38 LYS HG2  . .  5.000 3.636 1.972 5.088 0.088 16 0 "[    .    1    .    2    .    3  ]" 1 
        470 1  38 LYS H   1  38 LYS QG   . .  4.440 2.868 1.808 4.094     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        471 1  38 LYS H   1  38 LYS HG3  . .  5.000 3.336 1.823 5.073 0.073 22 0 "[    .    1    .    2    .    3  ]" 1 
        472 1  38 LYS H   1  39 GLY H    . .  5.000 4.116 2.128 4.599     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        473 1  38 LYS HA  1  38 LYS QD   . .  5.000 3.009 1.820 4.230     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        474 1  38 LYS HA  1  39 GLY H    . .  2.800 2.668 2.176 3.001 0.201 30 0 "[    .    1    .    2    .    3  ]" 1 
        475 1  38 LYS HA  1  40 ARG H    . .  4.000 3.468 2.866 4.045 0.045 18 0 "[    .    1    .    2    .    3  ]" 1 
        476 1  38 LYS QB  1  39 GLY H    . .  4.880 2.791 1.931 4.130     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        477 1  38 LYS QD  1  39 GLY H    . .  5.000 3.777 1.883 4.506     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        478 1  38 LYS QG  1  39 GLY H    . .  5.450 3.504 2.227 4.806     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        479 1  38 LYS HG2 1  39 GLY H    . .  6.000 4.344 2.853 5.986     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        480 1  38 LYS HG3 1  39 GLY H    . .  6.000 3.802 2.287 6.022 0.022 18 0 "[    .    1    .    2    .    3  ]" 1 
        481 1  39 GLY H   1  39 GLY HA2  . .  2.800 2.519 2.246 2.959 0.159 31 0 "[    .    1    .    2    .    3  ]" 1 
        482 1  39 GLY H   1  39 GLY HA3  . .  2.800 2.736 2.246 2.957 0.157 13 0 "[    .    1    .    2    .    3  ]" 1 
        483 1  39 GLY H   1  40 ARG H    . .  4.000 2.673 1.805 3.593     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        484 1  40 ARG H   1  40 ARG HB2  . .  4.000 2.948 2.285 3.738     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        485 1  40 ARG H   1  40 ARG HB3  . .  4.000 3.512 2.667 3.984     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        486 1  40 ARG H   1  40 ARG HG2  . .  5.000 4.460 3.507 5.040 0.040 14 0 "[    .    1    .    2    .    3  ]" 1 
        487 1  40 ARG H   1  40 ARG QG   . .  4.440 3.872 3.176 4.082     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        488 1  40 ARG H   1  40 ARG HG3  . .  5.000 4.363 3.496 4.945     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        489 1  40 ARG HA  1  40 ARG HD2  . .  4.000 3.766 3.124 4.010 0.010  7 0 "[    .    1    .    2    .    3  ]" 1 
        490 1  40 ARG HA  1  40 ARG HD3  . .  4.000 3.667 2.773 4.020 0.020 11 0 "[    .    1    .    2    .    3  ]" 1 
        491 1  41 LEU H   1  41 LEU HB2  . .  2.800 2.311 2.091 3.085 0.285  7 0 "[    .    1    .    2    .    3  ]" 1 
        492 1  41 LEU H   1  41 LEU HB3  . .  4.000 3.522 3.386 3.960     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        493 1  41 LEU H   1  41 LEU HG   . .  4.000 4.010 3.836 4.274 0.274  7 0 "[    .    1    .    2    .    3  ]" 1 
        494 1  41 LEU HA  1  41 LEU MD1  . .  2.800 2.290 2.124 2.409     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        495 1  41 LEU HA  1  41 LEU MD2  . .  2.800 2.219 2.062 2.391     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        496 1  41 LEU HA  1  41 LEU HG   . .  4.000 3.655 3.648 3.664     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        497 1  41 LEU HB3 1  42 GLY H    . .  4.000 2.765 1.859 4.098 0.098 21 0 "[    .    1    .    2    .    3  ]" 1 
        498 1  41 LEU HB3 1  44 GLN H    . .  5.000 4.999 3.907 5.295 0.295 32 0 "[    .    1    .    2    .    3  ]" 1 
        499 1  43 LYS H   1  43 LYS HB2  . .  3.300 2.600 2.024 3.536 0.236 32 0 "[    .    1    .    2    .    3  ]" 1 
        500 1  43 LYS H   1  43 LYS HB3  . .  3.300 2.922 2.260 3.324 0.024 23 0 "[    .    1    .    2    .    3  ]" 1 
        501 1  43 LYS H   1  43 LYS QD   . .  5.000 4.088 2.840 4.561     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        502 1  43 LYS H   1  43 LYS QG   . .  5.000 3.933 1.925 4.418     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        503 1  43 LYS H   1  44 GLN H    . .  5.000 3.189 1.917 4.392     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        504 1  43 LYS HA  1  43 LYS QE   . .  5.000 4.100 3.325 4.519     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        505 1  43 LYS QG  1  44 GLN H    . .  6.000 3.669 1.919 4.694     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        506 1  44 GLN H   1  45 CYS H    . .  4.000 3.429 2.228 4.078 0.078  4 0 "[    .    1    .    2    .    3  ]" 1 
        507 1  44 GLN HA  1  47 GLU QB   . .  5.000 4.292 3.587 4.597     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        508 1  45 CYS HB2 1  46 ARG H    . .  5.000 3.371 2.170 4.611     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        509 1  45 CYS HB3 1  46 ARG H    . .  5.000 3.427 1.923 4.651     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        510 1  46 ARG H   1  46 ARG HG2  . .  4.000 3.304 1.790 4.053 0.053  7 0 "[    .    1    .    2    .    3  ]" 1 
        511 1  46 ARG H   1  46 ARG HG3  . .  4.000 2.732 2.016 3.819     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        512 1  46 ARG H   1  47 GLU H    . .  4.000 3.513 2.980 4.308 0.308 24 0 "[    .    1    .    2    .    3  ]" 1 
        513 1  46 ARG HA  1  46 ARG HG2  . .  4.000 2.932 2.069 4.119 0.119 24 0 "[    .    1    .    2    .    3  ]" 1 
        514 1  46 ARG HA  1  46 ARG QG   . .  3.560 2.618 2.039 3.357     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        515 1  46 ARG HA  1  46 ARG HG3  . .  4.000 3.085 2.199 4.110 0.110 18 0 "[    .    1    .    2    .    3  ]" 1 
        516 1  46 ARG QB  1  49 TRP H    . .  6.000 5.169 3.986 5.466     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        517 1  46 ARG QB  1  50 HIS HD2  . .  5.500 3.253 1.883 4.489     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        518 1  46 ARG QG  1  47 GLU H    . .  4.880 4.337 3.187 4.532     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        519 1  46 ARG QG  1  50 HIS HD2  . .  4.950 3.177 1.951 4.502     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        520 1  46 ARG HG2 1  50 HIS HD2  . .  5.500 3.429 2.013 5.279     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        521 1  46 ARG HG3 1  50 HIS HD2  . .  5.500 4.422 1.964 5.534 0.034  9 0 "[    .    1    .    2    .    3  ]" 1 
        522 1  47 GLU H   1  47 GLU QB   . .  3.800 2.693 2.101 3.120     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        523 1  47 GLU H   1  47 GLU HG2  . .  5.000 4.431 3.856 4.712     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        524 1  47 GLU H   1  47 GLU QG   . .  4.440 3.971 3.148 4.101     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        525 1  47 GLU H   1  47 GLU HG3  . .  5.000 4.507 3.338 4.856     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        526 1  47 GLU H   1  48 ARG H    . .  4.000 2.805 1.797 4.147 0.147 17 0 "[    .    1    .    2    .    3  ]" 1 
        527 1  47 GLU HA  1  47 GLU HG2  . .  4.000 2.591 1.989 3.785     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        528 1  47 GLU HA  1  47 GLU HG3  . .  4.000 2.835 2.370 3.535     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        529 1  47 GLU QB  1  51 ASN HD21 . .  5.000 4.174 3.125 4.577     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        530 1  47 GLU QB  1  51 ASN HD22 . .  5.000 4.203 2.941 4.560     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        531 1  47 GLU QG  1  51 ASN QD   . .  4.580 3.227 2.323 3.771     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        532 1  47 GLU HG2 1  51 ASN HD21 . .  5.730 4.184 2.633 5.672     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        533 1  47 GLU HG2 1  51 ASN HD22 . .  5.730 4.553 2.447 5.770 0.040 28 0 "[    .    1    .    2    .    3  ]" 1 
        534 1  47 GLU HG3 1  51 ASN HD21 . .  5.730 4.246 2.559 5.573     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        535 1  47 GLU HG3 1  51 ASN HD22 . .  5.730 4.190 2.925 5.374     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        536 1  48 ARG H   1  49 TRP H    . .  3.300 2.338 1.727 3.288     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        537 1  48 ARG H   1  49 TRP HA   . .  6.000 4.658 4.006 5.447     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        538 1  48 ARG HA  1  48 ARG QD   . .  4.880 2.986 1.978 4.301     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        539 1  48 ARG HA  1  52 HIS HD2  . .  3.300 3.172 2.004 3.349 0.049 25 0 "[    .    1    .    2    .    3  ]" 1 
        540 1  48 ARG QD  1  52 HIS HE1  . .  6.380 4.937 3.561 5.736     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        541 1  49 TRP H   1  49 TRP HB2  . .  4.000 3.222 2.183 3.921     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        542 1  49 TRP H   1  49 TRP QB   . .  3.560 2.804 2.160 3.462     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        543 1  49 TRP H   1  49 TRP HB3  . .  4.000 3.286 2.521 3.854     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        544 1  49 TRP H   1  50 HIS H    . .  3.300 2.048 1.699 2.886     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        545 1  49 TRP HA  1  53 LEU H    . .  5.000 4.597 2.750 5.090 0.090 26 0 "[    .    1    .    2    .    3  ]" 1 
        546 1  49 TRP QB  1  50 HIS H    . .  4.000 3.275 2.306 3.941     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        547 1  50 HIS H   1  50 HIS HB2  . .  3.300 2.306 2.005 3.070     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        548 1  50 HIS H   1  50 HIS QB   . .  2.930 2.170 1.986 2.616     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        549 1  50 HIS H   1  50 HIS HB3  . .  3.300 2.923 2.314 3.471 0.171 13 0 "[    .    1    .    2    .    3  ]" 1 
        550 1  50 HIS H   1  51 ASN H    . .  4.000 2.697 1.963 3.663     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        551 1  50 HIS HA  1  50 HIS HD2  . .  4.500 3.825 2.816 4.701 0.201 28 0 "[    .    1    .    2    .    3  ]" 1 
        552 1  50 HIS HA  1  50 HIS HE1  . .  5.500 4.989 4.399 5.635 0.135 27 0 "[    .    1    .    2    .    3  ]" 1 
        553 1  50 HIS HA  1  51 ASN HD21 . .  5.000 4.576 3.834 5.154 0.154 12 0 "[    .    1    .    2    .    3  ]" 1 
        554 1  50 HIS HA  1  51 ASN HD22 . .  5.000 5.195 5.008 5.493 0.493 14 0 "[    .    1    .    2    .    3  ]" 1 
        555 1  50 HIS HB2 1  51 ASN H    . .  6.000 3.393 2.254 4.097     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        556 1  50 HIS HB3 1  51 ASN H    . .  6.000 2.620 1.865 3.732     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        557 1  51 ASN H   1  51 ASN HB2  . .  3.300 2.740 2.380 3.495 0.195 14 0 "[    .    1    .    2    .    3  ]" 1 
        558 1  51 ASN H   1  51 ASN QB   . .  2.930 2.629 2.347 2.941 0.011 17 0 "[    .    1    .    2    .    3  ]" 1 
        559 1  51 ASN H   1  51 ASN HB3  . .  3.300 3.592 2.965 3.725 0.425 25 0 "[    .    1    .    2    .    3  ]" 1 
        560 1  51 ASN H   1  52 HIS H    . .  4.000 3.490 1.920 4.274 0.274 15 0 "[    .    1    .    2    .    3  ]" 1 
        561 1  51 ASN HB2 1  51 ASN HD22 . .  4.000 3.649 3.548 4.151 0.151 14 0 "[    .    1    .    2    .    3  ]" 1 
        562 1  51 ASN HB3 1  51 ASN HD22 . .  4.000 4.119 3.591 4.158 0.158 17 0 "[    .    1    .    2    .    3  ]" 1 
        563 1  52 HIS H   1  53 LEU H    . .  3.300 2.615 1.858 3.514 0.214  3 0 "[    .    1    .    2    .    3  ]" 1 
        564 1  52 HIS HA  1  52 HIS HD2  . .  4.500 3.210 2.291 4.514 0.014 22 0 "[    .    1    .    2    .    3  ]" 1 
        565 1  52 HIS HA  1  52 HIS HE1  . .  5.500 5.240 4.457 5.575 0.075 25 0 "[    .    1    .    2    .    3  ]" 1 
        566 1  52 HIS QB  1  53 LEU H    . .  4.880 2.359 1.915 2.890     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        567 1  52 HIS HD2 1  54 ASN QB   . .  7.380 6.511 5.845 6.657     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        568 1  55 PRO HA  1  56 GLU H    . .  3.300 2.976 2.837 3.486 0.186 28 0 "[    .    1    .    2    .    3  ]" 1 
        569 1  55 PRO QD  1  56 GLU H    . .  4.880 4.271 2.484 4.619     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        570 1  56 GLU H   1  56 GLU HB2  . .  3.300 2.744 2.063 3.316 0.016 17 0 "[    .    1    .    2    .    3  ]" 1 
        571 1  56 GLU H   1  56 GLU HB3  . .  3.300 3.269 2.796 3.578 0.278 31 0 "[    .    1    .    2    .    3  ]" 1 
        572 1  56 GLU H   1  56 GLU HG2  . .  5.000 4.609 3.621 4.984     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        573 1  56 GLU H   1  56 GLU QG   . .  4.440 3.984 3.419 4.222     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        574 1  56 GLU H   1  56 GLU HG3  . .  5.000 4.393 3.549 4.701     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        575 1  56 GLU HA  1  56 GLU HG2  . .  4.000 2.718 2.004 3.441     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        576 1  56 GLU HA  1  56 GLU QG   . .  3.560 2.227 1.973 2.661     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        577 1  56 GLU HA  1  56 GLU HG3  . .  4.000 2.604 2.000 3.530     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        578 1  56 GLU HA  1  57 VAL H    . .  2.800 2.653 2.203 2.845 0.045 30 0 "[    .    1    .    2    .    3  ]" 1 
        579 1  57 VAL H   1  57 VAL HB   . .  2.800 2.325 2.079 2.737     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        580 1  57 VAL H   1  57 VAL MG1  . .  4.300 3.655 3.517 3.775     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        581 1  57 VAL H   1  57 VAL MG2  . .  4.300 2.447 1.905 3.103     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        582 1  57 VAL H   1  58 LYS H    . .  3.300 2.719 1.890 3.432 0.132  5 0 "[    .    1    .    2    .    3  ]" 1 
        583 1  57 VAL HA  1  57 VAL HB   . .  2.800 3.004 2.972 3.025 0.225  3 0 "[    .    1    .    2    .    3  ]" 1 
        584 1  57 VAL HA  1  58 LYS H    . .  3.300 3.406 2.969 3.628 0.328 27 0 "[    .    1    .    2    .    3  ]" 1 
        585 1  57 VAL HB  1  58 LYS H    . .  4.000 3.085 1.880 4.173 0.173 22 0 "[    .    1    .    2    .    3  ]" 1 
        586 1  57 VAL MG1 1  58 LYS HA   . .  7.500 4.433 3.172 5.584     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        587 1  57 VAL MG1 1  67 ASP HA   . .  6.500 5.240 4.972 5.404     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        588 1  57 VAL MG2 1  58 LYS HA   . .  7.500 5.714 5.206 6.041     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        589 1  57 VAL MG2 1  67 ASP HA   . .  6.500 5.096 4.303 5.381     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        590 1  58 LYS HA  1  58 LYS QD   . .  5.000 3.607 2.111 4.400     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        591 1  58 LYS HA  1  58 LYS HG2  . .  4.000 2.763 1.946 3.815     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        592 1  58 LYS HA  1  58 LYS QG   . .  3.560 2.285 1.924 3.314     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        593 1  58 LYS HA  1  58 LYS HG3  . .  4.000 2.803 1.978 3.897     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        594 1  58 LYS HA  1  59 LYS H    . .  2.800 2.550 2.232 2.892 0.092  1 0 "[    .    1    .    2    .    3  ]" 1 
        595 1  59 LYS H   1  59 LYS HA   . .  2.800 2.534 2.208 2.923 0.123 11 0 "[    .    1    .    2    .    3  ]" 1 
        596 1  59 LYS H   1  59 LYS HB2  . .  4.000 3.009 2.016 3.893     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        597 1  59 LYS H   1  59 LYS QB   . .  3.340 2.614 1.997 3.169     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        598 1  59 LYS H   1  59 LYS HB3  . .  4.000 3.326 2.544 4.019 0.019 12 0 "[    .    1    .    2    .    3  ]" 1 
        599 1  59 LYS H   1  59 LYS QD   . .  4.300 3.151 1.975 3.872     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        600 1  59 LYS H   1  59 LYS QG   . .  5.000 3.207 1.915 4.002     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        601 1  59 LYS HA  1  59 LYS HB2  . .  2.800 2.722 2.326 2.901 0.101 30 0 "[    .    1    .    2    .    3  ]" 1 
        602 1  59 LYS HA  1  59 LYS HB3  . .  2.800 2.688 2.220 2.950 0.150 21 0 "[    .    1    .    2    .    3  ]" 1 
        603 1  59 LYS HA  1  59 LYS QD   . .  4.300 3.140 1.915 3.924     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        604 1  59 LYS QB  1  60 SER H    . .  4.780 2.988 1.847 4.038     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        605 1  60 SER H   1  60 SER HB2  . .  4.000 3.317 2.025 3.996     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        606 1  60 SER H   1  60 SER HB3  . .  4.000 3.237 2.212 3.994     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        607 1  60 SER HA  1  60 SER HB2  . .  2.800 2.644 2.304 2.999 0.199 31 0 "[    .    1    .    2    .    3  ]" 1 
        608 1  60 SER HA  1  60 SER HB3  . .  2.800 2.644 2.279 2.983 0.183  8 0 "[    .    1    .    2    .    3  ]" 1 
        609 1  61 SER H   1  61 SER HA   . .  2.800 2.494 2.173 2.918 0.118 29 0 "[    .    1    .    2    .    3  ]" 1 
        610 1  61 SER HA  1  62 TRP H    . .  2.800 3.007 2.584 3.118 0.318 27 0 "[    .    1    .    2    .    3  ]" 1 
        611 1  61 SER QB  1  62 TRP H    . .  4.300 2.265 1.821 4.004     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        612 1  61 SER QB  1  62 TRP HE1  . .  6.000 4.752 4.213 5.390     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        613 1  62 TRP H   1  62 TRP HB2  . .  2.800 2.542 2.410 2.652     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        614 1  62 TRP H   1  62 TRP HB3  . .  3.300 3.562 3.542 3.667 0.367 17 0 "[    .    1    .    2    .    3  ]" 1 
        615 1  62 TRP H   1  62 TRP HE1  . .  5.000 4.555 4.312 5.165 0.165  6 0 "[    .    1    .    2    .    3  ]" 1 
        616 1  62 TRP HA  1  62 TRP HD1  . .  4.000 4.308 4.208 4.408 0.408 14 0 "[    .    1    .    2    .    3  ]" 1 
        617 1  62 TRP HA  1  62 TRP HE3  . .  2.800 2.950 2.924 2.985 0.185 17 0 "[    .    1    .    2    .    3  ]" 1 
        618 1  62 TRP HA  1  62 TRP HZ3  . .  5.000 5.105 5.058 5.132 0.132 25 0 "[    .    1    .    2    .    3  ]" 1 
        619 1  62 TRP HA  1  63 THR H    . .  2.800 2.650 2.579 2.813 0.013  6 0 "[    .    1    .    2    .    3  ]" 1 
        620 1  62 TRP HB2 1  62 TRP HE1  . .  5.000 4.942 4.939 4.945     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        621 1  62 TRP HB2 1  63 THR H    . .  3.300 3.257 2.986 3.349 0.049 12 0 "[    .    1    .    2    .    3  ]" 1 
        622 1  62 TRP HB3 1  62 TRP HE3  . .  4.000 2.550 2.538 2.568     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        623 1  62 TRP HB3 1  63 THR H    . .  5.000 2.228 1.962 2.365     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        624 1  62 TRP HD1 1  99 HIS HD2  . .  6.000 4.747 4.346 5.396     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        625 1  62 TRP HD1 1  99 HIS HE1  . .  3.300 3.319 3.150 3.362 0.062 27 0 "[    .    1    .    2    .    3  ]" 1 
        626 1  62 TRP HE3 1  63 THR H    . .  5.000 3.576 3.217 3.919     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        627 1  62 TRP HE3 1  66 GLU HA   . .  5.000 5.022 4.781 5.114 0.114 18 0 "[    .    1    .    2    .    3  ]" 1 
        628 1  62 TRP HE3 1  66 GLU HB3  . .  4.000 2.556 2.335 2.740     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        629 1  62 TRP HH2 1  70 ILE MD   . .  4.300 3.283 3.132 3.498     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        630 1  62 TRP HH2 1  85 ALA HA   . .  5.000 5.053 4.896 5.194 0.194 15 0 "[    .    1    .    2    .    3  ]" 1 
        631 1  62 TRP HH2 1  85 ALA MB   . .  5.500 4.291 3.905 4.503     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        632 1  62 TRP HH2 1  91 ARG HA   . .  5.000 4.831 4.176 5.152 0.152 25 0 "[    .    1    .    2    .    3  ]" 1 
        633 1  62 TRP HH2 1  91 ARG HB2  . .  4.000 3.625 2.865 4.277 0.277 29 0 "[    .    1    .    2    .    3  ]" 1 
        634 1  62 TRP HH2 1  91 ARG HB3  . .  4.000 2.588 1.987 3.507     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        635 1  62 TRP HH2 1  91 ARG QD   . .  4.880 3.196 2.153 4.010     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        636 1  62 TRP HH2 1  95 ALA HA   . .  5.000 4.542 4.263 4.735     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        637 1  62 TRP HH2 1  95 ALA MB   . .  3.300 2.326 2.061 2.625     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        638 1  62 TRP HH2 1  96 VAL HA   . .  2.800 2.518 2.437 2.624     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        639 1  62 TRP HH2 1  96 VAL MG1  . .  7.500 3.754 3.591 3.910     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        640 1  62 TRP HH2 1  96 VAL MG2  . .  4.300 1.790 1.758 1.867     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        641 1  62 TRP HH2 1  99 HIS HD2  . .  5.500 4.280 3.966 4.558     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        642 1  62 TRP HZ2 1  70 ILE MD   . .  5.500 4.518 4.337 4.699     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        643 1  62 TRP HZ2 1  91 ARG QD   . .  4.880 3.635 2.887 4.443     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        644 1  62 TRP HZ2 1  95 ALA HA   . .  4.000 3.335 3.183 3.536     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        645 1  62 TRP HZ2 1  95 ALA MB   . .  3.800 2.622 2.302 2.965     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        646 1  62 TRP HZ2 1  96 VAL HA   . .  2.800 2.677 2.488 2.834 0.034 28 0 "[    .    1    .    2    .    3  ]" 1 
        647 1  62 TRP HZ2 1  96 VAL MG2  . .  5.500 3.628 3.540 3.754     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        648 1  62 TRP HZ3 1  70 ILE MD   . .  4.800 2.273 2.004 2.643     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        649 1  62 TRP HZ3 1  85 ALA HA   . .  5.000 4.816 4.536 5.053 0.053 14 0 "[    .    1    .    2    .    3  ]" 1 
        650 1  62 TRP HZ3 1  91 ARG HA   . .  6.000 5.435 4.758 6.023 0.023 23 0 "[    .    1    .    2    .    3  ]" 1 
        651 1  62 TRP HZ3 1  95 ALA MB   . .  5.500 4.184 3.927 4.454     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        652 1  62 TRP HZ3 1  96 VAL HA   . .  4.000 4.173 4.113 4.244 0.244 29 0 "[    .    1    .    2    .    3  ]" 1 
        653 1  62 TRP HZ3 1  96 VAL MG2  . .  4.800 2.412 2.188 2.548     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        654 1  62 TRP HZ3 1  99 HIS HD2  . .  5.500 4.016 3.674 4.495     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        655 1  63 THR H   1  63 THR MG   . .  4.800 2.975 2.357 4.026     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        656 1  63 THR HA  1  63 THR HB   . .  2.800 2.576 2.377 3.053 0.253 14 0 "[    .    1    .    2    .    3  ]" 1 
        657 1  63 THR HA  1  64 GLU H    . .  2.800 2.878 2.759 3.206 0.406 14 0 "[    .    1    .    2    .    3  ]" 1 
        658 1  63 THR HB  1  64 GLU H    . .  2.800 2.053 1.871 2.674     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        659 1  63 THR MG  1  64 GLU H    . .  4.300 3.423 1.910 3.761     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        660 1  64 GLU H   1  64 GLU HA   . .  2.800 2.841 2.817 2.891 0.091 14 0 "[    .    1    .    2    .    3  ]" 1 
        661 1  64 GLU H   1  64 GLU QB   . .  3.800 2.142 2.105 2.208     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        662 1  64 GLU H   1  64 GLU HG2  . .  4.000 3.274 2.893 3.967     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        663 1  64 GLU H   1  64 GLU QG   . .  3.560 2.949 2.809 3.117     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        664 1  64 GLU H   1  64 GLU HG3  . .  4.000 3.523 2.984 3.868     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        665 1  64 GLU H   1  65 GLU H    . .  2.800 2.958 2.755 3.024 0.224 30 0 "[    .    1    .    2    .    3  ]" 1 
        666 1  64 GLU HA  1  64 GLU HG2  . .  4.000 2.263 2.044 2.543     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        667 1  64 GLU HA  1  64 GLU HG3  . .  4.000 3.420 2.745 3.616     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        668 1  64 GLU HA  1  67 ASP H    . .  3.300 3.365 3.319 3.537 0.237 14 0 "[    .    1    .    2    .    3  ]" 1 
        669 1  64 GLU HA  1  67 ASP HB2  . .  4.000 2.933 2.428 3.181     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        670 1  64 GLU HA  1  67 ASP HB3  . .  4.000 3.606 3.156 3.890     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        671 1  64 GLU QB  1  65 GLU HA   . .  5.000 3.617 3.591 3.636     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        672 1  64 GLU QB  1  65 GLU QB   . .  4.800 4.051 3.960 4.161     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        673 1  64 GLU QB  1  65 GLU HG2  . .  3.800 3.469 3.431 3.510     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        674 1  64 GLU QB  1  65 GLU HG3  . .  3.800 3.502 3.464 3.537     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        675 1  64 GLU O   1  68 ARG H    . .  2.300 2.149 1.882 2.349 0.049  7 0 "[    .    1    .    2    .    3  ]" 1 
        676 1  64 GLU O   1  68 ARG N    . .  3.300 3.060 2.830 3.211     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        677 1  65 GLU H   1  65 GLU HA   . .  2.800 2.674 2.645 2.694     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        678 1  65 GLU H   1  65 GLU QB   . .  3.800 2.588 2.457 2.747     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        679 1  65 GLU H   1  66 GLU H    . .  3.300 2.893 2.817 3.240     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        680 1  65 GLU HA  1  65 GLU HG2  . .  4.000 2.843 2.273 3.784     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        681 1  65 GLU HA  1  65 GLU HG3  . .  4.000 3.465 3.428 3.521     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        682 1  65 GLU HA  1  68 ARG QB   . .  4.880 2.806 2.376 3.904     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        683 1  65 GLU QG  1  69 ILE MD   . .  6.380 4.342 3.884 4.644     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        684 1  65 GLU O   1  69 ILE H    . .  2.300 1.877 1.732 2.090     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        685 1  65 GLU O   1  69 ILE N    . .  3.300 2.842 2.669 3.057     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        686 1  66 GLU H   1  66 GLU HB2  . .  2.800 2.278 2.202 2.378     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        687 1  66 GLU H   1  66 GLU HB3  . .  4.000 3.513 3.481 3.538     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        688 1  66 GLU H   1  66 GLU HG2  . .  3.300 3.180 2.776 3.330 0.030  5 0 "[    .    1    .    2    .    3  ]" 1 
        689 1  66 GLU H   1  66 GLU QG   . .  2.930 2.587 2.290 2.761     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        690 1  66 GLU H   1  66 GLU HG3  . .  3.300 2.771 2.338 3.069     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        691 1  66 GLU HA  1  69 ILE HB   . .  5.000 2.684 2.385 2.929     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        692 1  66 GLU HA  1  69 ILE MD   . .  5.500 2.531 2.019 3.172     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        693 1  66 GLU HA  1  69 ILE MG   . .  5.500 3.882 3.565 4.132     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        694 1  66 GLU O   1  70 ILE H    . .  2.300 2.276 2.009 2.400 0.100  7 0 "[    .    1    .    2    .    3  ]" 1 
        695 1  66 GLU O   1  70 ILE N    . .  3.300 3.213 3.000 3.314 0.014  9 0 "[    .    1    .    2    .    3  ]" 1 
        696 1  67 ASP H   1  67 ASP HA   . .  2.800 2.772 2.736 2.831 0.031 15 0 "[    .    1    .    2    .    3  ]" 1 
        697 1  67 ASP H   1  67 ASP HB2  . .  2.800 2.132 2.104 2.267     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        698 1  67 ASP H   1  67 ASP HB3  . .  2.800 2.854 2.727 2.889 0.089 14 0 "[    .    1    .    2    .    3  ]" 1 
        699 1  67 ASP H   1  68 ARG H    . .  2.800 2.702 2.590 2.814 0.014 19 0 "[    .    1    .    2    .    3  ]" 1 
        700 1  67 ASP HA  1  70 ILE H    . .  5.000 4.007 3.711 4.413     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        701 1  67 ASP HA  1  70 ILE HB   . .  4.000 3.322 3.074 3.533     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        702 1  67 ASP HA  1  70 ILE MD   . .  5.500 4.027 3.262 4.556     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        703 1  67 ASP HA  1  70 ILE MG   . .  5.500 4.469 4.184 4.610     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        704 1  67 ASP HA  1  99 HIS HD2  . .  4.500 4.255 3.896 4.551 0.051 10 0 "[    .    1    .    2    .    3  ]" 1 
        705 1  67 ASP HA  1 104 ILE MD   . .  5.500 3.281 2.601 3.715     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        706 1  67 ASP QB  1  68 ARG QG   . .  7.750 3.166 2.787 3.656     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        707 1  67 ASP QB  1 104 ILE MD   . .  6.960 4.319 3.404 4.983     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        708 1  67 ASP HB2 1  68 ARG H    . .  3.300 3.347 3.235 3.387 0.087  9 0 "[    .    1    .    2    .    3  ]" 1 
        709 1  67 ASP HB2 1 104 ILE MD   . .  7.500 4.776 3.709 5.539     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        710 1  67 ASP HB3 1  68 ARG H    . .  3.300 2.316 2.027 2.499     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        711 1  67 ASP HB3 1 104 ILE MD   . .  7.500 4.936 3.956 5.748     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        712 1  67 ASP O   1  71 PHE H    . .  2.300 1.964 1.702 2.291     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        713 1  67 ASP O   1  71 PHE N    . .  3.300 2.922 2.658 3.258     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        714 1  68 ARG H   1  68 ARG HA   . .  2.800 2.731 2.712 2.764     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        715 1  68 ARG H   1  68 ARG QB   . .  3.460 2.350 2.115 2.512     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        716 1  68 ARG H   1  68 ARG HG2  . .  3.300 2.583 1.921 3.297     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        717 1  68 ARG H   1  68 ARG HG3  . .  3.300 3.007 2.360 3.364 0.064  7 0 "[    .    1    .    2    .    3  ]" 1 
        718 1  68 ARG HA  1  68 ARG HE   . .  4.000 3.128 1.940 4.143 0.143 15 0 "[    .    1    .    2    .    3  ]" 1 
        719 1  68 ARG HA  1  68 ARG HG2  . .  4.000 2.462 2.041 3.625     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        720 1  68 ARG HA  1  68 ARG HG3  . .  4.000 3.564 3.151 3.891     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        721 1  68 ARG HA  1  71 PHE HB2  . .  4.000 3.757 3.245 4.106 0.106 11 0 "[    .    1    .    2    .    3  ]" 1 
        722 1  68 ARG HA  1  71 PHE HB3  . .  4.000 2.354 2.022 2.632     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        723 1  68 ARG QB  1  68 ARG HE   . .  3.560 2.397 1.913 3.153     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        724 1  68 ARG HB2 1  68 ARG HE   . .  4.000 3.734 3.203 4.035 0.035  2 0 "[    .    1    .    2    .    3  ]" 1 
        725 1  68 ARG HB3 1  68 ARG HE   . .  4.000 2.432 1.924 3.293     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        726 1  68 ARG HD2 1  68 ARG HE   . .  2.800 2.810 2.333 2.905 0.105 15 0 "[    .    1    .    2    .    3  ]" 1 
        727 1  68 ARG HD3 1  68 ARG HE   . .  2.800 2.839 2.333 2.897 0.097  9 0 "[    .    1    .    2    .    3  ]" 1 
        728 1  68 ARG HE  1  68 ARG HG2  . .  4.000 2.857 2.327 4.057 0.057  9 0 "[    .    1    .    2    .    3  ]" 1 
        729 1  68 ARG HE  1  68 ARG HG3  . .  4.000 3.408 2.523 4.040 0.040 23 0 "[    .    1    .    2    .    3  ]" 1 
        730 1  68 ARG O   1  72 GLU H    . .  2.300 1.862 1.676 2.238     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        731 1  68 ARG O   1  72 GLU N    . .  3.300 2.582 2.447 2.989     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        732 1  69 ILE H   1  69 ILE HB   . .  2.800 2.449 2.284 2.515     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        733 1  69 ILE H   1  69 ILE HG12 . .  3.300 3.368 3.281 3.424 0.124 15 0 "[    .    1    .    2    .    3  ]" 1 
        734 1  69 ILE H   1  69 ILE HG13 . .  3.300 2.016 1.922 2.287     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        735 1  69 ILE H   1  70 ILE H    . .  4.000 3.149 2.992 3.309     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        736 1  69 ILE HA  1  69 ILE MD   . .  4.800 3.809 3.733 3.841     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        737 1  69 ILE HA  1  69 ILE HG12 . .  4.000 2.528 2.348 2.674     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        738 1  69 ILE HA  1  69 ILE HG13 . .  4.000 2.789 2.680 2.942     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        739 1  69 ILE HA  1  72 GLU QB   . .  5.000 2.815 2.068 4.214     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        740 1  69 ILE HB  1  70 ILE MD   . .  5.500 4.639 4.539 4.733     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        741 1  69 ILE HB  1  88 LEU QD   . .  7.070 2.747 1.901 3.728     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        742 1  69 ILE MD  1  70 ILE QG   . .  6.380 4.386 4.216 4.553     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        743 1  69 ILE QG  1  70 ILE H    . .  5.880 4.141 4.059 4.238     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        744 1  69 ILE MG  1  70 ILE HA   . .  4.500 3.217 2.848 3.554     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        745 1  69 ILE MG  1  70 ILE MD   . .  6.300 4.107 3.900 4.312     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        746 1  69 ILE MG  1  70 ILE QG   . .  5.380 3.056 2.685 3.378     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        747 1  69 ILE MG  1  73 ALA MB   . .  5.800 2.880 2.173 3.427     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        748 1  69 ILE MG  1  87 LEU HB2  . .  5.500 3.574 2.406 4.647     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        749 1  69 ILE MG  1  87 LEU QB   . .  5.090 2.805 1.799 3.827     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        750 1  69 ILE MG  1  87 LEU HB3  . .  5.500 2.954 1.858 4.377     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        751 1  69 ILE O   1  73 ALA H    . .  2.300 1.932 1.526 2.354 0.054 26 0 "[    .    1    .    2    .    3  ]" 1 
        752 1  69 ILE O   1  73 ALA N    . .  3.300 2.629 2.432 2.831     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        753 1  70 ILE H   1  70 ILE HB   . .  2.800 2.530 2.506 2.579     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        754 1  70 ILE H   1  70 ILE MD   . .  4.300 3.598 3.452 3.709     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        755 1  70 ILE H   1  70 ILE HG12 . .  2.800 2.408 1.915 3.064 0.264  2 0 "[    .    1    .    2    .    3  ]" 1 
        756 1  70 ILE H   1  70 ILE HG13 . .  2.800 2.395 1.815 2.883 0.083  4 0 "[    .    1    .    2    .    3  ]" 1 
        757 1  70 ILE H   1  70 ILE MG   . .  4.800 3.709 3.703 3.718     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        758 1  70 ILE HA  1  70 ILE MD   . .  4.800 3.185 2.602 3.809     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        759 1  70 ILE HA  1  70 ILE QG   . .  3.710 2.492 2.352 2.595     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        760 1  70 ILE HA  1  73 ALA MB   . .  4.300 2.520 1.914 3.014     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        761 1  70 ILE HA  1  74 HIS H    . .  4.000 3.991 3.490 4.102 0.102 19 0 "[    .    1    .    2    .    3  ]" 1 
        762 1  70 ILE HB  1  71 PHE H    . .  2.800 2.317 2.088 2.654     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        763 1  70 ILE HB  1 104 ILE MD   . .  5.500 3.418 3.038 3.858     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        764 1  70 ILE MD  1  71 PHE H    . .  5.500 4.631 4.414 4.756     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        765 1  70 ILE MD  1  73 ALA MB   . .  7.000 4.602 4.297 4.877     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        766 1  70 ILE MD  1  95 ALA MB   . .  7.000 4.775 4.715 4.854     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        767 1  70 ILE MD  1  96 VAL HA   . .  6.500 3.093 2.858 3.414     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        768 1  70 ILE MD  1  96 VAL MG1  . .  5.800 1.786 1.674 2.279     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        769 1  70 ILE MD  1  96 VAL MG2  . .  5.800 1.913 1.699 2.092     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        770 1  70 ILE MD  1  99 HIS HD2  . .  4.800 2.435 1.870 2.924     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        771 1  70 ILE MD  1 104 ILE MD   . .  6.300 3.640 3.101 4.179     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        772 1  70 ILE MD  1 104 ILE MG   . .  8.000 5.027 4.391 5.339     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        773 1  70 ILE QG  1  71 PHE H    . .  5.880 3.858 3.731 4.039     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        774 1  70 ILE QG  1  72 GLU H    . .  6.880 5.073 4.876 5.617     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        775 1  70 ILE QG  1  73 ALA MB   . .  6.880 4.225 3.284 4.828     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        776 1  70 ILE QG  1  84 ILE MG   . .  7.380 3.064 1.839 4.358     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        777 1  70 ILE QG  1  99 HIS HD2  . .  5.380 3.748 2.839 4.852     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        778 1  70 ILE MG  1  71 PHE CG   . .  7.500 5.838 5.666 6.065     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        779 1  70 ILE MG  1  71 PHE HA   . .  6.500 3.461 3.309 3.646     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        780 1  70 ILE MG  1  73 ALA MB   . .  6.500 3.768 3.064 4.256     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        781 1  70 ILE MG  1  74 HIS H    . .  6.500 4.101 3.670 4.396     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        782 1  70 ILE MG  1  74 HIS HB3  . .  6.500 4.451 4.086 4.886     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        783 1  70 ILE MG  1  81 TRP HZ3  . .  4.800 3.032 2.638 3.371     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        784 1  70 ILE MG  1  84 ILE MD   . .  7.000 3.430 2.686 4.534     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        785 1  70 ILE MG  1  96 VAL MG1  . .  6.300 1.753 1.627 1.867     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        786 1  70 ILE MG  1  96 VAL MG2  . .  7.000 3.271 2.655 3.540     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        787 1  70 ILE MG  1  99 HIS HD2  . .  7.000 3.273 2.569 3.859     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        788 1  70 ILE MG  1 100 TRP HE3  . .  4.800 2.845 2.305 3.433     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        789 1  70 ILE MG  1 100 TRP HZ3  . .  6.500 2.300 1.936 2.836     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        790 1  70 ILE MG  1 104 ILE MD   . .  6.300 2.944 2.313 3.984     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        791 1  70 ILE MG  1 104 ILE MG   . .  7.000 3.463 2.841 4.004     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        792 1  71 PHE CG  1 100 TRP HZ3  . .  5.300 5.177 4.472 5.389 0.089  2 0 "[    .    1    .    2    .    3  ]" 1 
        793 1  71 PHE H   1  71 PHE HA   . .  2.800 2.739 2.694 2.808 0.008  1 0 "[    .    1    .    2    .    3  ]" 1 
        794 1  71 PHE H   1  71 PHE HB2  . .  2.800 2.591 2.457 2.860 0.060 11 0 "[    .    1    .    2    .    3  ]" 1 
        795 1  71 PHE H   1  71 PHE HB3  . .  2.800 2.147 1.945 2.252     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        796 1  71 PHE H   1  72 GLU H    . .  2.800 2.795 2.630 2.937 0.137 12 0 "[    .    1    .    2    .    3  ]" 1 
        797 1  71 PHE HA  1 100 TRP HZ3  . .  3.300 2.829 2.179 3.393 0.093 19 0 "[    .    1    .    2    .    3  ]" 1 
        798 1  71 PHE HA  1 104 ILE MG   . .  6.500 3.593 2.636 4.260     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        799 1  71 PHE QB  1  72 GLU H    . .  3.680 2.994 2.318 3.166     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        800 1  71 PHE QB  1 100 TRP HZ3  . .  4.440 3.382 2.490 3.790     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        801 1  71 PHE HB2 1 100 TRP HZ3  . .  5.000 3.477 2.525 3.917     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        802 1  71 PHE HB2 1 104 ILE MG   . .  5.500 3.142 2.642 3.446     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        803 1  71 PHE HB3 1 100 TRP HZ3  . .  5.000 4.652 3.791 5.046 0.046  1 0 "[    .    1    .    2    .    3  ]" 1 
        804 1  71 PHE HB3 1 104 ILE MG   . .  5.500 4.446 3.897 4.611     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        805 1  71 PHE QE  1  72 GLU QB   . .  5.500 4.449 3.285 4.904     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        806 1  72 GLU H   1  72 GLU HA   . .  2.800 2.867 2.727 2.917 0.117  3 0 "[    .    1    .    2    .    3  ]" 1 
        807 1  72 GLU H   1  72 GLU QB   . .  3.800 2.302 2.042 2.977     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        808 1  72 GLU H   1  72 GLU QG   . .  3.800 3.046 2.066 3.592     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        809 1  72 GLU H   1  73 ALA H    . .  2.800 2.448 2.037 2.854 0.054 18 0 "[    .    1    .    2    .    3  ]" 1 
        810 1  72 GLU H   1  74 HIS H    . .  5.000 3.663 3.355 4.264     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        811 1  72 GLU HA  1  75 LYS QE   . .  4.880 3.442 1.778 4.389     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        812 1  73 ALA H   1  73 ALA HA   . .  2.800 2.825 2.700 2.942 0.142  1 0 "[    .    1    .    2    .    3  ]" 1 
        813 1  73 ALA H   1  74 HIS H    . .  3.300 2.410 1.761 2.833     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        814 1  73 ALA HA  1  76 VAL HB   . .  4.000 2.841 1.987 3.291     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        815 1  73 ALA HA  1  76 VAL MG1  . .  4.800 3.915 3.345 4.071     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        816 1  73 ALA HA  1  76 VAL MG2  . .  5.500 1.902 1.753 2.404     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        817 1  73 ALA MB  1  74 HIS H    . .  3.800 2.914 2.615 3.190     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        818 1  73 ALA MB  1  74 HIS HA   . .  6.000 3.911 3.827 4.016     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        819 1  73 ALA MB  1  76 VAL MG1  . .  7.500 4.687 4.224 4.896     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        820 1  73 ALA MB  1  76 VAL MG2  . .  6.500 3.382 3.142 3.768     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        821 1  73 ALA MB  1  77 LEU QD   . .  8.370 2.400 1.882 3.015     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        822 1  73 ALA MB  1  84 ILE HA   . .  5.000 2.860 2.347 3.486     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        823 1  73 ALA MB  1  84 ILE HB   . .  6.500 4.494 4.025 4.800     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        824 1  73 ALA MB  1  84 ILE MD   . .  5.300 2.022 1.622 3.312     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        825 1  73 ALA MB  1  84 ILE HG12 . .  5.500 3.368 2.575 3.915     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        826 1  73 ALA MB  1  84 ILE QG   . .  4.730 2.803 1.752 3.506     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        827 1  73 ALA MB  1  84 ILE HG13 . .  5.500 3.236 1.764 4.164     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        828 1  73 ALA MB  1  84 ILE MG   . .  5.300 3.050 2.430 3.612     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        829 1  73 ALA MB  1  87 LEU HB2  . .  6.500 4.012 2.944 5.273     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        830 1  73 ALA MB  1  87 LEU HB3  . .  6.500 4.361 3.149 5.431     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        831 1  74 HIS H   1  74 HIS HA   . .  2.800 2.832 2.772 2.895 0.095  9 0 "[    .    1    .    2    .    3  ]" 1 
        832 1  74 HIS H   1  74 HIS HB2  . .  2.800 2.301 2.152 2.499     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        833 1  74 HIS H   1  74 HIS HB3  . .  2.800 2.696 2.530 2.815 0.015 11 0 "[    .    1    .    2    .    3  ]" 1 
        834 1  74 HIS H   1  75 LYS H    . .  2.800 2.496 2.200 2.724     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        835 1  74 HIS HA  1  74 HIS HD2  . .  3.300 3.022 2.766 3.159     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        836 1  74 HIS HA  1  74 HIS HE1  . .  6.500 5.452 5.335 5.647     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        837 1  74 HIS HA  1  77 LEU H    . .  5.000 3.442 3.341 3.566     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        838 1  74 HIS HA  1  78 GLY H    . .  2.800 2.834 2.603 2.973 0.173  3 0 "[    .    1    .    2    .    3  ]" 1 
        839 1  74 HIS HA  1  81 TRP HZ3  . .  5.000 4.750 4.465 4.974     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        840 1  74 HIS HA  1  84 ILE MD   . .  4.800 2.429 1.922 2.907     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        841 1  74 HIS HB2 1  75 LYS H    . .  4.000 4.012 3.690 4.119 0.119 31 0 "[    .    1    .    2    .    3  ]" 1 
        842 1  74 HIS HB2 1  84 ILE MD   . .  7.500 3.087 2.389 3.666     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        843 1  74 HIS HB3 1  84 ILE MD   . .  5.500 4.279 3.698 4.539     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        844 1  74 HIS HD2 1  77 LEU QD   . .  7.570 5.051 4.616 5.164     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        845 1  74 HIS HD2 1  78 GLY QA   . .  5.380 4.409 4.181 4.758     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        846 1  74 HIS HD2 1  79 ASN HA   . .  3.300 2.643 1.996 3.218     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        847 1  74 HIS HD2 1  81 TRP HB3  . .  6.000 6.077 5.923 6.175 0.175 11 0 "[    .    1    .    2    .    3  ]" 1 
        848 1  74 HIS HD2 1  81 TRP HD1  . .  7.000 6.749 6.395 7.081 0.081 30 0 "[    .    1    .    2    .    3  ]" 1 
        849 1  74 HIS HD2 1  81 TRP HH2  . .  3.300 2.852 2.709 2.968     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        850 1  74 HIS HD2 1  81 TRP HZ3  . .  3.300 2.260 1.988 2.639     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        851 1  74 HIS HD2 1  84 ILE HG12 . .  4.500 4.046 3.000 4.662 0.162  9 0 "[    .    1    .    2    .    3  ]" 1 
        852 1  74 HIS HD2 1  84 ILE QG   . .  3.850 3.177 2.963 3.327     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        853 1  74 HIS HD2 1  84 ILE HG13 . .  4.500 3.813 3.188 4.706 0.206 18 0 "[    .    1    .    2    .    3  ]" 1 
        854 1  74 HIS HD2 1  84 ILE MG   . .  7.000 4.236 3.577 4.798     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        855 1  74 HIS HD2 1  96 VAL MG1  . .  7.000 4.238 3.944 4.647     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        856 1  74 HIS HD2 1 100 TRP HD1  . .  5.500 5.592 5.474 5.667 0.167 21 0 "[    .    1    .    2    .    3  ]" 1 
        857 1  74 HIS HD2 1 100 TRP HZ3  . .  6.500 5.791 5.240 6.289     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        858 1  74 HIS HE1 1  78 GLY QA   . .  5.380 4.289 3.784 4.713     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        859 1  74 HIS HE1 1  81 TRP HH2  . .  5.500 3.572 3.366 3.659     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        860 1  75 LYS H   1  75 LYS HA   . .  2.800 2.919 2.865 2.933 0.133 24 0 "[    .    1    .    2    .    3  ]" 1 
        861 1  75 LYS H   1  75 LYS QB   . .  3.800 2.576 2.320 2.977     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        862 1  75 LYS H   1  75 LYS QD   . .  5.000 3.803 3.517 4.406     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        863 1  75 LYS H   1  75 LYS HG2  . .  4.000 2.427 1.948 2.907     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        864 1  75 LYS H   1  75 LYS QG   . .  3.340 2.357 1.840 2.848     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        865 1  75 LYS H   1  75 LYS HG3  . .  4.000 3.410 1.973 4.098 0.098 17 0 "[    .    1    .    2    .    3  ]" 1 
        866 1  75 LYS H   1  76 VAL H    . .  2.800 2.473 2.305 2.633     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        867 1  75 LYS H   1  77 LEU H    . .  4.000 4.073 3.946 4.166 0.166 26 0 "[    .    1    .    2    .    3  ]" 1 
        868 1  75 LYS HA  1  75 LYS QD   . .  5.000 4.317 4.236 4.421     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        869 1  75 LYS HA  1  75 LYS HG2  . .  4.000 3.699 3.577 3.869     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        870 1  75 LYS HA  1  75 LYS QG   . .  3.560 3.255 3.151 3.324     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        871 1  75 LYS HA  1  75 LYS HG3  . .  4.000 3.615 3.440 3.751     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        872 1  75 LYS QB  1  76 VAL H    . .  4.300 4.019 3.920 4.080     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        873 1  75 LYS QB  1  76 VAL MG1  . .  7.500 5.628 5.397 5.824     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        874 1  75 LYS QB  1  76 VAL MG2  . .  6.500 3.808 3.625 3.975     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        875 1  75 LYS QG  1  76 VAL MG1  . .  7.380 4.277 3.981 4.884     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        876 1  76 VAL H   1  76 VAL HA   . .  2.800 2.938 2.923 2.941 0.141 15 0 "[    .    1    .    2    .    3  ]" 1 
        877 1  76 VAL H   1  76 VAL HB   . .  2.800 2.786 2.624 2.939 0.139 24 0 "[    .    1    .    2    .    3  ]" 1 
        878 1  76 VAL H   1  76 VAL MG2  . .  4.300 2.313 1.974 2.614     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        879 1  76 VAL H   1  77 LEU H    . .  2.800 1.870 1.796 2.010     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        880 1  76 VAL H   1  78 GLY H    . .  4.000 3.871 3.355 4.052 0.052 27 0 "[    .    1    .    2    .    3  ]" 1 
        881 1  76 VAL HA  1  77 LEU H    . .  3.300 3.555 3.435 3.620 0.320 12 0 "[    .    1    .    2    .    3  ]" 1 
        882 1  76 VAL HA  1  78 GLY H    . .  6.000 5.913 5.213 6.080 0.080 14 0 "[    .    1    .    2    .    3  ]" 1 
        883 1  76 VAL HB  1  77 LEU H    . .  3.300 2.926 2.533 3.374 0.074 18 0 "[    .    1    .    2    .    3  ]" 1 
        884 1  76 VAL HB  1  77 LEU QD   . .  8.070 2.635 2.084 3.141     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        885 1  76 VAL HB  1  78 GLY H    . .  5.000 5.149 5.009 5.364 0.364 27 0 "[    .    1    .    2    .    3  ]" 1 
        886 1  76 VAL MG1 1  77 LEU H    . .  5.500 4.050 3.722 4.248     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        887 1  76 VAL MG2 1  77 LEU MD1  . .  7.000 3.612 3.054 4.455     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        888 1  76 VAL MG2 1  77 LEU QD   . .  6.230 3.484 3.022 3.990     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        889 1  76 VAL MG2 1  77 LEU MD2  . .  7.000 4.797 4.308 4.906     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        890 1  76 VAL MG2 1  77 LEU HG   . .  4.800 4.062 3.961 4.130     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        891 1  77 LEU H   1  77 LEU HB2  . .  2.800 2.927 2.739 3.026 0.226 30 0 "[    .    1    .    2    .    3  ]" 1 
        892 1  77 LEU H   1  77 LEU HB3  . .  4.000 3.793 3.667 3.867     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        893 1  77 LEU H   1  77 LEU HG   . .  3.300 2.660 2.332 2.969     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        894 1  77 LEU H   1  78 GLY H    . .  2.800 2.465 1.956 2.654     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        895 1  77 LEU HA  1  77 LEU HG   . .  4.000 2.898 2.823 3.203     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        896 1  77 LEU HA  1  80 ARG QD   . .  6.000 3.950 3.216 5.250     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        897 1  77 LEU HB2 1  78 GLY H    . .  4.000 2.056 1.922 2.566     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        898 1  77 LEU HB3 1  78 GLY H    . .  5.000 3.516 3.368 3.884     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        899 1  77 LEU HB3 1  80 ARG H    . .  5.000 4.374 3.429 5.020 0.020  9 0 "[    .    1    .    2    .    3  ]" 1 
        900 1  77 LEU HB3 1  80 ARG QD   . .  5.000 2.240 1.963 3.130     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        901 1  77 LEU HB3 1  80 ARG HE   . .  5.000 3.140 1.870 4.445     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        902 1  77 LEU QD  1  78 GLY H    . .  8.070 2.864 2.532 3.770     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        903 1  77 LEU QD  1  80 ARG H    . .  8.070 3.797 2.975 4.524     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        904 1  77 LEU QD  1  80 ARG QD   . .  8.070 2.752 1.767 3.453     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        905 1  77 LEU QD  1  80 ARG HE   . .  8.070 3.126 2.271 3.981     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        906 1  77 LEU QD  1  83 GLU QB   . .  6.840 2.481 1.933 3.204     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        907 1  77 LEU QD  1  84 ILE HA   . .  7.070 3.378 2.623 3.850     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        908 1  77 LEU QD  1  84 ILE MG   . .  8.570 4.349 3.968 4.644     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        909 1  77 LEU MD1 1  83 GLU QB   . .  7.500 2.833 1.959 3.711     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        910 1  77 LEU MD1 1  83 GLU QG   . .  6.500 3.546 1.693 4.693     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        911 1  77 LEU MD1 1  84 ILE MD   . .  7.000 2.023 1.695 2.507     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        912 1  77 LEU MD2 1  83 GLU QB   . .  7.500 2.869 2.226 3.826     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        913 1  77 LEU MD2 1  83 GLU QG   . .  6.500 3.030 1.849 4.396     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        914 1  77 LEU MD2 1  84 ILE MD   . .  7.000 4.180 3.608 4.700     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        915 1  77 LEU HG  1  78 GLY H    . .  5.000 4.071 3.699 4.204     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        916 1  78 GLY H   1  78 GLY HA2  . .  2.800 2.629 2.334 2.749     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        917 1  78 GLY H   1  78 GLY HA3  . .  2.800 2.915 2.856 2.959 0.159 25 0 "[    .    1    .    2    .    3  ]" 1 
        918 1  78 GLY H   1  79 ASN H    . .  4.000 3.828 2.874 4.244 0.244 26 0 "[    .    1    .    2    .    3  ]" 1 
        919 1  78 GLY H   1  84 ILE MD   . .  6.500 3.351 2.392 4.163     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        920 1  78 GLY QA  1  79 ASN H    . .  3.130 2.234 2.169 2.644     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        921 1  79 ASN H   1  79 ASN QB   . .  3.680 3.031 2.942 3.309     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        922 1  79 ASN H   1  80 ARG H    . .  3.300 2.664 1.805 2.945     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        923 1  79 ASN HA  1  80 ARG H    . .  3.000 3.079 2.977 3.144 0.144 22 0 "[    .    1    .    2    .    3  ]" 1 
        924 1  79 ASN HA  1  81 TRP HD1  . .  5.500 5.142 4.853 5.324     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        925 1  79 ASN HA  1  81 TRP HE1  . .  4.000 4.077 3.683 4.319 0.319 15 0 "[    .    1    .    2    .    3  ]" 1 
        926 1  79 ASN HA  1  81 TRP HH2  . .  4.000 3.616 3.287 3.842     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        927 1  79 ASN HA  1  81 TRP HZ3  . .  4.000 4.126 3.839 4.298 0.298 15 0 "[    .    1    .    2    .    3  ]" 1 
        928 1  79 ASN QB  1  81 TRP HD1  . .  5.380 3.886 3.803 4.040     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        929 1  79 ASN HB2 1  79 ASN HD22 . .  4.000 3.817 3.446 4.093 0.093 24 0 "[    .    1    .    2    .    3  ]" 1 
        930 1  79 ASN HB2 1  81 TRP HE1  . .  2.800 2.956 2.901 3.076 0.276 18 0 "[    .    1    .    2    .    3  ]" 1 
        931 1  79 ASN HB3 1  79 ASN HD22 . .  4.000 3.622 3.445 4.035 0.035 19 0 "[    .    1    .    2    .    3  ]" 1 
        932 1  79 ASN HB3 1  81 TRP HE1  . .  2.800 2.947 2.857 3.097 0.297 18 0 "[    .    1    .    2    .    3  ]" 1 
        933 1  80 ARG H   1  80 ARG HA   . .  2.800 2.807 2.793 2.846 0.046 32 0 "[    .    1    .    2    .    3  ]" 1 
        934 1  80 ARG H   1  80 ARG HB2  . .  3.300 2.220 2.046 3.558 0.258  9 0 "[    .    1    .    2    .    3  ]" 1 
        935 1  80 ARG H   1  80 ARG QB   . .  2.930 2.108 2.026 2.735     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        936 1  80 ARG H   1  80 ARG HB3  . .  3.300 3.222 2.427 3.417 0.117 21 0 "[    .    1    .    2    .    3  ]" 1 
        937 1  80 ARG H   1  80 ARG HG2  . .  4.000 4.130 1.797 4.492 0.492 32 0 "[    .    1    .    2    .    3  ]" 1 
        938 1  80 ARG H   1  80 ARG HG3  . .  4.000 3.711 2.683 4.065 0.065 19 0 "[    .    1    .    2    .    3  ]" 1 
        939 1  80 ARG H   1  81 TRP H    . .  4.000 3.592 3.389 3.717     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        940 1  80 ARG HA  1  80 ARG QD   . .  5.000 3.471 2.732 4.513     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        941 1  80 ARG HA  1  80 ARG HG2  . .  4.000 3.053 2.114 3.819     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        942 1  80 ARG HA  1  80 ARG QG   . .  3.560 2.162 1.984 3.354     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        943 1  80 ARG HA  1  80 ARG HG3  . .  4.000 2.419 2.002 4.205 0.205 22 0 "[    .    1    .    2    .    3  ]" 1 
        944 1  80 ARG QB  1  80 ARG HE   . .  4.140 3.591 3.139 3.797     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        945 1  80 ARG QB  1  82 ALA H    . .  5.880 4.160 3.837 4.400     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        946 1  80 ARG QB  1  83 GLU QG   . .  6.880 2.363 1.782 3.826     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        947 1  80 ARG HB2 1  80 ARG HE   . .  5.000 3.956 3.494 4.212     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        948 1  80 ARG HB3 1  80 ARG HE   . .  5.000 4.146 3.303 4.464     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        949 1  80 ARG QD  1  81 TRP H    . .  6.000 5.372 4.901 5.646     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        950 1  80 ARG QD  1  83 GLU QB   . .  6.000 3.638 1.743 4.664     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        951 1  80 ARG QD  1  83 GLU QG   . .  6.000 3.280 1.769 4.367     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        952 1  80 ARG HE  1  80 ARG HG2  . .  4.000 2.761 2.067 3.952     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        953 1  80 ARG HE  1  80 ARG QG   . .  3.560 2.404 2.043 2.878     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        954 1  80 ARG HE  1  80 ARG HG3  . .  4.000 3.155 2.122 3.896     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        955 1  80 ARG HE  1  83 GLU QB   . .  7.000 4.492 2.853 5.143     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        956 1  80 ARG HE  1  83 GLU QG   . .  5.000 3.659 1.937 4.403     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        957 1  80 ARG QG  1  81 TRP H    . .  4.880 4.393 3.886 4.570     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        958 1  80 ARG QG  1  83 GLU H    . .  4.140 3.728 2.722 3.910     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        959 1  80 ARG QG  1  83 GLU QG   . .  6.880 2.642 1.830 3.705     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        960 1  80 ARG HG2 1  83 GLU H    . .  5.000 4.123 3.532 4.982     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        961 1  80 ARG HG3 1  83 GLU H    . .  5.000 4.483 2.792 5.060 0.060 24 0 "[    .    1    .    2    .    3  ]" 1 
        962 1  80 ARG O   1  84 ILE H    . .  2.300 1.717 1.498 2.160     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        963 1  80 ARG O   1  84 ILE N    . .  3.300 2.591 2.334 3.069     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        964 1  81 TRP H   1  81 TRP HA   . .  2.800 2.733 2.674 2.759     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        965 1  81 TRP H   1  81 TRP HB2  . .  4.000 2.852 2.801 2.924     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        966 1  81 TRP H   1  81 TRP HD1  . .  3.300 3.106 3.007 3.218     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        967 1  81 TRP H   1  82 ALA H    . .  2.800 2.751 2.694 2.875 0.075 26 0 "[    .    1    .    2    .    3  ]" 1 
        968 1  81 TRP H   1  83 GLU H    . .  5.000 4.039 3.917 4.185     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        969 1  81 TRP HA  1  81 TRP HE1  . .  6.000 6.070 6.029 6.131 0.131 32 0 "[    .    1    .    2    .    3  ]" 1 
        970 1  81 TRP HA  1  81 TRP HE3  . .  5.000 2.339 2.257 2.438     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        971 1  81 TRP HA  1  81 TRP HZ3  . .  5.000 4.676 4.602 4.751     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        972 1  81 TRP HA  1  83 GLU H    . .  4.000 3.653 3.361 3.930     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        973 1  81 TRP HA  1  84 ILE HB   . .  4.000 1.919 1.806 2.013     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        974 1  81 TRP HA  1  84 ILE MD   . .  5.500 3.756 3.032 4.128     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        975 1  81 TRP HA  1  84 ILE MG   . .  5.500 2.958 1.934 3.541     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        976 1  81 TRP HA  1  96 VAL MG1  . .  5.500 3.192 2.635 3.645     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        977 1  81 TRP HB2 1  81 TRP HE1  . .  5.000 4.910 4.908 4.912     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        978 1  81 TRP HB2 1  81 TRP HE3  . .  4.000 4.164 4.157 4.168 0.168 17 0 "[    .    1    .    2    .    3  ]" 1 
        979 1  81 TRP HB2 1  82 ALA H    . .  2.800 2.888 2.845 2.944 0.144  5 0 "[    .    1    .    2    .    3  ]" 1 
        980 1  81 TRP HB2 1  93 ASP HA   . .  5.000 2.963 2.630 3.192     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        981 1  81 TRP HB2 1  93 ASP QB   . .  5.000 2.172 1.939 2.714     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        982 1  81 TRP HB3 1  81 TRP HE3  . .  4.000 2.862 2.800 2.908     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        983 1  81 TRP HB3 1  81 TRP HZ3  . .  5.000 5.211 5.159 5.250 0.250 32 0 "[    .    1    .    2    .    3  ]" 1 
        984 1  81 TRP HB3 1  82 ALA H    . .  4.000 4.120 4.084 4.159 0.159 18 0 "[    .    1    .    2    .    3  ]" 1 
        985 1  81 TRP HB3 1  93 ASP HA   . .  5.000 2.658 2.284 3.006     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        986 1  81 TRP HB3 1  93 ASP QB   . .  6.000 3.183 2.862 3.711     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        987 1  81 TRP HD1 1  82 ALA H    . .  4.500 4.292 4.151 4.421     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        988 1  81 TRP HD1 1  93 ASP HA   . .  5.500 5.405 5.034 5.595 0.095 15 0 "[    .    1    .    2    .    3  ]" 1 
        989 1  81 TRP HD1 1  93 ASP QB   . .  4.800 3.798 3.248 4.156     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        990 1  81 TRP HD1 1  96 VAL HB   . .  6.500 5.964 5.708 6.203     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        991 1  81 TRP HD1 1  97 LYS HB2  . .  3.800 2.501 2.371 2.654     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        992 1  81 TRP HD1 1  97 LYS HB3  . .  3.800 3.999 3.895 4.058 0.258 23 0 "[    .    1    .    2    .    3  ]" 1 
        993 1  81 TRP HD1 1  97 LYS HD2  . .  3.300 3.338 3.234 3.390 0.090 31 0 "[    .    1    .    2    .    3  ]" 1 
        994 1  81 TRP HD1 1  97 LYS HD3  . .  3.300 1.967 1.954 1.985     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        995 1  81 TRP HD1 1  97 LYS QE   . .  4.200 3.775 3.735 3.830     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        996 1  81 TRP HD1 1  97 LYS HG2  . .  4.500 4.397 4.179 4.529 0.029  4 0 "[    .    1    .    2    .    3  ]" 1 
        997 1  81 TRP HD1 1  97 LYS QG   . .  4.070 3.139 2.806 3.302     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        998 1  81 TRP HD1 1  97 LYS HG3  . .  4.500 3.214 2.852 3.395     .  0 0 "[    .    1    .    2    .    3  ]" 1 
        999 1  81 TRP HE1 1  97 LYS HD2  . .  4.000 3.028 2.796 3.543     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1000 1  81 TRP HE1 1  97 LYS QD   . .  3.560 2.720 2.525 3.158     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1001 1  81 TRP HE1 1  97 LYS HD3  . .  4.000 3.081 2.871 3.547     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1002 1  81 TRP HE1 1  97 LYS HG2  . .  4.000 3.941 3.841 4.009 0.009 20 0 "[    .    1    .    2    .    3  ]" 1 
       1003 1  81 TRP HE1 1  97 LYS QG   . .  3.560 2.276 2.199 2.342     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1004 1  81 TRP HE1 1  97 LYS HG3  . .  4.000 2.290 2.212 2.358     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1005 1  81 TRP HE3 1  84 ILE HB   . .  4.000 2.945 2.523 3.136     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1006 1  81 TRP HE3 1  84 ILE MG   . .  4.000 2.619 1.796 3.208     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1007 1  81 TRP HE3 1  96 VAL MG1  . .  4.000 1.879 1.739 2.018     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1008 1  81 TRP HH2 1  84 ILE MD   . .  6.500 5.222 4.734 5.316     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1009 1  81 TRP HH2 1  84 ILE MG   . .  7.500 5.541 4.839 5.901     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1010 1  81 TRP HH2 1  96 VAL MG1  . .  6.500 4.497 4.185 4.748     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1011 1  81 TRP HH2 1 100 TRP HA   . .  5.000 4.721 4.596 4.976     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1012 1  81 TRP HH2 1 100 TRP HD1  . .  3.300 2.832 2.701 2.947     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1013 1  81 TRP HH2 1 100 TRP HE1  . .  4.000 3.096 2.873 3.316     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1014 1  81 TRP HH2 1 100 TRP HZ3  . .  7.000 5.311 5.039 5.632     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1015 1  81 TRP HZ3 1  84 ILE HB   . .  5.000 4.804 4.424 5.039 0.039 20 0 "[    .    1    .    2    .    3  ]" 1 
       1016 1  81 TRP HZ3 1  84 ILE QG   . .  4.180 3.422 3.350 3.520     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1017 1  81 TRP HZ3 1  84 ILE MG   . .  5.500 3.422 2.697 3.783     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1018 1  81 TRP HZ3 1  96 VAL HB   . .  5.000 4.963 4.504 5.136 0.136 31 0 "[    .    1    .    2    .    3  ]" 1 
       1019 1  81 TRP HZ3 1 100 TRP HA   . .  5.000 4.967 4.742 5.103 0.103 18 0 "[    .    1    .    2    .    3  ]" 1 
       1020 1  81 TRP HZ3 1 100 TRP HB2  . .  4.000 3.591 3.346 3.763     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1021 1  81 TRP HZ3 1 100 TRP HD1  . .  5.000 5.049 4.842 5.136 0.136 32 0 "[    .    1    .    2    .    3  ]" 1 
       1022 1  81 TRP O   1  85 ALA H    . .  2.300 1.950 1.774 2.128     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1023 1  81 TRP O   1  85 ALA N    . .  3.300 2.936 2.767 3.115     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1024 1  82 ALA H   1  82 ALA HA   . .  2.800 2.771 2.711 2.805 0.005  4 0 "[    .    1    .    2    .    3  ]" 1 
       1025 1  82 ALA H   1  83 GLU H    . .  2.800 2.677 2.581 2.811 0.011 26 0 "[    .    1    .    2    .    3  ]" 1 
       1026 1  82 ALA HA  1  85 ALA MB   . .  4.800 3.786 3.607 3.978     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1027 1  82 ALA HA  1  93 ASP HA   . .  4.000 3.697 3.222 4.019 0.019  9 0 "[    .    1    .    2    .    3  ]" 1 
       1028 1  82 ALA HA  1  93 ASP QB   . .  3.800 2.061 1.958 2.609     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1029 1  82 ALA MB  1  83 GLU H    . .  4.300 2.993 2.826 3.140     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1030 1  82 ALA MB  1  83 GLU QG   . .  6.500 3.334 2.523 4.863     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1031 1  82 ALA MB  1  93 ASP QB   . .  5.300 3.027 2.657 3.420     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1032 1  83 GLU H   1  83 GLU HA   . .  2.800 2.910 2.891 2.919 0.119 18 0 "[    .    1    .    2    .    3  ]" 1 
       1033 1  83 GLU H   1  83 GLU QB   . .  3.800 2.533 2.187 2.801     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1034 1  83 GLU H   1  83 GLU QG   . .  3.800 2.580 2.093 3.455     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1035 1  83 GLU H   1  84 ILE H    . .  2.800 2.047 1.901 2.205     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1036 1  83 GLU H   1  85 ALA H    . .  4.000 3.850 3.386 4.073 0.073 17 0 "[    .    1    .    2    .    3  ]" 1 
       1037 1  83 GLU HA  1  86 LYS QD   . .  4.880 3.260 2.016 4.346     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1038 1  84 ILE H   1  84 ILE HB   . .  4.000 2.297 1.977 2.521     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1039 1  84 ILE H   1  84 ILE QG   . .  4.880 2.626 1.816 3.949     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1040 1  84 ILE H   1  85 ALA H    . .  2.800 2.767 2.360 2.929 0.129 24 0 "[    .    1    .    2    .    3  ]" 1 
       1041 1  84 ILE HA  1  87 LEU QB   . .  5.880 3.448 2.579 4.750     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1042 1  84 ILE MD  1  96 VAL MG1  . .  7.000 3.642 3.127 4.360     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1043 1  84 ILE MG  1  85 ALA H    . .  4.800 3.045 2.150 3.581     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1044 1  84 ILE MG  1  85 ALA HA   . .  6.500 3.347 2.844 3.651     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1045 1  84 ILE MG  1  96 VAL MG1  . .  5.800 1.703 1.621 1.793     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1046 1  84 ILE MG  1  96 VAL MG2  . .  7.000 2.073 1.894 2.573     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1047 1  85 ALA H   1  85 ALA HA   . .  2.800 2.826 2.776 2.893 0.093 26 0 "[    .    1    .    2    .    3  ]" 1 
       1048 1  85 ALA H   1  86 LYS H    . .  2.800 2.552 2.331 2.704     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1049 1  85 ALA HA  1  88 LEU QD   . .  6.370 3.112 1.995 4.334     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1050 1  85 ALA HA  1  96 VAL MG1  . .  6.500 4.480 3.765 4.952     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1051 1  85 ALA HA  1  96 VAL MG2  . .  4.800 2.603 2.165 2.929     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1052 1  85 ALA MB  1  86 LYS HB2  . .  5.500 4.545 4.240 4.900     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1053 1  85 ALA MB  1  86 LYS HB3  . .  7.500 5.406 5.261 5.701     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1054 1  85 ALA MB  1  88 LEU QD   . .  8.570 4.149 2.873 5.123     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1055 1  85 ALA MB  1  92 THR HA   . .  4.800 2.601 1.919 3.574     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1056 1  85 ALA MB  1  92 THR MG   . .  6.300 4.042 3.528 4.410     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1057 1  85 ALA MB  1  93 ASP HA   . .  4.300 2.652 2.072 3.280     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1058 1  85 ALA MB  1  93 ASP QB   . .  6.000 3.644 3.178 4.271     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1059 1  85 ALA MB  1  96 VAL HB   . .  5.500 3.607 2.842 4.054     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1060 1  85 ALA MB  1  96 VAL MG1  . .  7.000 4.224 3.693 4.539     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1061 1  85 ALA MB  1  96 VAL MG2  . .  5.800 2.484 2.021 2.783     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1062 1  85 ALA O   1  88 LEU H    . .  2.300 2.011 1.717 2.436 0.136 26 0 "[    .    1    .    2    .    3  ]" 1 
       1063 1  85 ALA O   1  88 LEU N    . .  3.300 2.753 2.475 3.338 0.038  2 0 "[    .    1    .    2    .    3  ]" 1 
       1064 1  86 LYS H   1  86 LYS HB2  . .  3.300 2.218 2.124 2.532     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1065 1  86 LYS H   1  86 LYS HB3  . .  4.000 3.479 3.428 3.539     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1066 1  86 LYS H   1  86 LYS QG   . .  4.880 2.620 1.932 2.921     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1067 1  86 LYS H   1  87 LEU H    . .  4.000 3.017 2.578 3.962     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1068 1  86 LYS HA  1  86 LYS HB2  . .  2.800 2.997 2.976 3.034 0.234 19 0 "[    .    1    .    2    .    3  ]" 1 
       1069 1  86 LYS HA  1  86 LYS QD   . .  4.880 3.587 2.205 4.060     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1070 1  86 LYS HA  1  86 LYS HG2  . .  4.000 2.242 2.025 2.718     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1071 1  86 LYS HA  1  86 LYS HG3  . .  4.000 3.018 2.295 3.632     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1072 1  86 LYS HB2 1  86 LYS QD   . .  3.510 2.689 2.088 3.410     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1073 1  86 LYS HB3 1  86 LYS QD   . .  3.510 2.288 1.982 2.836     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1074 1  87 LEU H   1  87 LEU HB2  . .  4.000 2.410 2.046 3.747     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1075 1  87 LEU H   1  87 LEU HB3  . .  4.000 3.420 2.103 3.725     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1076 1  87 LEU H   1  87 LEU MD2  . .  5.500 4.169 2.548 4.638     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1077 1  87 LEU H   1  87 LEU HG   . .  4.000 3.571 2.432 4.132 0.132  3 0 "[    .    1    .    2    .    3  ]" 1 
       1078 1  87 LEU H   1  88 LEU H    . .  2.800 2.295 1.722 2.622     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1079 1  87 LEU HA  1  87 LEU MD2  . .  4.800 2.826 1.966 4.129     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1080 1  87 LEU QB  1  88 LEU H    . .  5.450 2.987 2.468 3.802     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1081 1  87 LEU HB2 1  88 LEU H    . .  6.000 3.251 2.519 4.628     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1082 1  87 LEU HB3 1  88 LEU H    . .  6.000 3.623 2.689 4.321     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1083 1  87 LEU MD1 1  88 LEU H    . .  6.500 4.594 3.962 5.245     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1084 1  87 LEU MD2 1  88 LEU H    . .  6.500 4.830 3.899 5.445     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1085 1  88 LEU H   1  88 LEU HB2  . .  4.000 2.578 2.192 3.093     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1086 1  88 LEU H   1  88 LEU HG   . .  4.000 3.406 1.936 4.077 0.077 19 0 "[    .    1    .    2    .    3  ]" 1 
       1087 1  88 LEU HA  1  88 LEU HG   . .  4.000 3.043 2.320 3.875     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1088 1  88 LEU HA  1  89 PRO QD   . .  3.800 1.950 1.837 2.317     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1089 1  89 PRO HA  1  90 GLY H    . .  3.300 2.543 2.149 3.311 0.011 11 0 "[    .    1    .    2    .    3  ]" 1 
       1090 1  89 PRO HB2 1  90 GLY H    . .  4.000 4.027 3.103 4.360 0.360 25 0 "[    .    1    .    2    .    3  ]" 1 
       1091 1  90 GLY H   1  91 ARG H    . .  4.000 3.044 1.871 4.164 0.164 21 0 "[    .    1    .    2    .    3  ]" 1 
       1092 1  91 ARG H   1  91 ARG HB2  . .  4.000 2.962 2.284 3.812     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1093 1  91 ARG H   1  91 ARG HB3  . .  4.000 3.765 3.390 4.070 0.070 26 0 "[    .    1    .    2    .    3  ]" 1 
       1094 1  91 ARG HA  1  91 ARG HD2  . .  3.300 3.093 2.167 3.431 0.131 21 0 "[    .    1    .    2    .    3  ]" 1 
       1095 1  91 ARG HA  1  91 ARG HD3  . .  3.300 2.104 1.891 3.459 0.159 25 0 "[    .    1    .    2    .    3  ]" 1 
       1096 1  91 ARG HA  1  91 ARG HE   . .  6.000 4.524 3.556 4.998     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1097 1  91 ARG HA  1  92 THR MG   . .  5.500 3.454 2.993 4.112     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1098 1  91 ARG QB  1  95 ALA MB   . .  5.960 2.334 1.756 3.280     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1099 1  91 ARG QB  1  96 VAL MG2  . .  5.090 2.506 1.930 2.951     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1100 1  91 ARG HB2 1  92 THR H    . .  6.000 3.895 3.221 4.425     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1101 1  91 ARG HB2 1  95 ALA MB   . .  6.500 3.735 3.138 4.374     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1102 1  91 ARG HB2 1  96 VAL MG2  . .  5.500 3.255 2.618 4.141     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1103 1  91 ARG HB3 1  92 THR H    . .  6.000 3.107 1.953 4.467     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1104 1  91 ARG HB3 1  95 ALA MB   . .  6.500 2.365 1.765 3.415     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1105 1  91 ARG HB3 1  96 VAL MG2  . .  5.500 2.637 1.958 3.021     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1106 1  91 ARG QD  1  92 THR H    . .  5.880 3.704 2.883 4.950     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1107 1  91 ARG QD  1  95 ALA MB   . .  6.380 2.238 1.800 3.434     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1108 1  91 ARG HD2 1  96 VAL MG2  . .  6.500 4.250 3.178 5.407     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1109 1  91 ARG HD3 1  96 VAL MG2  . .  6.500 5.022 4.254 5.343     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1110 1  92 THR HA  1  92 THR HB   . .  2.800 2.531 2.401 2.642     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1111 1  92 THR MG  1  93 ASP H    . .  4.300 3.584 3.452 3.712     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1112 1  92 THR MG  1  95 ALA MB   . .  7.000 3.673 3.212 4.108     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1113 1  93 ASP H   1  93 ASP HA   . .  2.800 2.825 2.740 2.916 0.116  6 0 "[    .    1    .    2    .    3  ]" 1 
       1114 1  93 ASP H   1  93 ASP QB   . .  3.800 2.908 2.522 3.436     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1115 1  93 ASP H   1  94 ASN H    . .  3.300 2.412 1.895 2.893     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1116 1  93 ASP HA  1  96 VAL H    . .  4.000 3.548 3.273 3.733     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1117 1  93 ASP HA  1  96 VAL HB   . .  4.000 3.306 2.827 3.714     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1118 1  93 ASP HA  1  96 VAL MG2  . .  4.800 3.662 3.202 3.905     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1119 1  93 ASP QB  1  96 VAL H    . .  6.000 5.068 4.824 5.226     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1120 1  93 ASP O   1  97 LYS H    . .  2.300 1.846 1.705 2.104     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1121 1  93 ASP O   1  97 LYS N    . .  3.300 2.747 2.581 2.920     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1122 1  94 ASN H   1  94 ASN HB2  . .  3.300 2.785 2.022 3.523 0.223 12 0 "[    .    1    .    2    .    3  ]" 1 
       1123 1  94 ASN H   1  94 ASN HB3  . .  3.300 2.990 2.066 3.516 0.216 15 0 "[    .    1    .    2    .    3  ]" 1 
       1124 1  94 ASN H   1  94 ASN HD21 . .  5.000 3.295 2.632 4.256     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1125 1  94 ASN H   1  94 ASN QD   . .  4.440 3.141 2.478 4.025     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1126 1  94 ASN H   1  94 ASN HD22 . .  5.000 4.100 3.020 5.094 0.094 18 0 "[    .    1    .    2    .    3  ]" 1 
       1127 1  94 ASN H   1  95 ALA H    . .  2.800 2.685 2.428 2.873 0.073 17 0 "[    .    1    .    2    .    3  ]" 1 
       1128 1  94 ASN HA  1  94 ASN HB2  . .  2.800 2.777 2.302 3.046 0.246 19 0 "[    .    1    .    2    .    3  ]" 1 
       1129 1  94 ASN HA  1  94 ASN HB3  . .  2.800 2.639 2.313 2.987 0.187 18 0 "[    .    1    .    2    .    3  ]" 1 
       1130 1  94 ASN HA  1  94 ASN HD22 . .  5.000 4.602 3.181 5.016 0.016 20 0 "[    .    1    .    2    .    3  ]" 1 
       1131 1  94 ASN HA  1  95 ALA H    . .  3.300 3.500 3.451 3.575 0.275 20 0 "[    .    1    .    2    .    3  ]" 1 
       1132 1  94 ASN HA  1  95 ALA MB   . .  6.500 4.959 4.919 5.006     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1133 1  94 ASN HA  1  97 LYS HB2  . .  4.000 3.637 3.243 4.059 0.059 15 0 "[    .    1    .    2    .    3  ]" 1 
       1134 1  94 ASN HA  1  97 LYS HB3  . .  4.000 2.481 2.184 2.902     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1135 1  94 ASN HA  1  97 LYS HG2  . .  6.000 4.465 4.111 4.942     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1136 1  94 ASN HA  1  97 LYS QG   . .  5.450 4.241 3.916 4.684     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1137 1  94 ASN HA  1  97 LYS HG3  . .  6.000 5.292 4.928 5.808     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1138 1  94 ASN QB  1  95 ALA H    . .  3.680 3.272 3.158 3.504     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1139 1  94 ASN QB  1  95 ALA HA   . .  5.880 4.005 3.860 4.600     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1140 1  94 ASN QB  1  95 ALA MB   . .  6.380 4.152 3.784 4.468     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1141 1  94 ASN HB2 1  94 ASN HD22 . .  4.000 3.781 3.445 4.152 0.152  2 0 "[    .    1    .    2    .    3  ]" 1 
       1142 1  94 ASN HB3 1  94 ASN HD22 . .  4.000 3.683 3.446 4.010 0.010 26 0 "[    .    1    .    2    .    3  ]" 1 
       1143 1  95 ALA H   1  95 ALA HA   . .  2.800 2.850 2.805 2.902 0.102 15 0 "[    .    1    .    2    .    3  ]" 1 
       1144 1  95 ALA H   1  96 VAL H    . .  2.800 2.752 2.434 2.887 0.087 29 0 "[    .    1    .    2    .    3  ]" 1 
       1145 1  95 ALA HA  1  98 ASN HB2  . .  5.000 3.888 3.359 4.232     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1146 1  95 ALA HA  1  98 ASN HB3  . .  5.000 3.605 3.095 4.060     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1147 1  95 ALA MB  1  96 VAL H    . .  3.800 2.179 2.032 2.364     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1148 1  95 ALA MB  1  96 VAL HA   . .  6.000 3.700 3.630 3.783     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1149 1  95 ALA MB  1  96 VAL MG1  . .  7.500 4.748 4.670 4.822     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1150 1  95 ALA MB  1  96 VAL MG2  . .  7.000 2.732 2.501 3.030     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1151 1  95 ALA MB  1  98 ASN HB2  . .  6.500 5.258 4.829 5.488     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1152 1  95 ALA MB  1  98 ASN HB3  . .  6.500 4.916 4.494 5.226     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1153 1  96 VAL H   1  96 VAL HB   . .  2.800 2.452 2.341 2.490     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1154 1  96 VAL H   1  96 VAL MG2  . .  4.300 1.897 1.837 2.123     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1155 1  96 VAL H   1  97 LYS H    . .  3.300 2.859 2.700 2.974     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1156 1  96 VAL HA  1  99 HIS H    . .  4.000 3.291 2.843 3.562     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1157 1  96 VAL HA  1  99 HIS HD2  . .  4.500 3.481 2.941 3.884     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1158 1  96 VAL HB  1  97 LYS H    . .  2.800 2.378 2.222 2.522     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1159 1  96 VAL MG1 1  99 HIS HD2  . .  6.000 3.628 3.102 4.133     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1160 1  96 VAL MG2 1  99 HIS HD2  . .  6.000 3.887 3.459 4.301     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1161 1  97 LYS H   1  97 LYS QB   . .  3.460 2.202 2.188 2.214     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1162 1  97 LYS H   1  97 LYS QE   . .  5.000 4.463 4.375 4.535     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1163 1  97 LYS H   1  97 LYS QG   . .  4.880 3.926 3.912 3.934     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1164 1  97 LYS H   1  98 ASN H    . .  3.300 3.140 2.940 3.257     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1165 1  97 LYS QB  1  98 ASN H    . .  3.680 2.362 2.183 2.682     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1166 1  97 LYS QG  1  98 ASN H    . .  4.880 3.273 2.897 3.686     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1167 1  97 LYS QG  1 101 ASN QD   . .  5.810 3.541 3.232 3.968     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1168 1  97 LYS HG2 1 101 ASN HD21 . .  6.750 3.987 3.574 4.516     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1169 1  97 LYS HG2 1 101 ASN HD22 . .  6.750 4.757 4.294 5.530     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1170 1  97 LYS HG3 1 101 ASN HD21 . .  6.750 4.652 4.399 5.034     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1171 1  97 LYS HG3 1 101 ASN HD22 . .  6.750 4.916 4.423 5.522     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1172 1  98 ASN H   1  98 ASN HA   . .  2.800 2.742 2.700 2.815 0.015 31 0 "[    .    1    .    2    .    3  ]" 1 
       1173 1  98 ASN H   1  98 ASN HB2  . .  2.800 2.196 2.157 2.334     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1174 1  98 ASN H   1  98 ASN HB3  . .  2.800 2.808 2.628 2.859 0.059 22 0 "[    .    1    .    2    .    3  ]" 1 
       1175 1  98 ASN H   1  98 ASN QD   . .  4.870 3.959 3.888 4.172     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1176 1  98 ASN H   1  99 HIS H    . .  2.800 2.759 2.465 2.873 0.073  9 0 "[    .    1    .    2    .    3  ]" 1 
       1177 1  98 ASN HA  1  98 ASN HB2  . .  2.800 2.652 2.559 2.713     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1178 1  98 ASN HA  1  98 ASN HB3  . .  2.800 3.044 3.023 3.064 0.264 28 0 "[    .    1    .    2    .    3  ]" 1 
       1179 1  98 ASN HA  1  98 ASN HD21 . .  4.000 3.344 3.133 3.384     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1180 1  98 ASN HA  1  98 ASN QD   . .  3.560 3.177 3.017 3.200     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1181 1  98 ASN HA  1  98 ASN HD22 . .  4.000 3.968 3.940 4.017 0.017 20 0 "[    .    1    .    2    .    3  ]" 1 
       1182 1  98 ASN HA  1 101 ASN H    . .  4.000 3.381 3.088 3.526     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1183 1  98 ASN HA  1 101 ASN HB2  . .  4.000 3.384 3.099 3.510     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1184 1  98 ASN HA  1 101 ASN HB3  . .  5.000 5.100 4.791 5.233 0.233 30 0 "[    .    1    .    2    .    3  ]" 1 
       1185 1  98 ASN HA  1 101 ASN HD21 . .  5.000 3.413 3.308 3.477     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1186 1  98 ASN HA  1 101 ASN QD   . .  4.440 3.363 3.265 3.424     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1187 1  98 ASN HA  1 101 ASN HD22 . .  5.000 5.076 5.010 5.127 0.127 30 0 "[    .    1    .    2    .    3  ]" 1 
       1188 1  98 ASN HA  1 102 SER H    . .  5.000 4.381 4.102 4.705     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1189 1  98 ASN HB2 1  98 ASN HD22 . .  4.000 3.454 3.452 3.467     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1190 1  98 ASN HB3 1  98 ASN HD22 . .  4.000 4.037 4.033 4.067 0.067 28 0 "[    .    1    .    2    .    3  ]" 1 
       1191 1  99 HIS H   1  99 HIS HA   . .  2.800 2.710 2.685 2.783     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1192 1  99 HIS H   1  99 HIS HB2  . .  2.800 2.397 2.198 2.543     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1193 1  99 HIS H   1  99 HIS HB3  . .  2.800 2.525 2.383 2.754     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1194 1  99 HIS H   1 100 TRP H    . .  2.800 2.803 2.627 2.856 0.056  9 0 "[    .    1    .    2    .    3  ]" 1 
       1195 1  99 HIS HB2 1  99 HIS HD2  . .  3.800 3.415 3.212 3.620     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1196 1  99 HIS HB2 1 100 TRP H    . .  4.000 4.167 4.047 4.240 0.240  9 0 "[    .    1    .    2    .    3  ]" 1 
       1197 1  99 HIS HB3 1  99 HIS HD2  . .  3.800 2.809 2.724 2.941     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1198 1  99 HIS HB3 1 100 TRP H    . .  4.000 3.116 3.032 3.292     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1199 1  99 HIS HD2 1 100 TRP HZ3  . .  6.500 5.551 5.013 6.253     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1200 1  99 HIS HD2 1 104 ILE HB   . .  5.500 5.599 5.444 5.692 0.192 11 0 "[    .    1    .    2    .    3  ]" 1 
       1201 1  99 HIS HD2 1 104 ILE MD   . .  4.800 2.857 2.255 3.910     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1202 1  99 HIS HE1 1 103 THR HA   . .  5.500 5.649 5.527 5.744 0.244 28 0 "[    .    1    .    2    .    3  ]" 1 
       1203 1  99 HIS HE1 1 103 THR HB   . .  3.300 2.801 2.656 2.994     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1204 1  99 HIS HE1 1 103 THR MG   . .  4.800 3.455 3.006 3.658     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1205 1  99 HIS HE1 1 104 ILE HA   . .  5.500 5.561 5.490 5.640 0.140  3 0 "[    .    1    .    2    .    3  ]" 1 
       1206 1  99 HIS HE1 1 104 ILE MD   . .  4.500 3.057 2.226 3.491     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1207 1  99 HIS HE1 1 104 ILE QG   . .  6.380 2.950 2.745 3.308     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1208 1 100 TRP H   1 100 TRP HB2  . .  2.800 2.171 2.118 2.257     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1209 1 100 TRP H   1 100 TRP HB3  . .  2.800 2.815 2.684 2.899 0.099  8 0 "[    .    1    .    2    .    3  ]" 1 
       1210 1 100 TRP H   1 100 TRP HE3  . .  4.000 3.802 3.660 4.036 0.036 24 0 "[    .    1    .    2    .    3  ]" 1 
       1211 1 100 TRP H   1 101 ASN H    . .  2.800 2.804 2.468 2.945 0.145 30 0 "[    .    1    .    2    .    3  ]" 1 
       1212 1 100 TRP HA  1 100 TRP HE1  . .  6.000 5.571 5.503 5.659     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1213 1 100 TRP HA  1 100 TRP HE3  . .  2.800 1.965 1.895 2.035     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1214 1 100 TRP HA  1 100 TRP HZ3  . .  5.000 4.194 4.138 4.273     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1215 1 100 TRP HA  1 104 ILE HB   . .  4.000 1.876 1.739 2.218     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1216 1 100 TRP HA  1 104 ILE MD   . .  5.500 3.248 2.243 4.677     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1217 1 100 TRP HA  1 104 ILE MG   . .  6.500 3.279 2.960 3.439     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1218 1 100 TRP HB2 1 100 TRP HE1  . .  5.000 5.263 5.248 5.282 0.282 30 0 "[    .    1    .    2    .    3  ]" 1 
       1219 1 100 TRP HB2 1 100 TRP HE3  . .  4.000 3.079 3.005 3.134     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1220 1 100 TRP HB2 1 101 ASN H    . .  3.300 3.410 3.303 3.603 0.303 27 0 "[    .    1    .    2    .    3  ]" 1 
       1221 1 100 TRP HB3 1 100 TRP HE1  . .  5.000 4.911 4.908 4.913     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1222 1 100 TRP HB3 1 101 ASN H    . .  3.300 2.256 2.032 2.760     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1223 1 100 TRP HD1 1 101 ASN HA   . .  5.500 5.031 4.627 5.555 0.055  8 0 "[    .    1    .    2    .    3  ]" 1 
       1224 1 100 TRP HE3 1 101 ASN H    . .  5.200 5.361 5.288 5.428 0.228 30 0 "[    .    1    .    2    .    3  ]" 1 
       1225 1 100 TRP HE3 1 104 ILE HB   . .  4.000 2.437 2.133 2.698     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1226 1 100 TRP HE3 1 104 ILE MD   . .  6.500 2.608 1.806 4.332     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1227 1 100 TRP HE3 1 104 ILE MG   . .  6.500 2.733 2.586 2.818     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1228 1 100 TRP HZ3 1 104 ILE MG   . .  4.300 1.929 1.827 2.090     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1229 1 101 ASN H   1 101 ASN HA   . .  2.800 2.818 2.780 2.880 0.080  8 0 "[    .    1    .    2    .    3  ]" 1 
       1230 1 101 ASN H   1 101 ASN HB2  . .  2.800 2.317 2.251 2.367     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1231 1 101 ASN H   1 101 ASN HB3  . .  3.300 3.532 3.514 3.548 0.248 31 0 "[    .    1    .    2    .    3  ]" 1 
       1232 1 101 ASN H   1 101 ASN HD21 . .  4.000 2.712 2.624 2.864     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1233 1 101 ASN H   1 101 ASN QD   . .  3.560 2.657 2.572 2.805     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1234 1 101 ASN H   1 101 ASN HD22 . .  4.000 3.813 3.647 4.076 0.076  8 0 "[    .    1    .    2    .    3  ]" 1 
       1235 1 101 ASN H   1 102 SER H    . .  2.800 2.540 2.326 2.644     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1236 1 101 ASN HA  1 102 SER H    . .  3.300 3.356 3.307 3.385 0.085 31 0 "[    .    1    .    2    .    3  ]" 1 
       1237 1 101 ASN HA  1 105 LYS HB2  . .  5.000 2.409 1.862 4.339     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1238 1 101 ASN HA  1 105 LYS HB3  . .  5.000 2.732 1.960 4.469     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1239 1 101 ASN HA  1 105 LYS QD   . .  4.180 3.885 1.891 4.055     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1240 1 101 ASN HA  1 105 LYS QG   . .  6.000 1.894 1.832 2.011     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1241 1 101 ASN HB2 1 101 ASN QD   . .  3.340 2.102 2.094 2.139     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1242 1 101 ASN HB2 1 101 ASN HD22 . .  4.000 3.452 3.449 3.467     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1243 1 101 ASN HB2 1 102 SER H    . .  3.300 3.514 3.443 3.632 0.332 27 0 "[    .    1    .    2    .    3  ]" 1 
       1244 1 101 ASN HB3 1 101 ASN HD22 . .  4.000 4.030 4.018 4.069 0.069  8 0 "[    .    1    .    2    .    3  ]" 1 
       1245 1 101 ASN HB3 1 102 SER H    . .  4.000 4.206 4.134 4.252 0.252  9 0 "[    .    1    .    2    .    3  ]" 1 
       1246 1 102 SER H   1 102 SER HA   . .  2.800 2.817 2.806 2.833 0.033  8 0 "[    .    1    .    2    .    3  ]" 1 
       1247 1 102 SER H   1 103 THR H    . .  2.800 3.005 2.877 3.079 0.279 14 0 "[    .    1    .    2    .    3  ]" 1 
       1248 1 102 SER HA  1 102 SER HB2  . .  2.800 2.873 2.429 3.052 0.252  8 0 "[    .    1    .    2    .    3  ]" 1 
       1249 1 102 SER HA  1 102 SER HB3  . .  2.800 2.707 2.482 3.051 0.251  2 0 "[    .    1    .    2    .    3  ]" 1 
       1250 1 103 THR H   1 103 THR HA   . .  2.800 2.944 2.930 2.949 0.149 30 0 "[    .    1    .    2    .    3  ]" 1 
       1251 1 103 THR H   1 103 THR HB   . .  3.300 2.447 2.333 2.596     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1252 1 103 THR H   1 103 THR MG   . .  4.800 3.665 3.592 3.760     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1253 1 103 THR H   1 104 ILE H    . .  2.800 1.788 1.647 1.914     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1254 1 103 THR HA  1 103 THR HB   . .  2.800 3.031 3.015 3.047 0.247  1 0 "[    .    1    .    2    .    3  ]" 1 
       1255 1 103 THR HA  1 104 ILE H    . .  3.300 3.410 3.360 3.456 0.156  9 0 "[    .    1    .    2    .    3  ]" 1 
       1256 1 103 THR HB  1 104 ILE H    . .  3.300 3.489 3.395 3.640 0.340  4 0 "[    .    1    .    2    .    3  ]" 1 
       1257 1 103 THR MG  1 104 ILE HA   . .  5.500 3.597 3.409 3.787     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1258 1 103 THR MG  1 104 ILE MD   . .  7.000 4.111 2.762 4.798     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1259 1 103 THR MG  1 104 ILE HG12 . .  6.500 3.674 3.281 3.897     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1260 1 103 THR MG  1 104 ILE QG   . .  5.960 3.346 2.789 3.744     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1261 1 103 THR MG  1 104 ILE HG13 . .  6.500 4.077 2.881 5.086     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1262 1 103 THR MG  1 104 ILE MG   . .  7.000 4.623 4.554 4.750     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1263 1 104 ILE H   1 104 ILE HB   . .  2.800 2.639 2.495 2.744     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1264 1 104 ILE H   1 104 ILE HG12 . .  4.000 2.919 1.918 3.992     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1265 1 104 ILE H   1 104 ILE QG   . .  3.560 1.980 1.859 2.586     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1266 1 104 ILE H   1 104 ILE HG13 . .  4.000 2.416 1.871 3.402     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1267 1 104 ILE H   1 105 LYS H    . .  2.800 2.973 2.899 3.137 0.337 14 0 "[    .    1    .    2    .    3  ]" 1 
       1268 1 104 ILE HA  1 104 ILE HG12 . .  4.000 2.885 2.720 3.174     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1269 1 104 ILE HA  1 104 ILE HG13 . .  4.000 3.362 2.760 3.942     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1270 1 104 ILE HA  1 105 LYS H    . .  2.800 2.913 2.784 2.985 0.185 10 0 "[    .    1    .    2    .    3  ]" 1 
       1271 1 104 ILE MD  1 105 LYS QD   . .  7.680 5.714 5.494 5.843     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1272 1 104 ILE QG  1 105 LYS QG   . .  6.880 4.771 4.519 5.034     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1273 1 104 ILE MG  1 105 LYS HA   . .  6.500 4.377 4.100 4.450     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1274 1 105 LYS H   1 105 LYS HA   . .  2.800 2.905 2.878 2.939 0.139  5 0 "[    .    1    .    2    .    3  ]" 1 
       1275 1 105 LYS H   1 105 LYS QB   . .  3.460 2.837 2.384 3.192     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1276 1 105 LYS H   1 106 ARG H    . .  4.000 3.483 2.689 4.361 0.361  4 0 "[    .    1    .    2    .    3  ]" 1 
       1277 1 105 LYS HA  1 105 LYS QE   . .  5.880 3.919 1.958 5.149     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1278 1 105 LYS HA  1 105 LYS QG   . .  3.800 2.900 2.636 3.374     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1279 1 105 LYS HA  1 106 ARG H    . .  2.800 2.447 2.176 2.887 0.087  8 0 "[    .    1    .    2    .    3  ]" 1 
       1280 1 105 LYS HA  1 108 VAL MG1  . .  6.500 5.277 5.067 5.415     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1281 1 105 LYS HA  1 108 VAL QG   . .  5.820 3.909 2.639 4.393     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1282 1 105 LYS HA  1 108 VAL MG2  . .  6.500 4.083 2.645 4.811     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1283 1 105 LYS QB  1 105 LYS QE   . .  4.240 2.750 1.901 3.394     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1284 1 105 LYS HB2 1 105 LYS HE2  . .  5.050 3.892 2.150 5.091 0.041 12 0 "[    .    1    .    2    .    3  ]" 1 
       1285 1 105 LYS HB2 1 105 LYS HE3  . .  5.050 4.246 3.140 5.104 0.054 25 0 "[    .    1    .    2    .    3  ]" 1 
       1286 1 105 LYS HB3 1 105 LYS HE2  . .  5.050 3.673 1.964 4.690     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1287 1 105 LYS HB3 1 105 LYS HE3  . .  5.050 3.583 2.065 4.969     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1288 1 105 LYS QD  1 106 ARG H    . .  4.180 3.459 3.065 3.805     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1289 1 105 LYS QD  1 106 ARG HE   . .  4.880 4.127 3.504 4.430     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1290 1 106 ARG H   1 106 ARG HA   . .  2.800 2.812 2.756 2.888 0.088  4 0 "[    .    1    .    2    .    3  ]" 1 
       1291 1 106 ARG H   1 106 ARG HB2  . .  3.300 2.584 2.038 3.550 0.250  9 0 "[    .    1    .    2    .    3  ]" 1 
       1292 1 106 ARG H   1 106 ARG QB   . .  2.930 2.317 2.019 2.798     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1293 1 106 ARG H   1 106 ARG HB3  . .  3.300 3.228 2.610 3.579 0.279 14 0 "[    .    1    .    2    .    3  ]" 1 
       1294 1 106 ARG H   1 106 ARG QG   . .  3.800 2.754 1.669 3.517     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1295 1 106 ARG H   1 107 LYS H    . .  2.800 2.768 2.454 2.973 0.173 32 0 "[    .    1    .    2    .    3  ]" 1 
       1296 1 106 ARG HA  1 106 ARG QD   . .  5.000 3.642 2.295 4.240     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1297 1 106 ARG HA  1 106 ARG HE   . .  6.000 3.899 2.000 5.665     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1298 1 106 ARG HA  1 106 ARG QG   . .  3.800 2.581 2.024 3.392     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1299 1 107 LYS H   1 107 LYS HA   . .  2.800 2.833 2.808 2.889 0.089 30 0 "[    .    1    .    2    .    3  ]" 1 
       1300 1 107 LYS H   1 107 LYS HB2  . .  2.800 2.454 2.035 2.992 0.192 21 0 "[    .    1    .    2    .    3  ]" 1 
       1301 1 107 LYS H   1 107 LYS HB3  . .  2.800 2.626 2.115 3.264 0.464 16 0 "[    .    1    .    2    .    3  ]" 1 
       1302 1 107 LYS H   1 107 LYS QD   . .  5.000 4.494 2.583 4.608     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1303 1 107 LYS H   1 107 LYS HG2  . .  4.000 4.129 4.075 4.354 0.354 17 0 "[    .    1    .    2    .    3  ]" 1 
       1304 1 107 LYS H   1 107 LYS HG3  . .  4.000 4.172 4.063 4.281 0.281  2 0 "[    .    1    .    2    .    3  ]" 1 
       1305 1 107 LYS HA  1 107 LYS QE   . .  5.000 4.252 3.998 4.607     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1306 1 107 LYS HA  1 108 VAL H    . .  2.800 2.404 2.200 2.638     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1307 1 108 VAL H   1 108 VAL HA   . .  2.800 2.892 2.856 2.941 0.141 14 0 "[    .    1    .    2    .    3  ]" 1 
       1308 1 108 VAL H   1 108 VAL HB   . .  2.800 2.750 2.077 2.919 0.119 16 0 "[    .    1    .    2    .    3  ]" 1 
       1309 1 108 VAL H   1 109 ASP H    . .  2.800 2.060 1.899 2.703     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1310 1 108 VAL HA  1 108 VAL HB   . .  2.800 2.915 2.774 2.996 0.196 22 0 "[    .    1    .    2    .    3  ]" 1 
       1311 1 108 VAL HB  1 109 ASP H    . .  3.300 2.851 2.342 3.295     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1312 1 109 ASP H   1 109 ASP HA   . .  2.800 2.657 2.194 2.878 0.078 31 0 "[    .    1    .    2    .    3  ]" 1 
       1313 1 109 ASP H   1 109 ASP HB2  . .  3.300 2.850 2.104 3.176     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1314 1 109 ASP H   1 109 ASP QB   . .  2.930 2.592 2.075 2.798     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1315 1 109 ASP H   1 109 ASP HB3  . .  3.300 3.084 2.369 3.361 0.061  1 0 "[    .    1    .    2    .    3  ]" 1 
       1316 1 109 ASP H   1 110 THR H    . .  3.300 3.179 2.661 3.317 0.017  7 0 "[    .    1    .    2    .    3  ]" 1 
       1317 1 109 ASP HA  1 110 THR H    . .  3.300 2.615 2.414 3.154     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1318 1 109 ASP QB  1 110 THR MG   . .  7.380 4.950 3.364 5.487     .  0 0 "[    .    1    .    2    .    3  ]" 1 
       1319 1 110 THR H   1 110 THR HA   . .  2.800 2.502 2.223 2.828 0.028 25 0 "[    .    1    .    2    .    3  ]" 1 
    stop_

save_



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

Contact the webmaster for help, if required. Friday, March 29, 2024 4:49:33 AM GMT (wattos1)