NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
446989 2ko7 16491 cing 4-filtered-FRED Wattos check violation distance


data_2ko7


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              1691
    _Distance_constraint_stats_list.Viol_count                    1154
    _Distance_constraint_stats_list.Viol_total                    799.366
    _Distance_constraint_stats_list.Viol_max                      0.316
    _Distance_constraint_stats_list.Viol_rms                      0.0103
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0012
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0346
    _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   4 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1   5 MET 0.000 0.000  4 0 "[    .    1    .    2]" 
       1   6 THR 0.039 0.039 10 0 "[    .    1    .    2]" 
       1   7 VAL 0.088 0.039 10 0 "[    .    1    .    2]" 
       1   8 VAL 0.033 0.029  9 0 "[    .    1    .    2]" 
       1   9 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  10 THR 0.018 0.013  9 0 "[    .    1    .    2]" 
       1  11 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  12 SER 0.021 0.006  5 0 "[    .    1    .    2]" 
       1  13 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  14 LEU 0.055 0.020 14 0 "[    .    1    .    2]" 
       1  15 LYS 0.182 0.080 15 0 "[    .    1    .    2]" 
       1  16 TYR 0.377 0.057  3 0 "[    .    1    .    2]" 
       1  17 GLU 0.001 0.001  1 0 "[    .    1    .    2]" 
       1  18 ASP 0.242 0.152  9 0 "[    .    1    .    2]" 
       1  19 LEU 0.655 0.152  9 0 "[    .    1    .    2]" 
       1  20 THR 0.158 0.029 16 0 "[    .    1    .    2]" 
       1  21 GLU 0.000 0.000  2 0 "[    .    1    .    2]" 
       1  22 GLY 0.048 0.017  9 0 "[    .    1    .    2]" 
       1  23 SER 0.063 0.014 10 0 "[    .    1    .    2]" 
       1  24 GLY 0.107 0.017  9 0 "[    .    1    .    2]" 
       1  25 ALA 0.016 0.007 11 0 "[    .    1    .    2]" 
       1  26 GLU 0.160 0.028  8 0 "[    .    1    .    2]" 
       1  27 ALA 0.080 0.021  7 0 "[    .    1    .    2]" 
       1  28 ARG 1.210 0.061 13 0 "[    .    1    .    2]" 
       1  29 ALA 0.700 0.061 13 0 "[    .    1    .    2]" 
       1  30 GLY 0.025 0.025 11 0 "[    .    1    .    2]" 
       1  31 GLN 0.579 0.060 11 0 "[    .    1    .    2]" 
       1  32 THR 0.008 0.008  5 0 "[    .    1    .    2]" 
       1  33 VAL 0.982 0.058 13 0 "[    .    1    .    2]" 
       1  34 SER 0.238 0.045  4 0 "[    .    1    .    2]" 
       1  35 VAL 0.497 0.049 14 0 "[    .    1    .    2]" 
       1  36 HIS 2.292 0.139  6 0 "[    .    1    .    2]" 
       1  37 TYR 0.007 0.004 20 0 "[    .    1    .    2]" 
       1  38 THR 0.597 0.059  2 0 "[    .    1    .    2]" 
       1  39 GLY 0.139 0.031 19 0 "[    .    1    .    2]" 
       1  40 TRP 4.334 0.316 19 0 "[    .    1    .    2]" 
       1  41 LEU 0.584 0.085 14 0 "[    .    1    .    2]" 
       1  42 THR 1.158 0.080  8 0 "[    .    1    .    2]" 
       1  43 ASP 0.030 0.030 10 0 "[    .    1    .    2]" 
       1  44 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  45 GLN 1.842 0.204 13 0 "[    .    1    .    2]" 
       1  46 LYS 1.866 0.316 19 0 "[    .    1    .    2]" 
       1  47 PHE 0.338 0.047 15 0 "[    .    1    .    2]" 
       1  48 ASP 0.116 0.027 11 0 "[    .    1    .    2]" 
       1  49 SER 0.066 0.039  3 0 "[    .    1    .    2]" 
       1  50 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  51 LYS 0.041 0.014 19 0 "[    .    1    .    2]" 
       1  52 ASP 0.043 0.039  3 0 "[    .    1    .    2]" 
       1  53 ARG 0.139 0.088 18 0 "[    .    1    .    2]" 
       1  54 ASN 0.115 0.035  3 0 "[    .    1    .    2]" 
       1  55 ASP 0.323 0.114 12 0 "[    .    1    .    2]" 
       1  56 PRO 0.902 0.102 12 0 "[    .    1    .    2]" 
       1  57 PHE 0.269 0.027 10 0 "[    .    1    .    2]" 
       1  58 ALA 0.103 0.033 15 0 "[    .    1    .    2]" 
       1  59 PHE 1.125 0.072 11 0 "[    .    1    .    2]" 
       1  60 VAL 0.177 0.053 13 0 "[    .    1    .    2]" 
       1  61 LEU 0.419 0.055 20 0 "[    .    1    .    2]" 
       1  62 GLY 0.133 0.025 16 0 "[    .    1    .    2]" 
       1  63 GLY 0.272 0.053 13 0 "[    .    1    .    2]" 
       1  64 GLY 0.332 0.048 13 0 "[    .    1    .    2]" 
       1  65 MET 0.755 0.121 17 0 "[    .    1    .    2]" 
       1  66 VAL 1.161 0.094 17 0 "[    .    1    .    2]" 
       1  67 ILE 0.351 0.051  3 0 "[    .    1    .    2]" 
       1  68 LYS 0.041 0.016 12 0 "[    .    1    .    2]" 
       1  69 GLY 0.088 0.038  3 0 "[    .    1    .    2]" 
       1  70 TRP 1.269 0.109 17 0 "[    .    1    .    2]" 
       1  71 ASP 0.128 0.023 11 0 "[    .    1    .    2]" 
       1  72 GLU 0.090 0.040  6 0 "[    .    1    .    2]" 
       1  73 GLY 1.795 0.109 17 0 "[    .    1    .    2]" 
       1  74 VAL 0.512 0.077 17 0 "[    .    1    .    2]" 
       1  75 GLN 2.074 0.258 17 0 "[    .    1    .    2]" 
       1  76 GLY 1.679 0.258 17 0 "[    .    1    .    2]" 
       1  77 MET 0.126 0.057 17 0 "[    .    1    .    2]" 
       1  78 LYS 0.137 0.049 18 0 "[    .    1    .    2]" 
       1  79 VAL 0.604 0.137 14 0 "[    .    1    .    2]" 
       1  80 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  81 GLY 0.031 0.013  3 0 "[    .    1    .    2]" 
       1  82 VAL 0.158 0.029 16 0 "[    .    1    .    2]" 
       1  83 ARG 0.280 0.044 13 0 "[    .    1    .    2]" 
       1  84 ARG 0.102 0.026 15 0 "[    .    1    .    2]" 
       1  85 LEU 0.709 0.077 17 0 "[    .    1    .    2]" 
       1  86 THR 0.562 0.244  1 0 "[    .    1    .    2]" 
       1  87 ILE 0.659 0.051  3 0 "[    .    1    .    2]" 
       1  88 PRO 2.067 0.104 17 0 "[    .    1    .    2]" 
       1  89 PRO 0.071 0.024 16 0 "[    .    1    .    2]" 
       1  90 GLN 0.215 0.064 14 0 "[    .    1    .    2]" 
       1  91 LEU 0.692 0.064 14 0 "[    .    1    .    2]" 
       1  92 GLY 1.833 0.104 17 0 "[    .    1    .    2]" 
       1  93 TYR 1.044 0.066 17 0 "[    .    1    .    2]" 
       1  94 GLY 0.029 0.019 13 0 "[    .    1    .    2]" 
       1  95 ALA 2.758 0.140 17 0 "[    .    1    .    2]" 
       1  96 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  97 GLY 0.256 0.048 20 0 "[    .    1    .    2]" 
       1  98 ALA 0.162 0.075 20 0 "[    .    1    .    2]" 
       1  99 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 101 VAL 0.294 0.144 20 0 "[    .    1    .    2]" 
       1 102 ILE 3.041 0.221 20 0 "[    .    1    .    2]" 
       1 103 PRO 1.018 0.182 20 0 "[    .    1    .    2]" 
       1 104 PRO 4.234 0.225 17 0 "[    .    1    .    2]" 
       1 105 ASN 3.003 0.177 20 0 "[    .    1    .    2]" 
       1 106 ALA 4.229 0.225 17 0 "[    .    1    .    2]" 
       1 107 THR 0.148 0.040  3 0 "[    .    1    .    2]" 
       1 108 LEU 0.469 0.040  3 0 "[    .    1    .    2]" 
       1 109 VAL 3.183 0.244  1 0 "[    .    1    .    2]" 
       1 110 PHE 1.308 0.068  3 0 "[    .    1    .    2]" 
       1 111 GLU 2.593 0.186  8 0 "[    .    1    .    2]" 
       1 112 VAL 0.660 0.068  3 0 "[    .    1    .    2]" 
       1 113 GLU 1.157 0.139  6 0 "[    .    1    .    2]" 
       1 114 LEU 1.422 0.149 11 0 "[    .    1    .    2]" 
       1 115 LEU 1.943 0.149 11 0 "[    .    1    .    2]" 
       1 116 ASP 0.411 0.045  4 0 "[    .    1    .    2]" 
       1 117 VAL 0.462 0.137 14 0 "[    .    1    .    2]" 
    stop_

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

          1 1   4 SER QB   1   5 MET H    . . 4.950 3.283 2.099 4.025     .  0 0 "[    .    1    .    2]" 1 
          2 1   5 MET HA   1   6 THR H    . . 3.480 2.419 2.156 2.961     .  0 0 "[    .    1    .    2]" 1 
          3 1   5 MET QB   1   6 THR H    . . 4.010 3.524 2.467 4.010 0.000  4 0 "[    .    1    .    2]" 1 
          4 1   5 MET HB2  1   6 THR H    . . 4.680 4.146 2.630 4.661     .  0 0 "[    .    1    .    2]" 1 
          5 1   5 MET HB3  1   6 THR H    . . 4.680 3.970 2.510 4.491     .  0 0 "[    .    1    .    2]" 1 
          6 1   6 THR H    1   6 THR HB   . . 3.940 3.356 2.586 3.910     .  0 0 "[    .    1    .    2]" 1 
          7 1   6 THR H    1   6 THR MG   . . 4.270 2.810 1.916 3.893     .  0 0 "[    .    1    .    2]" 1 
          8 1   6 THR H    1   7 VAL H    . . 4.510 4.202 3.715 4.498     .  0 0 "[    .    1    .    2]" 1 
          9 1   6 THR HA   1   6 THR MG   . . 3.340 2.526 2.043 3.207     .  0 0 "[    .    1    .    2]" 1 
         10 1   6 THR HA   1   7 VAL H    . . 2.940 2.303 2.142 2.616     .  0 0 "[    .    1    .    2]" 1 
         11 1   6 THR HB   1   7 VAL H    . . 4.320 3.845 1.949 4.359 0.039 10 0 "[    .    1    .    2]" 1 
         12 1   6 THR MG   1   7 VAL H    . . 4.210 3.742 2.465 4.210 0.000  3 0 "[    .    1    .    2]" 1 
         13 1   7 VAL H    1   7 VAL HB   . . 3.160 2.708 2.507 3.142     .  0 0 "[    .    1    .    2]" 1 
         14 1   7 VAL H    1   7 VAL MG1  . . 4.050 3.292 1.937 3.939     .  0 0 "[    .    1    .    2]" 1 
         15 1   7 VAL H    1   7 VAL QG   . . 3.120 2.297 1.931 2.730     .  0 0 "[    .    1    .    2]" 1 
         16 1   7 VAL H    1   7 VAL MG2  . . 4.050 2.862 2.120 3.920     .  0 0 "[    .    1    .    2]" 1 
         17 1   7 VAL H    1   8 VAL H    . . 4.850 4.417 4.083 4.592     .  0 0 "[    .    1    .    2]" 1 
         18 1   7 VAL HA   1   7 VAL MG1  . . 3.250 2.580 2.214 3.204     .  0 0 "[    .    1    .    2]" 1 
         19 1   7 VAL HA   1   7 VAL QG   . . 2.830 2.153 2.042 2.321     .  0 0 "[    .    1    .    2]" 1 
         20 1   7 VAL HA   1   7 VAL MG2  . . 3.250 2.385 2.209 2.472     .  0 0 "[    .    1    .    2]" 1 
         21 1   7 VAL HA   1   8 VAL H    . . 3.090 2.174 2.141 2.268     .  0 0 "[    .    1    .    2]" 1 
         22 1   7 VAL HA   1  16 TYR H    . . 5.000 4.786 4.388 5.011 0.011 12 0 "[    .    1    .    2]" 1 
         23 1   7 VAL HA   1  17 GLU HA   . . 4.340 4.005 3.157 4.341 0.001  1 0 "[    .    1    .    2]" 1 
         24 1   7 VAL HB   1   8 VAL H    . . 4.590 4.134 3.755 4.426     .  0 0 "[    .    1    .    2]" 1 
         25 1   7 VAL QG   1   8 VAL H    . . 3.420 2.517 2.121 3.131     .  0 0 "[    .    1    .    2]" 1 
         26 1   7 VAL QG   1  15 LYS QB   . . 3.820 1.992 1.773 3.053     .  0 0 "[    .    1    .    2]" 1 
         27 1   7 VAL QG   1  15 LYS QD   . . 3.680 2.469 1.725 3.547     .  0 0 "[    .    1    .    2]" 1 
         28 1   7 VAL QG   1  16 TYR H    . . 4.020 3.060 2.323 3.559     .  0 0 "[    .    1    .    2]" 1 
         29 1   7 VAL QG   1  17 GLU H    . . 4.920 4.270 3.450 4.909     .  0 0 "[    .    1    .    2]" 1 
         30 1   7 VAL QG   1  86 THR H    . . 5.440 4.132 3.507 5.157     .  0 0 "[    .    1    .    2]" 1 
         31 1   7 VAL MG1  1   8 VAL H    . . 4.190 2.973 2.129 4.062     .  0 0 "[    .    1    .    2]" 1 
         32 1   7 VAL MG2  1   8 VAL H    . . 4.190 3.626 2.321 4.219 0.029  9 0 "[    .    1    .    2]" 1 
         33 1   8 VAL H    1   8 VAL HB   . . 3.340 2.599 2.510 2.735     .  0 0 "[    .    1    .    2]" 1 
         34 1   8 VAL H    1   8 VAL MG1  . . 3.880 3.812 3.769 3.881 0.001 15 0 "[    .    1    .    2]" 1 
         35 1   8 VAL H    1   8 VAL QG   . . 3.110 2.418 2.037 2.896     .  0 0 "[    .    1    .    2]" 1 
         36 1   8 VAL H    1   8 VAL MG2  . . 3.880 2.452 2.045 2.988     .  0 0 "[    .    1    .    2]" 1 
         37 1   8 VAL H    1  16 TYR H    . . 3.800 3.366 2.937 3.752     .  0 0 "[    .    1    .    2]" 1 
         38 1   8 VAL HA   1   8 VAL MG1  . . 3.370 2.327 2.224 2.400     .  0 0 "[    .    1    .    2]" 1 
         39 1   8 VAL HA   1   8 VAL QG   . . 2.860 2.084 2.058 2.119     .  0 0 "[    .    1    .    2]" 1 
         40 1   8 VAL HA   1   8 VAL MG2  . . 3.370 2.360 2.280 2.450     .  0 0 "[    .    1    .    2]" 1 
         41 1   8 VAL HA   1   9 THR H    . . 2.680 2.176 2.141 2.248     .  0 0 "[    .    1    .    2]" 1 
         42 1   8 VAL HB   1  16 TYR H    . . 5.010 3.468 3.199 4.087     .  0 0 "[    .    1    .    2]" 1 
         43 1   8 VAL HB   1  16 TYR QD   . . 4.760 3.207 2.906 3.521     .  0 0 "[    .    1    .    2]" 1 
         44 1   8 VAL QG   1   9 THR H    . . 3.200 2.460 2.147 2.720     .  0 0 "[    .    1    .    2]" 1 
         45 1   8 VAL QG   1  10 THR H    . . 4.810 4.654 4.313 4.809     .  0 0 "[    .    1    .    2]" 1 
         46 1   8 VAL QG   1  10 THR MG   . . 3.770 3.570 3.259 3.761     .  0 0 "[    .    1    .    2]" 1 
         47 1   8 VAL QG   1  16 TYR H    . . 5.260 3.943 3.813 4.251     .  0 0 "[    .    1    .    2]" 1 
         48 1   8 VAL QG   1  16 TYR QD   . . 4.010 3.303 3.155 3.649     .  0 0 "[    .    1    .    2]" 1 
         49 1   8 VAL QG   1  16 TYR QE   . . 3.240 2.060 1.938 2.522     .  0 0 "[    .    1    .    2]" 1 
         50 1   8 VAL MG1  1  16 TYR QD   . . 4.850 3.415 3.240 3.797     .  0 0 "[    .    1    .    2]" 1 
         51 1   8 VAL MG1  1  16 TYR QE   . . 3.790 2.075 1.945 2.576     .  0 0 "[    .    1    .    2]" 1 
         52 1   8 VAL MG2  1  16 TYR QD   . . 4.850 4.409 4.072 4.728     .  0 0 "[    .    1    .    2]" 1 
         53 1   8 VAL MG2  1  16 TYR QE   . . 3.790 3.551 3.238 3.791 0.001 16 0 "[    .    1    .    2]" 1 
         54 1   9 THR H    1   9 THR MG   . . 4.040 3.852 3.825 3.900     .  0 0 "[    .    1    .    2]" 1 
         55 1   9 THR H    1  16 TYR H    . . 5.370 5.069 4.920 5.108     .  0 0 "[    .    1    .    2]" 1 
         56 1   9 THR HA   1   9 THR MG   . . 3.290 2.166 2.056 2.325     .  0 0 "[    .    1    .    2]" 1 
         57 1   9 THR HA   1  10 THR H    . . 3.010 2.306 2.218 2.390     .  0 0 "[    .    1    .    2]" 1 
         58 1   9 THR HA   1  10 THR MG   . . 4.430 3.551 3.362 3.761     .  0 0 "[    .    1    .    2]" 1 
         59 1   9 THR HA   1  15 LYS HA   . . 3.330 2.163 2.000 2.394     .  0 0 "[    .    1    .    2]" 1 
         60 1   9 THR HA   1  16 TYR H    . . 4.200 3.727 3.402 3.864     .  0 0 "[    .    1    .    2]" 1 
         61 1   9 THR MG   1  10 THR H    . . 3.520 2.009 1.893 2.449     .  0 0 "[    .    1    .    2]" 1 
         62 1   9 THR MG   1  13 GLY H    . . 4.200 3.513 3.294 3.791     .  0 0 "[    .    1    .    2]" 1 
         63 1   9 THR MG   1  13 GLY HA2  . . 4.440 2.769 2.476 3.258     .  0 0 "[    .    1    .    2]" 1 
         64 1   9 THR MG   1  13 GLY QA   . . 3.570 2.722 2.444 3.180     .  0 0 "[    .    1    .    2]" 1 
         65 1   9 THR MG   1  13 GLY HA3  . . 4.440 4.022 3.752 4.437     .  0 0 "[    .    1    .    2]" 1 
         66 1   9 THR MG   1  15 LYS HA   . . 4.010 3.301 2.567 3.763     .  0 0 "[    .    1    .    2]" 1 
         67 1   9 THR MG   1  15 LYS QD   . . 4.670 3.319 1.919 3.631     .  0 0 "[    .    1    .    2]" 1 
         68 1   9 THR MG   1  15 LYS QE   . . 3.590 2.778 1.921 3.568     .  0 0 "[    .    1    .    2]" 1 
         69 1   9 THR MG   1  15 LYS QG   . . 3.990 2.234 1.873 3.790     .  0 0 "[    .    1    .    2]" 1 
         70 1  10 THR H    1  10 THR MG   . . 3.140 2.654 2.394 2.880     .  0 0 "[    .    1    .    2]" 1 
         71 1  10 THR H    1  15 LYS HA   . . 4.160 3.205 2.776 3.539     .  0 0 "[    .    1    .    2]" 1 
         72 1  10 THR HA   1  10 THR MG   . . 3.400 2.334 2.196 2.441     .  0 0 "[    .    1    .    2]" 1 
         73 1  10 THR HA   1  11 GLU H    . . 2.890 2.593 2.331 2.662     .  0 0 "[    .    1    .    2]" 1 
         74 1  10 THR HA   1  11 GLU QB   . . 4.850 4.520 4.194 4.830     .  0 0 "[    .    1    .    2]" 1 
         75 1  10 THR HB   1  11 GLU QB   . . 5.060 3.995 3.719 4.425     .  0 0 "[    .    1    .    2]" 1 
         76 1  10 THR HB   1  12 SER H    . . 3.700 2.839 2.576 2.966     .  0 0 "[    .    1    .    2]" 1 
         77 1  10 THR MG   1  11 GLU H    . . 3.950 3.608 3.429 3.787     .  0 0 "[    .    1    .    2]" 1 
         78 1  10 THR MG   1  12 SER H    . . 4.270 4.199 4.142 4.260     .  0 0 "[    .    1    .    2]" 1 
         79 1  10 THR MG   1  14 LEU QB   . . 4.360 3.573 2.790 4.336     .  0 0 "[    .    1    .    2]" 1 
         80 1  10 THR MG   1  14 LEU MD2  . . 3.290 2.563 2.150 3.105     .  0 0 "[    .    1    .    2]" 1 
         81 1  10 THR MG   1  16 TYR QD   . . 3.740 2.903 2.621 3.206     .  0 0 "[    .    1    .    2]" 1 
         82 1  10 THR MG   1  16 TYR QE   . . 3.450 3.317 3.013 3.463 0.013  9 0 "[    .    1    .    2]" 1 
         83 1  11 GLU H    1  11 GLU QB   . . 3.130 2.359 2.186 2.666     .  0 0 "[    .    1    .    2]" 1 
         84 1  11 GLU H    1  11 GLU QG   . . 4.050 3.036 1.961 4.009     .  0 0 "[    .    1    .    2]" 1 
         85 1  11 GLU H    1  12 SER H    . . 3.990 2.503 2.389 2.721     .  0 0 "[    .    1    .    2]" 1 
         86 1  11 GLU HA   1  11 GLU QG   . . 3.460 2.699 2.295 3.459     .  0 0 "[    .    1    .    2]" 1 
         87 1  11 GLU QB   1  12 SER H    . . 3.760 3.039 2.764 3.622     .  0 0 "[    .    1    .    2]" 1 
         88 1  11 GLU QG   1  12 SER H    . . 4.630 3.702 2.228 4.561     .  0 0 "[    .    1    .    2]" 1 
         89 1  12 SER H    1  12 SER QB   . . 3.490 2.491 2.212 2.923     .  0 0 "[    .    1    .    2]" 1 
         90 1  12 SER H    1  13 GLY H    . . 3.450 2.457 2.291 2.624     .  0 0 "[    .    1    .    2]" 1 
         91 1  12 SER H    1  14 LEU H    . . 4.420 4.300 4.065 4.426 0.006  5 0 "[    .    1    .    2]" 1 
         92 1  12 SER QB   1  13 GLY H    . . 4.080 3.072 2.566 3.713     .  0 0 "[    .    1    .    2]" 1 
         93 1  12 SER QB   1  91 LEU QD   . . 3.510 2.993 1.937 3.513 0.003  9 0 "[    .    1    .    2]" 1 
         94 1  12 SER HB2  1  91 LEU MD1  . . 5.500 4.342 2.761 5.461     .  0 0 "[    .    1    .    2]" 1 
         95 1  12 SER HB2  1  91 LEU MD2  . . 5.500 3.905 2.264 4.932     .  0 0 "[    .    1    .    2]" 1 
         96 1  12 SER HB3  1  91 LEU MD1  . . 5.500 4.221 3.088 5.455     .  0 0 "[    .    1    .    2]" 1 
         97 1  12 SER HB3  1  91 LEU MD2  . . 5.500 3.820 1.975 4.994     .  0 0 "[    .    1    .    2]" 1 
         98 1  13 GLY H    1  14 LEU H    . . 3.360 2.620 2.381 3.230     .  0 0 "[    .    1    .    2]" 1 
         99 1  14 LEU H    1  14 LEU HB2  . . 3.310 2.679 2.376 2.867     .  0 0 "[    .    1    .    2]" 1 
        100 1  14 LEU H    1  14 LEU HB3  . . 3.310 2.354 2.242 2.643     .  0 0 "[    .    1    .    2]" 1 
        101 1  14 LEU H    1  14 LEU MD1  . . 4.350 4.245 3.918 4.334     .  0 0 "[    .    1    .    2]" 1 
        102 1  14 LEU H    1  14 LEU MD2  . . 4.260 3.891 3.695 4.250     .  0 0 "[    .    1    .    2]" 1 
        103 1  14 LEU H    1  14 LEU HG   . . 4.480 4.474 4.449 4.485 0.005 16 0 "[    .    1    .    2]" 1 
        104 1  14 LEU HA   1  14 LEU MD1  . . 3.660 3.420 2.733 3.587     .  0 0 "[    .    1    .    2]" 1 
        105 1  14 LEU HA   1  14 LEU MD2  . . 3.860 3.650 3.530 3.880 0.020 14 0 "[    .    1    .    2]" 1 
        106 1  14 LEU HA   1  14 LEU HG   . . 4.100 2.690 2.605 2.742     .  0 0 "[    .    1    .    2]" 1 
        107 1  14 LEU HA   1  15 LYS H    . . 3.200 2.233 2.160 2.274     .  0 0 "[    .    1    .    2]" 1 
        108 1  14 LEU HA   1  88 PRO HD2  . . 4.390 3.202 2.731 3.862     .  0 0 "[    .    1    .    2]" 1 
        109 1  14 LEU QB   1  15 LYS H    . . 4.370 3.540 3.481 3.703     .  0 0 "[    .    1    .    2]" 1 
        110 1  14 LEU HB2  1  14 LEU MD2  . . 3.450 3.057 2.758 3.120     .  0 0 "[    .    1    .    2]" 1 
        111 1  14 LEU HB3  1  14 LEU MD2  . . 3.450 2.042 1.955 2.187     .  0 0 "[    .    1    .    2]" 1 
        112 1  14 LEU MD1  1  15 LYS H    . . 3.950 3.756 3.410 3.953 0.003 16 0 "[    .    1    .    2]" 1 
        113 1  14 LEU MD1  1  69 GLY H    . . 5.370 4.687 4.164 5.195     .  0 0 "[    .    1    .    2]" 1 
        114 1  14 LEU MD1  1  69 GLY HA2  . . 4.180 2.686 2.111 3.421     .  0 0 "[    .    1    .    2]" 1 
        115 1  14 LEU MD1  1  69 GLY HA3  . . 4.180 3.087 2.537 3.700     .  0 0 "[    .    1    .    2]" 1 
        116 1  14 LEU MD1  1  85 LEU HA   . . 5.020 4.595 4.232 4.985     .  0 0 "[    .    1    .    2]" 1 
        117 1  14 LEU MD1  1  85 LEU HB2  . . 4.280 3.413 2.526 4.064     .  0 0 "[    .    1    .    2]" 1 
        118 1  14 LEU MD1  1  85 LEU QB   . . 3.630 2.645 2.325 3.237     .  0 0 "[    .    1    .    2]" 1 
        119 1  14 LEU MD1  1  85 LEU HB3  . . 4.280 2.835 2.348 3.817     .  0 0 "[    .    1    .    2]" 1 
        120 1  14 LEU MD1  1  86 THR H    . . 4.530 4.200 3.894 4.514     .  0 0 "[    .    1    .    2]" 1 
        121 1  14 LEU MD1  1  87 ILE HA   . . 4.070 2.500 1.895 2.990     .  0 0 "[    .    1    .    2]" 1 
        122 1  14 LEU MD1  1  87 ILE QG   . . 3.450 2.038 1.782 2.331     .  0 0 "[    .    1    .    2]" 1 
        123 1  14 LEU MD1  1  88 PRO HD2  . . 4.350 2.992 2.206 3.515     .  0 0 "[    .    1    .    2]" 1 
        124 1  14 LEU MD1  1  88 PRO HD3  . . 4.370 3.627 2.582 4.123     .  0 0 "[    .    1    .    2]" 1 
        125 1  14 LEU MD2  1  15 LYS H    . . 4.360 3.246 2.908 4.146     .  0 0 "[    .    1    .    2]" 1 
        126 1  14 LEU MD2  1  85 LEU QB   . . 3.920 2.773 1.969 3.403     .  0 0 "[    .    1    .    2]" 1 
        127 1  14 LEU MD2  1  86 THR H    . . 5.170 4.005 3.664 4.871     .  0 0 "[    .    1    .    2]" 1 
        128 1  14 LEU HG   1  15 LYS H    . . 3.410 2.194 2.008 2.595     .  0 0 "[    .    1    .    2]" 1 
        129 1  14 LEU HG   1  86 THR H    . . 4.580 3.406 3.062 3.825     .  0 0 "[    .    1    .    2]" 1 
        130 1  15 LYS H    1  15 LYS QD   . . 4.200 3.692 2.306 4.198     .  0 0 "[    .    1    .    2]" 1 
        131 1  15 LYS H    1  15 LYS HG2  . . 4.390 3.757 2.238 4.378     .  0 0 "[    .    1    .    2]" 1 
        132 1  15 LYS H    1  15 LYS HG3  . . 4.390 2.871 2.394 4.078     .  0 0 "[    .    1    .    2]" 1 
        133 1  15 LYS H    1  86 THR H    . . 4.480 2.819 2.676 3.055     .  0 0 "[    .    1    .    2]" 1 
        134 1  15 LYS H    1  86 THR HB   . . 4.040 2.372 2.074 2.637     .  0 0 "[    .    1    .    2]" 1 
        135 1  15 LYS HA   1  15 LYS QD   . . 4.360 3.935 2.336 4.440 0.080 15 0 "[    .    1    .    2]" 1 
        136 1  15 LYS HA   1  15 LYS HG2  . . 3.850 2.943 2.689 3.611     .  0 0 "[    .    1    .    2]" 1 
        137 1  15 LYS HA   1  15 LYS QG   . . 3.360 2.593 2.355 3.271     .  0 0 "[    .    1    .    2]" 1 
        138 1  15 LYS HA   1  15 LYS HG3  . . 3.850 3.056 2.393 3.861 0.011  4 0 "[    .    1    .    2]" 1 
        139 1  15 LYS HA   1  16 TYR H    . . 3.120 2.414 2.367 2.484     .  0 0 "[    .    1    .    2]" 1 
        140 1  15 LYS HA   1  16 TYR QD   . . 4.390 3.244 2.942 3.576     .  0 0 "[    .    1    .    2]" 1 
        141 1  15 LYS QB   1  16 TYR H    . . 3.840 2.421 2.297 2.593     .  0 0 "[    .    1    .    2]" 1 
        142 1  15 LYS QB   1  16 TYR QD   . . 4.620 4.335 4.067 4.625 0.005 14 0 "[    .    1    .    2]" 1 
        143 1  15 LYS QB   1  86 THR H    . . 4.790 2.721 2.328 3.918     .  0 0 "[    .    1    .    2]" 1 
        144 1  15 LYS QB   1  86 THR HB   . . 3.330 2.157 1.996 3.082     .  0 0 "[    .    1    .    2]" 1 
        145 1  15 LYS QB   1  86 THR MG   . . 3.940 3.482 3.330 3.996 0.056 15 0 "[    .    1    .    2]" 1 
        146 1  15 LYS QE   1  15 LYS QG   . . 3.060 2.175 2.005 2.362     .  0 0 "[    .    1    .    2]" 1 
        147 1  15 LYS QE   1  86 THR MG   . . 4.510 3.242 1.950 4.535 0.025 15 0 "[    .    1    .    2]" 1 
        148 1  15 LYS QG   1  16 TYR H    . . 4.490 3.948 2.858 4.451     .  0 0 "[    .    1    .    2]" 1 
        149 1  15 LYS QG   1  86 THR H    . . 5.340 4.225 1.917 4.833     .  0 0 "[    .    1    .    2]" 1 
        150 1  15 LYS QG   1  86 THR MG   . . 4.550 3.605 2.742 4.551 0.001 14 0 "[    .    1    .    2]" 1 
        151 1  16 TYR H    1  16 TYR QD   . . 4.330 2.450 2.030 2.989     .  0 0 "[    .    1    .    2]" 1 
        152 1  16 TYR HA   1  16 TYR QD   . . 4.240 3.716 3.685 3.733     .  0 0 "[    .    1    .    2]" 1 
        153 1  16 TYR HA   1  17 GLU H    . . 3.220 2.205 2.167 2.285     .  0 0 "[    .    1    .    2]" 1 
        154 1  16 TYR HA   1  85 LEU HA   . . 3.800 2.024 1.959 2.183     .  0 0 "[    .    1    .    2]" 1 
        155 1  16 TYR HA   1  85 LEU QD   . . 3.970 2.817 1.985 3.462     .  0 0 "[    .    1    .    2]" 1 
        156 1  16 TYR HA   1  86 THR H    . . 4.200 3.337 3.191 3.476     .  0 0 "[    .    1    .    2]" 1 
        157 1  16 TYR QB   1  17 GLU H    . . 3.650 2.991 2.739 3.114     .  0 0 "[    .    1    .    2]" 1 
        158 1  16 TYR QB   1  85 LEU HA   . . 3.920 3.466 3.347 3.611     .  0 0 "[    .    1    .    2]" 1 
        159 1  16 TYR QB   1  85 LEU QB   . . 4.460 3.504 2.497 4.015     .  0 0 "[    .    1    .    2]" 1 
        160 1  16 TYR QB   1  85 LEU QD   . . 3.230 2.032 1.747 2.782     .  0 0 "[    .    1    .    2]" 1 
        161 1  16 TYR HB2  1  85 LEU HA   . . 4.570 3.889 3.790 4.058     .  0 0 "[    .    1    .    2]" 1 
        162 1  16 TYR HB3  1  85 LEU HA   . . 4.570 3.896 3.713 4.129     .  0 0 "[    .    1    .    2]" 1 
        163 1  16 TYR QD   1  17 GLU H    . . 4.330 3.870 3.271 4.298     .  0 0 "[    .    1    .    2]" 1 
        164 1  16 TYR QD   1  83 ARG QD   . . 4.370 2.753 1.979 3.402     .  0 0 "[    .    1    .    2]" 1 
        165 1  16 TYR QD   1  83 ARG QG   . . 4.850 4.605 3.783 4.894 0.044 13 0 "[    .    1    .    2]" 1 
        166 1  16 TYR QD   1  85 LEU QD   . . 4.080 3.619 3.388 4.137 0.057  3 0 "[    .    1    .    2]" 1 
        167 1  16 TYR QE   1  83 ARG HD2  . . 5.380 5.029 4.076 5.417 0.037  9 0 "[    .    1    .    2]" 1 
        168 1  16 TYR QE   1  83 ARG HD3  . . 5.380 4.812 4.152 5.363     .  0 0 "[    .    1    .    2]" 1 
        169 1  17 GLU H    1  17 GLU HB2  . . 4.010 3.167 2.660 3.871     .  0 0 "[    .    1    .    2]" 1 
        170 1  17 GLU H    1  17 GLU QB   . . 3.450 2.696 2.552 3.257     .  0 0 "[    .    1    .    2]" 1 
        171 1  17 GLU H    1  17 GLU HB3  . . 4.010 3.007 2.668 3.504     .  0 0 "[    .    1    .    2]" 1 
        172 1  17 GLU H    1  83 ARG QG   . . 5.340 4.379 1.973 5.276     .  0 0 "[    .    1    .    2]" 1 
        173 1  17 GLU H    1  84 ARG H    . . 3.860 3.255 2.909 3.628     .  0 0 "[    .    1    .    2]" 1 
        174 1  17 GLU H    1  85 LEU QD   . . 5.090 3.671 2.751 4.059     .  0 0 "[    .    1    .    2]" 1 
        175 1  17 GLU HA   1  18 ASP H    . . 3.070 2.138 2.137 2.144     .  0 0 "[    .    1    .    2]" 1 
        176 1  17 GLU HA   1  18 ASP QB   . . 4.500 4.222 4.047 4.404     .  0 0 "[    .    1    .    2]" 1 
        177 1  18 ASP H    1  18 ASP HB2  . . 3.860 2.871 2.216 3.600     .  0 0 "[    .    1    .    2]" 1 
        178 1  18 ASP H    1  18 ASP QB   . . 3.250 2.310 2.150 2.504     .  0 0 "[    .    1    .    2]" 1 
        179 1  18 ASP H    1  18 ASP HB3  . . 3.860 2.791 2.285 3.592     .  0 0 "[    .    1    .    2]" 1 
        180 1  18 ASP H    1  19 LEU H    . . 4.940 4.592 4.526 4.635     .  0 0 "[    .    1    .    2]" 1 
        181 1  18 ASP HA   1  19 LEU H    . . 3.400 2.191 2.150 2.269     .  0 0 "[    .    1    .    2]" 1 
        182 1  18 ASP HA   1  19 LEU QB   . . 4.640 4.140 4.051 4.360     .  0 0 "[    .    1    .    2]" 1 
        183 1  18 ASP HA   1  19 LEU HG   . . 5.180 4.518 3.914 5.332 0.152  9 0 "[    .    1    .    2]" 1 
        184 1  18 ASP HA   1  20 THR H    . . 4.370 3.907 3.744 4.369     .  0 0 "[    .    1    .    2]" 1 
        185 1  18 ASP HA   1  83 ARG HG2  . . 5.190 3.476 1.976 4.634     .  0 0 "[    .    1    .    2]" 1 
        186 1  18 ASP HA   1  83 ARG QG   . . 4.510 3.082 1.967 4.078     .  0 0 "[    .    1    .    2]" 1 
        187 1  18 ASP HA   1  83 ARG HG3  . . 5.190 4.003 1.983 4.883     .  0 0 "[    .    1    .    2]" 1 
        188 1  19 LEU H    1  19 LEU QB   . . 3.270 2.419 2.332 2.542     .  0 0 "[    .    1    .    2]" 1 
        189 1  19 LEU H    1  19 LEU MD1  . . 4.490 4.018 2.580 4.470     .  0 0 "[    .    1    .    2]" 1 
        190 1  19 LEU H    1  19 LEU QD   . . 3.920 3.517 2.565 3.776     .  0 0 "[    .    1    .    2]" 1 
        191 1  19 LEU H    1  19 LEU MD2  . . 4.490 4.103 2.771 4.552 0.062  4 0 "[    .    1    .    2]" 1 
        192 1  19 LEU H    1  19 LEU HG   . . 4.580 3.591 2.991 4.148     .  0 0 "[    .    1    .    2]" 1 
        193 1  19 LEU H    1  20 THR H    . . 3.360 1.937 1.882 2.202     .  0 0 "[    .    1    .    2]" 1 
        194 1  19 LEU H    1  82 VAL QG   . . 4.940 4.124 3.861 4.276     .  0 0 "[    .    1    .    2]" 1 
        195 1  19 LEU H    1  83 ARG HA   . . 3.750 2.457 2.105 2.707     .  0 0 "[    .    1    .    2]" 1 
        196 1  19 LEU H    1  83 ARG HB2  . . 4.840 3.899 2.734 4.816     .  0 0 "[    .    1    .    2]" 1 
        197 1  19 LEU H    1  83 ARG QB   . . 4.230 2.944 2.498 3.687     .  0 0 "[    .    1    .    2]" 1 
        198 1  19 LEU H    1  83 ARG HB3  . . 4.840 3.233 2.540 4.695     .  0 0 "[    .    1    .    2]" 1 
        199 1  19 LEU H    1  83 ARG HG2  . . 5.500 3.969 2.111 5.467     .  0 0 "[    .    1    .    2]" 1 
        200 1  19 LEU H    1  83 ARG QG   . . 4.630 3.621 2.099 4.633 0.003  4 0 "[    .    1    .    2]" 1 
        201 1  19 LEU H    1  83 ARG HG3  . . 5.500 4.657 3.671 5.477     .  0 0 "[    .    1    .    2]" 1 
        202 1  19 LEU H    1  84 ARG H    . . 5.170 4.243 3.803 4.549     .  0 0 "[    .    1    .    2]" 1 
        203 1  19 LEU HA   1  19 LEU MD1  . . 3.990 3.670 2.707 3.887     .  0 0 "[    .    1    .    2]" 1 
        204 1  19 LEU HA   1  19 LEU QD   . . 2.900 2.203 1.947 2.964 0.064 17 0 "[    .    1    .    2]" 1 
        205 1  19 LEU HA   1  19 LEU MD2  . . 3.990 2.293 1.978 3.598     .  0 0 "[    .    1    .    2]" 1 
        206 1  19 LEU HA   1  19 LEU HG   . . 3.630 2.832 2.220 3.676 0.046  9 0 "[    .    1    .    2]" 1 
        207 1  19 LEU QB   1  19 LEU QD   . . 2.850 1.902 1.823 1.930     .  0 0 "[    .    1    .    2]" 1 
        208 1  19 LEU QB   1  20 THR H    . . 3.370 2.708 2.433 2.809     .  0 0 "[    .    1    .    2]" 1 
        209 1  19 LEU QB   1  82 VAL HB   . . 4.060 3.187 2.776 3.505     .  0 0 "[    .    1    .    2]" 1 
        210 1  19 LEU QB   1  82 VAL QG   . . 3.700 2.332 2.095 2.613     .  0 0 "[    .    1    .    2]" 1 
        211 1  19 LEU QB   1  83 ARG HA   . . 4.250 2.252 1.981 2.841     .  0 0 "[    .    1    .    2]" 1 
        212 1  19 LEU QB   1 111 GLU HG2  . . 5.280 4.365 4.001 4.800     .  0 0 "[    .    1    .    2]" 1 
        213 1  19 LEU QB   1 111 GLU QG   . . 4.500 3.862 3.581 4.094     .  0 0 "[    .    1    .    2]" 1 
        214 1  19 LEU QB   1 111 GLU HG3  . . 5.280 4.325 3.919 4.646     .  0 0 "[    .    1    .    2]" 1 
        215 1  19 LEU QD   1  40 TRP HH2  . . 4.260 2.553 2.049 3.187     .  0 0 "[    .    1    .    2]" 1 
        216 1  19 LEU QD   1  83 ARG HA   . . 4.400 2.707 1.910 3.364     .  0 0 "[    .    1    .    2]" 1 
        217 1  19 LEU QD   1  84 ARG HA   . . 4.830 3.410 2.968 4.002     .  0 0 "[    .    1    .    2]" 1 
        218 1  19 LEU QD   1  84 ARG QB   . . 3.790 2.071 1.856 2.282     .  0 0 "[    .    1    .    2]" 1 
        219 1  19 LEU QD   1 111 GLU HA   . . 4.520 3.986 3.711 4.566 0.046  9 0 "[    .    1    .    2]" 1 
        220 1  19 LEU QD   1 111 GLU QB   . . 4.160 3.464 2.947 4.009     .  0 0 "[    .    1    .    2]" 1 
        221 1  19 LEU QD   1 111 GLU QG   . . 3.280 2.128 1.854 2.621     .  0 0 "[    .    1    .    2]" 1 
        222 1  19 LEU QD   1 112 VAL H    . . 5.120 4.577 4.195 5.129 0.009  9 0 "[    .    1    .    2]" 1 
        223 1  19 LEU MD1  1  83 ARG HA   . . 5.050 2.861 1.913 4.512     .  0 0 "[    .    1    .    2]" 1 
        224 1  19 LEU MD1  1  84 ARG H    . . 4.340 2.706 1.865 4.341 0.001  9 0 "[    .    1    .    2]" 1 
        225 1  19 LEU MD1  1  84 ARG QD   . . 4.360 3.041 1.955 4.360     .  9 0 "[    .    1    .    2]" 1 
        226 1  19 LEU MD2  1  83 ARG HA   . . 5.050 4.096 2.374 4.497     .  0 0 "[    .    1    .    2]" 1 
        227 1  19 LEU MD2  1  84 ARG H    . . 4.340 3.966 1.879 4.356 0.016  4 0 "[    .    1    .    2]" 1 
        228 1  19 LEU MD2  1  84 ARG QD   . . 4.360 3.297 1.972 4.357     .  0 0 "[    .    1    .    2]" 1 
        229 1  19 LEU HG   1 111 GLU QG   . . 5.330 4.229 2.376 5.308     .  0 0 "[    .    1    .    2]" 1 
        230 1  20 THR H    1  20 THR HB   . . 3.750 3.132 2.928 3.272     .  0 0 "[    .    1    .    2]" 1 
        231 1  20 THR H    1  20 THR MG   . . 4.360 4.034 3.956 4.055     .  0 0 "[    .    1    .    2]" 1 
        232 1  20 THR H    1  82 VAL H    . . 3.860 3.352 3.227 3.507     .  0 0 "[    .    1    .    2]" 1 
        233 1  20 THR H    1  82 VAL HB   . . 3.640 2.995 2.613 3.221     .  0 0 "[    .    1    .    2]" 1 
        234 1  20 THR H    1  82 VAL QG   . . 3.820 3.575 3.366 3.741     .  0 0 "[    .    1    .    2]" 1 
        235 1  20 THR H    1  83 ARG HA   . . 4.840 3.772 3.664 3.923     .  0 0 "[    .    1    .    2]" 1 
        236 1  20 THR HA   1  20 THR MG   . . 3.300 2.163 2.051 2.314     .  0 0 "[    .    1    .    2]" 1 
        237 1  20 THR HB   1  82 VAL H    . . 4.270 3.277 3.009 3.659     .  0 0 "[    .    1    .    2]" 1 
        238 1  20 THR HB   1  82 VAL HB   . . 3.730 2.018 1.981 2.226     .  0 0 "[    .    1    .    2]" 1 
        239 1  20 THR HB   1  82 VAL QG   . . 3.520 2.450 1.961 2.782     .  0 0 "[    .    1    .    2]" 1 
        240 1  20 THR MG   1  21 GLU H    . . 4.440 2.861 2.388 3.064     .  0 0 "[    .    1    .    2]" 1 
        241 1  20 THR MG   1  81 GLY HA2  . . 5.170 4.965 4.688 5.123     .  0 0 "[    .    1    .    2]" 1 
        242 1  20 THR MG   1  82 VAL H    . . 4.400 4.375 4.139 4.429 0.029 16 0 "[    .    1    .    2]" 1 
        243 1  21 GLU H    1  21 GLU QB   . . 3.900 2.323 2.137 2.628     .  0 0 "[    .    1    .    2]" 1 
        244 1  21 GLU HA   1  21 GLU QG   . . 3.460 2.704 2.182 3.460 0.000  2 0 "[    .    1    .    2]" 1 
        245 1  21 GLU HA   1  22 GLY H    . . 3.310 2.405 2.298 2.492     .  0 0 "[    .    1    .    2]" 1 
        246 1  21 GLU HA   1  81 GLY HA2  . . 4.360 4.097 3.733 4.308     .  0 0 "[    .    1    .    2]" 1 
        247 1  21 GLU QB   1  22 GLY H    . . 4.260 2.651 2.215 3.188     .  0 0 "[    .    1    .    2]" 1 
        248 1  21 GLU QG   1  22 GLY H    . . 4.290 3.115 1.925 4.073     .  0 0 "[    .    1    .    2]" 1 
        249 1  22 GLY H    1  23 SER H    . . 4.750 2.963 1.900 4.142     .  0 0 "[    .    1    .    2]" 1 
        250 1  22 GLY H    1  81 GLY HA2  . . 4.320 3.773 3.566 4.025     .  0 0 "[    .    1    .    2]" 1 
        251 1  22 GLY H    1  81 GLY HA3  . . 4.750 4.695 4.506 4.763 0.013  3 0 "[    .    1    .    2]" 1 
        252 1  22 GLY QA   1  24 GLY H    . . 4.600 4.063 3.679 4.617 0.017  9 0 "[    .    1    .    2]" 1 
        253 1  22 GLY QA   1  81 GLY H    . . 3.850 3.382 3.123 3.760     .  0 0 "[    .    1    .    2]" 1 
        254 1  23 SER H    1  23 SER QB   . . 3.590 2.760 2.178 3.449     .  0 0 "[    .    1    .    2]" 1 
        255 1  23 SER H    1  24 GLY H    . . 3.940 3.541 2.771 3.954 0.014 10 0 "[    .    1    .    2]" 1 
        256 1  24 GLY H    1  78 LYS HB2  . . 4.380 3.586 3.102 4.214     .  0 0 "[    .    1    .    2]" 1 
        257 1  24 GLY H    1  78 LYS QB   . . 3.850 2.976 2.592 3.431     .  0 0 "[    .    1    .    2]" 1 
        258 1  24 GLY H    1  78 LYS HB3  . . 4.380 3.214 2.713 3.931     .  0 0 "[    .    1    .    2]" 1 
        259 1  24 GLY H    1  78 LYS QD   . . 4.900 3.530 3.084 4.219     .  0 0 "[    .    1    .    2]" 1 
        260 1  24 GLY H    1  79 VAL H    . . 4.880 4.477 3.998 4.876     .  0 0 "[    .    1    .    2]" 1 
        261 1  24 GLY H    1  79 VAL HB   . . 4.540 4.328 4.003 4.551 0.011  9 0 "[    .    1    .    2]" 1 
        262 1  24 GLY H    1  79 VAL MG1  . . 5.500 5.198 4.988 5.391     .  0 0 "[    .    1    .    2]" 1 
        263 1  24 GLY QA   1  25 ALA H    . . 2.850 2.156 2.109 2.237     .  0 0 "[    .    1    .    2]" 1 
        264 1  24 GLY QA   1  25 ALA MB   . . 3.800 3.593 3.476 3.763     .  0 0 "[    .    1    .    2]" 1 
        265 1  24 GLY QA   1  78 LYS QB   . . 4.440 3.610 3.428 3.860     .  0 0 "[    .    1    .    2]" 1 
        266 1  24 GLY QA   1  79 VAL H    . . 4.270 3.419 3.179 3.648     .  0 0 "[    .    1    .    2]" 1 
        267 1  24 GLY QA   1  79 VAL HB   . . 3.260 2.041 1.968 2.334     .  0 0 "[    .    1    .    2]" 1 
        268 1  24 GLY QA   1  79 VAL MG2  . . 4.050 3.465 3.223 3.781     .  0 0 "[    .    1    .    2]" 1 
        269 1  24 GLY HA2  1  25 ALA H    . . 3.420 3.210 2.796 3.427 0.007 11 0 "[    .    1    .    2]" 1 
        270 1  24 GLY HA2  1  25 ALA MB   . . 4.350 4.093 3.880 4.282     .  0 0 "[    .    1    .    2]" 1 
        271 1  24 GLY HA2  1  79 VAL HB   . . 3.780 3.456 3.149 3.777     .  0 0 "[    .    1    .    2]" 1 
        272 1  24 GLY HA2  1  79 VAL MG1  . . 4.380 4.201 3.889 4.377     .  0 0 "[    .    1    .    2]" 1 
        273 1  24 GLY HA3  1  25 ALA H    . . 3.420 2.200 2.136 2.354     .  0 0 "[    .    1    .    2]" 1 
        274 1  24 GLY HA3  1  25 ALA MB   . . 4.350 3.986 3.829 4.228     .  0 0 "[    .    1    .    2]" 1 
        275 1  24 GLY HA3  1  79 VAL HB   . . 3.780 2.057 1.983 2.358     .  0 0 "[    .    1    .    2]" 1 
        276 1  24 GLY HA3  1  79 VAL MG1  . . 4.380 3.250 3.053 3.451     .  0 0 "[    .    1    .    2]" 1 
        277 1  25 ALA H    1  25 ALA MB   . . 2.820 2.544 2.169 2.777     .  0 0 "[    .    1    .    2]" 1 
        278 1  25 ALA H    1  78 LYS QB   . . 4.460 3.128 2.428 4.163     .  0 0 "[    .    1    .    2]" 1 
        279 1  25 ALA H    1  79 VAL H    . . 4.060 2.224 1.897 3.035     .  0 0 "[    .    1    .    2]" 1 
        280 1  25 ALA H    1  79 VAL HB   . . 3.320 2.037 1.931 2.290     .  0 0 "[    .    1    .    2]" 1 
        281 1  25 ALA H    1  79 VAL MG1  . . 4.210 3.707 3.541 3.959     .  0 0 "[    .    1    .    2]" 1 
        282 1  25 ALA H    1  79 VAL MG2  . . 3.770 2.352 1.939 2.928     .  0 0 "[    .    1    .    2]" 1 
        283 1  25 ALA HA   1  26 GLU H    . . 2.730 2.193 2.147 2.241     .  0 0 "[    .    1    .    2]" 1 
        284 1  25 ALA HA   1  26 GLU QB   . . 4.230 4.077 4.045 4.108     .  0 0 "[    .    1    .    2]" 1 
        285 1  25 ALA MB   1  26 GLU H    . . 3.170 2.978 2.777 3.163     .  0 0 "[    .    1    .    2]" 1 
        286 1  25 ALA MB   1  79 VAL H    . . 4.050 3.658 3.341 3.867     .  0 0 "[    .    1    .    2]" 1 
        287 1  25 ALA MB   1 117 VAL HB   . . 5.500 5.095 3.764 5.478     .  0 0 "[    .    1    .    2]" 1 
        288 1  25 ALA MB   1 117 VAL MG1  . . 4.330 3.122 2.620 3.686     .  0 0 "[    .    1    .    2]" 1 
        289 1  25 ALA MB   1 117 VAL QG   . . 3.680 2.836 1.853 3.171     .  0 0 "[    .    1    .    2]" 1 
        290 1  25 ALA MB   1 117 VAL MG2  . . 4.330 3.363 1.895 3.711     .  0 0 "[    .    1    .    2]" 1 
        291 1  26 GLU H    1  26 GLU QB   . . 2.930 2.254 2.195 2.283     .  0 0 "[    .    1    .    2]" 1 
        292 1  26 GLU H    1  26 GLU QG   . . 4.090 3.965 3.881 4.043     .  0 0 "[    .    1    .    2]" 1 
        293 1  26 GLU H    1 117 VAL QG   . . 5.440 5.327 4.199 5.468 0.028  8 0 "[    .    1    .    2]" 1 
        294 1  26 GLU HA   1  26 GLU QG   . . 3.420 2.435 2.273 2.539     .  0 0 "[    .    1    .    2]" 1 
        295 1  26 GLU HA   1  27 ALA H    . . 2.910 2.182 2.156 2.213     .  0 0 "[    .    1    .    2]" 1 
        296 1  26 GLU HA   1  78 LYS HA   . . 3.680 1.987 1.960 2.013     .  0 0 "[    .    1    .    2]" 1 
        297 1  26 GLU HA   1  78 LYS HG2  . . 4.530 2.229 1.994 2.598     .  0 0 "[    .    1    .    2]" 1 
        298 1  26 GLU HA   1  78 LYS HG3  . . 3.690 3.478 2.553 3.695 0.005 15 0 "[    .    1    .    2]" 1 
        299 1  26 GLU HA   1  79 VAL H    . . 4.280 3.715 3.560 3.916     .  0 0 "[    .    1    .    2]" 1 
        300 1  26 GLU QB   1  27 ALA H    . . 3.830 3.654 3.544 3.733     .  0 0 "[    .    1    .    2]" 1 
        301 1  26 GLU QB   1  78 LYS HG2  . . 3.940 2.167 1.996 2.370     .  0 0 "[    .    1    .    2]" 1 
        302 1  26 GLU QB   1  78 LYS HG3  . . 3.990 3.498 2.920 3.894     .  0 0 "[    .    1    .    2]" 1 
        303 1  26 GLU QG   1  27 ALA H    . . 3.510 2.495 2.199 2.699     .  0 0 "[    .    1    .    2]" 1 
        304 1  26 GLU QG   1  27 ALA MB   . . 3.780 3.547 3.383 3.713     .  0 0 "[    .    1    .    2]" 1 
        305 1  26 GLU QG   1  76 GLY H    . . 4.590 4.086 3.688 4.367     .  0 0 "[    .    1    .    2]" 1 
        306 1  26 GLU QG   1  76 GLY HA2  . . 4.450 2.746 2.498 3.015     .  0 0 "[    .    1    .    2]" 1 
        307 1  26 GLU QG   1  76 GLY QA   . . 3.580 2.702 2.466 2.958     .  0 0 "[    .    1    .    2]" 1 
        308 1  26 GLU QG   1  76 GLY HA3  . . 4.450 4.038 3.765 4.280     .  0 0 "[    .    1    .    2]" 1 
        309 1  26 GLU QG   1  78 LYS H    . . 5.310 4.889 4.384 5.246     .  0 0 "[    .    1    .    2]" 1 
        310 1  26 GLU QG   1  78 LYS QE   . . 4.160 3.841 2.876 4.147     .  0 0 "[    .    1    .    2]" 1 
        311 1  26 GLU QG   1  78 LYS HG2  . . 3.990 3.016 2.210 3.531     .  0 0 "[    .    1    .    2]" 1 
        312 1  26 GLU QG   1  78 LYS HG3  . . 4.620 3.663 2.270 4.448     .  0 0 "[    .    1    .    2]" 1 
        313 1  27 ALA H    1  27 ALA MB   . . 3.060 2.138 2.025 2.237     .  0 0 "[    .    1    .    2]" 1 
        314 1  27 ALA H    1  28 ARG H    . . 4.650 4.636 4.607 4.642     .  0 0 "[    .    1    .    2]" 1 
        315 1  27 ALA H    1  76 GLY H    . . 5.500 4.843 4.111 5.246     .  0 0 "[    .    1    .    2]" 1 
        316 1  27 ALA H    1  77 MET H    . . 5.010 4.642 4.257 4.843     .  0 0 "[    .    1    .    2]" 1 
        317 1  27 ALA H    1  78 LYS HA   . . 3.840 3.060 2.728 3.300     .  0 0 "[    .    1    .    2]" 1 
        318 1  27 ALA H    1  78 LYS HG2  . . 4.560 4.192 3.707 4.566 0.006  7 0 "[    .    1    .    2]" 1 
        319 1  27 ALA H    1  79 VAL H    . . 5.500 4.693 4.466 4.947     .  0 0 "[    .    1    .    2]" 1 
        320 1  27 ALA H    1 114 LEU QD   . . 3.800 3.398 2.977 3.803 0.003 17 0 "[    .    1    .    2]" 1 
        321 1  27 ALA HA   1  28 ARG H    . . 2.790 2.298 2.199 2.347     .  0 0 "[    .    1    .    2]" 1 
        322 1  27 ALA HA   1  31 GLN HE21 . . 5.500 4.782 4.218 5.497     .  0 0 "[    .    1    .    2]" 1 
        323 1  27 ALA HA   1  31 GLN HE22 . . 4.670 4.058 3.522 4.687 0.017 14 0 "[    .    1    .    2]" 1 
        324 1  27 ALA HA   1  61 LEU QD   . . 4.070 3.509 3.276 3.767     .  0 0 "[    .    1    .    2]" 1 
        325 1  27 ALA HA   1 117 VAL QG   . . 3.570 3.187 2.489 3.581 0.011  2 0 "[    .    1    .    2]" 1 
        326 1  27 ALA MB   1  28 ARG H    . . 3.510 2.683 2.512 2.902     .  0 0 "[    .    1    .    2]" 1 
        327 1  27 ALA MB   1  33 VAL MG1  . . 3.110 2.765 2.221 3.002     .  0 0 "[    .    1    .    2]" 1 
        328 1  27 ALA MB   1  33 VAL MG2  . . 3.450 2.611 2.279 2.927     .  0 0 "[    .    1    .    2]" 1 
        329 1  27 ALA MB   1  61 LEU HB3  . . 4.270 3.894 3.489 4.173     .  0 0 "[    .    1    .    2]" 1 
        330 1  27 ALA MB   1  61 LEU QD   . . 2.650 1.814 1.732 1.979     .  0 0 "[    .    1    .    2]" 1 
        331 1  27 ALA MB   1  74 VAL HA   . . 5.270 4.035 3.754 4.275     .  0 0 "[    .    1    .    2]" 1 
        332 1  27 ALA MB   1  74 VAL QG   . . 3.110 2.735 2.336 2.978     .  0 0 "[    .    1    .    2]" 1 
        333 1  27 ALA MB   1  75 GLN HA   . . 3.680 2.906 2.438 3.449     .  0 0 "[    .    1    .    2]" 1 
        334 1  27 ALA MB   1  76 GLY H    . . 4.300 3.865 3.087 4.321 0.021  7 0 "[    .    1    .    2]" 1 
        335 1  27 ALA MB   1  77 MET H    . . 4.360 4.166 3.889 4.352     .  0 0 "[    .    1    .    2]" 1 
        336 1  28 ARG H    1  28 ARG HB2  . . 3.930 2.649 2.438 2.783     .  0 0 "[    .    1    .    2]" 1 
        337 1  28 ARG H    1  28 ARG QB   . . 3.180 2.573 2.380 2.721     .  0 0 "[    .    1    .    2]" 1 
        338 1  28 ARG H    1  28 ARG HB3  . . 3.930 3.541 3.169 3.844     .  0 0 "[    .    1    .    2]" 1 
        339 1  28 ARG H    1  28 ARG QD   . . 4.490 4.264 3.835 4.547 0.057 18 0 "[    .    1    .    2]" 1 
        340 1  28 ARG H    1  31 GLN HB2  . . 5.460 4.900 4.772 5.070     .  0 0 "[    .    1    .    2]" 1 
        341 1  28 ARG H    1  31 GLN HE21 . . 5.250 4.451 4.279 4.836     .  0 0 "[    .    1    .    2]" 1 
        342 1  28 ARG H    1  31 GLN HE22 . . 4.670 4.164 3.880 4.500     .  0 0 "[    .    1    .    2]" 1 
        343 1  28 ARG H    1  31 GLN HG2  . . 4.260 2.393 2.284 2.582     .  0 0 "[    .    1    .    2]" 1 
        344 1  28 ARG H    1  31 GLN QG   . . 3.470 2.340 2.258 2.550     .  0 0 "[    .    1    .    2]" 1 
        345 1  28 ARG H    1  31 GLN HG3  . . 4.260 3.506 2.697 3.970     .  0 0 "[    .    1    .    2]" 1 
        346 1  28 ARG H    1  33 VAL MG1  . . 3.730 3.719 3.186 3.788 0.058 13 0 "[    .    1    .    2]" 1 
        347 1  28 ARG H    1  61 LEU HB3  . . 5.500 3.970 3.673 4.317     .  0 0 "[    .    1    .    2]" 1 
        348 1  28 ARG H    1  61 LEU QD   . . 3.700 2.473 2.225 2.739     .  0 0 "[    .    1    .    2]" 1 
        349 1  28 ARG HA   1  28 ARG QD   . . 4.260 3.369 2.130 4.281 0.021  8 0 "[    .    1    .    2]" 1 
        350 1  28 ARG HA   1  29 ALA H    . . 2.780 2.202 2.197 2.207     .  0 0 "[    .    1    .    2]" 1 
        351 1  28 ARG HA   1  29 ALA MB   . . 4.020 3.993 3.947 4.041 0.021  4 0 "[    .    1    .    2]" 1 
        352 1  28 ARG HA   1  61 LEU QD   . . 3.840 2.589 2.328 2.858     .  0 0 "[    .    1    .    2]" 1 
        353 1  28 ARG HA   1  75 GLN HA   . . 5.180 4.398 3.951 5.044     .  0 0 "[    .    1    .    2]" 1 
        354 1  28 ARG QB   1  28 ARG QD   . . 2.780 2.203 2.051 2.491     .  0 0 "[    .    1    .    2]" 1 
        355 1  28 ARG QB   1  29 ALA H    . . 3.300 3.124 2.928 3.361 0.061 13 0 "[    .    1    .    2]" 1 
        356 1  28 ARG QB   1  31 GLN HE21 . . 5.010 4.645 3.126 5.027 0.017  1 0 "[    .    1    .    2]" 1 
        357 1  28 ARG QB   1  31 GLN HE22 . . 4.440 4.218 3.462 4.500 0.060 11 0 "[    .    1    .    2]" 1 
        358 1  28 ARG HB2  1  28 ARG QD   . . 3.450 2.534 2.119 3.433     .  0 0 "[    .    1    .    2]" 1 
        359 1  28 ARG HB3  1  28 ARG QD   . . 3.450 2.719 2.147 3.452 0.002  5 0 "[    .    1    .    2]" 1 
        360 1  29 ALA H    1  29 ALA MB   . . 2.800 2.116 2.026 2.225     .  0 0 "[    .    1    .    2]" 1 
        361 1  29 ALA H    1  30 GLY H    . . 4.640 4.490 4.443 4.523     .  0 0 "[    .    1    .    2]" 1 
        362 1  29 ALA H    1  61 LEU HB3  . . 4.780 4.351 3.897 4.799 0.019 16 0 "[    .    1    .    2]" 1 
        363 1  29 ALA H    1  61 LEU QD   . . 4.240 2.759 2.571 2.944     .  0 0 "[    .    1    .    2]" 1 
        364 1  29 ALA HA   1  30 GLY H    . . 2.970 2.146 2.145 2.149     .  0 0 "[    .    1    .    2]" 1 
        365 1  29 ALA HA   1  30 GLY QA   . . 4.510 3.913 3.905 3.920     .  0 0 "[    .    1    .    2]" 1 
        366 1  29 ALA HA   1  31 GLN H    . . 3.870 3.572 3.527 3.701     .  0 0 "[    .    1    .    2]" 1 
        367 1  29 ALA HA   1  61 LEU HA   . . 4.930 4.330 4.071 4.625     .  0 0 "[    .    1    .    2]" 1 
        368 1  29 ALA HA   1  61 LEU HB2  . . 4.410 3.953 3.661 4.339     .  0 0 "[    .    1    .    2]" 1 
        369 1  29 ALA HA   1  61 LEU HB3  . . 3.930 2.455 2.079 2.986     .  0 0 "[    .    1    .    2]" 1 
        370 1  29 ALA HA   1  61 LEU MD1  . . 4.560 3.661 3.582 3.747     .  0 0 "[    .    1    .    2]" 1 
        371 1  29 ALA HA   1  61 LEU QD   . . 3.780 2.820 2.618 2.953     .  0 0 "[    .    1    .    2]" 1 
        372 1  29 ALA HA   1  61 LEU MD2  . . 4.560 2.938 2.675 3.145     .  0 0 "[    .    1    .    2]" 1 
        373 1  29 ALA HA   1  61 LEU HG   . . 3.600 1.990 1.952 2.040     .  0 0 "[    .    1    .    2]" 1 
        374 1  29 ALA MB   1  30 GLY H    . . 3.500 3.252 3.189 3.330     .  0 0 "[    .    1    .    2]" 1 
        375 1  29 ALA MB   1  31 GLN H    . . 4.910 4.574 4.561 4.616     .  0 0 "[    .    1    .    2]" 1 
        376 1  29 ALA MB   1  61 LEU QD   . . 3.980 3.148 2.934 3.375     .  0 0 "[    .    1    .    2]" 1 
        377 1  29 ALA MB   1  62 GLY HA2  . . 4.210 3.634 3.029 4.235 0.025 16 0 "[    .    1    .    2]" 1 
        378 1  29 ALA MB   1  62 GLY QA   . . 3.680 2.404 1.961 3.052     .  0 0 "[    .    1    .    2]" 1 
        379 1  29 ALA MB   1  62 GLY HA3  . . 4.210 2.449 1.973 3.197     .  0 0 "[    .    1    .    2]" 1 
        380 1  29 ALA MB   1  75 GLN HE21 . . 5.160 4.740 3.931 5.168 0.008 20 0 "[    .    1    .    2]" 1 
        381 1  29 ALA MB   1  75 GLN QE   . . 4.470 4.288 3.624 4.519 0.049 14 0 "[    .    1    .    2]" 1 
        382 1  29 ALA MB   1  75 GLN HE22 . . 5.160 4.931 4.246 5.209 0.049 16 0 "[    .    1    .    2]" 1 
        383 1  30 GLY H    1  31 GLN H    . . 3.470 2.422 2.327 2.640     .  0 0 "[    .    1    .    2]" 1 
        384 1  30 GLY H    1  60 VAL QG   . . 4.130 2.838 2.300 3.313     .  0 0 "[    .    1    .    2]" 1 
        385 1  30 GLY H    1  61 LEU HB2  . . 4.740 4.343 4.051 4.765 0.025 11 0 "[    .    1    .    2]" 1 
        386 1  30 GLY H    1  61 LEU HB3  . . 4.160 2.696 2.400 3.133     .  0 0 "[    .    1    .    2]" 1 
        387 1  30 GLY H    1  61 LEU MD1  . . 5.200 4.729 4.604 4.844     .  0 0 "[    .    1    .    2]" 1 
        388 1  30 GLY H    1  61 LEU QD   . . 4.490 3.937 3.697 4.143     .  0 0 "[    .    1    .    2]" 1 
        389 1  30 GLY H    1  61 LEU MD2  . . 5.200 4.216 3.880 4.510     .  0 0 "[    .    1    .    2]" 1 
        390 1  30 GLY H    1  61 LEU HG   . . 4.150 3.674 3.407 3.887     .  0 0 "[    .    1    .    2]" 1 
        391 1  30 GLY H    1  62 GLY QA   . . 4.340 3.757 3.440 4.142     .  0 0 "[    .    1    .    2]" 1 
        392 1  30 GLY QA   1  60 VAL QG   . . 3.460 2.656 2.344 2.989     .  0 0 "[    .    1    .    2]" 1 
        393 1  31 GLN H    1  31 GLN HB2  . . 4.010 3.685 3.620 3.706     .  0 0 "[    .    1    .    2]" 1 
        394 1  31 GLN H    1  31 GLN HB3  . . 3.280 2.580 2.383 2.856     .  0 0 "[    .    1    .    2]" 1 
        395 1  31 GLN H    1  31 GLN QG   . . 3.580 2.511 2.248 2.805     .  0 0 "[    .    1    .    2]" 1 
        396 1  31 GLN H    1  60 VAL QG   . . 3.990 3.404 2.858 3.904     .  0 0 "[    .    1    .    2]" 1 
        397 1  31 GLN H    1  61 LEU HB3  . . 3.370 3.065 2.779 3.380 0.010 11 0 "[    .    1    .    2]" 1 
        398 1  31 GLN H    1  61 LEU HG   . . 5.480 4.892 4.542 5.084     .  0 0 "[    .    1    .    2]" 1 
        399 1  31 GLN HA   1  31 GLN HE21 . . 5.160 4.725 4.177 5.032     .  0 0 "[    .    1    .    2]" 1 
        400 1  31 GLN HA   1  32 THR H    . . 2.950 2.245 2.203 2.295     .  0 0 "[    .    1    .    2]" 1 
        401 1  31 GLN HA   1  60 VAL QG   . . 4.190 3.462 3.027 3.749     .  0 0 "[    .    1    .    2]" 1 
        402 1  31 GLN HB2  1  31 GLN HE21 . . 4.640 2.626 1.935 3.024     .  0 0 "[    .    1    .    2]" 1 
        403 1  31 GLN HB2  1  32 THR H    . . 3.530 2.984 2.814 3.200     .  0 0 "[    .    1    .    2]" 1 
        404 1  31 GLN HB3  1  31 GLN HE21 . . 3.950 3.491 2.400 3.976 0.026  6 0 "[    .    1    .    2]" 1 
        405 1  31 GLN HB3  1  31 GLN HE22 . . 4.430 4.215 3.838 4.410     .  0 0 "[    .    1    .    2]" 1 
        406 1  31 GLN HB3  1  32 THR H    . . 4.610 4.176 4.002 4.301     .  0 0 "[    .    1    .    2]" 1 
        407 1  31 GLN HE21 1  33 VAL MG1  . . 4.360 2.969 2.221 4.415 0.055 19 0 "[    .    1    .    2]" 1 
        408 1  31 GLN HE21 1 117 VAL HB   . . 4.280 2.846 2.026 4.340 0.060 14 0 "[    .    1    .    2]" 1 
        409 1  31 GLN HE21 1 117 VAL QG   . . 4.950 3.072 2.314 4.263     .  0 0 "[    .    1    .    2]" 1 
        410 1  31 GLN HE22 1 117 VAL HB   . . 4.410 2.999 2.520 4.423 0.013 14 0 "[    .    1    .    2]" 1 
        411 1  31 GLN HE22 1 117 VAL MG1  . . 4.320 2.968 2.126 4.324 0.004 17 0 "[    .    1    .    2]" 1 
        412 1  31 GLN HE22 1 117 VAL MG2  . . 4.320 3.425 3.008 4.127     .  0 0 "[    .    1    .    2]" 1 
        413 1  31 GLN QG   1  32 THR H    . . 4.840 3.366 3.107 3.979     .  0 0 "[    .    1    .    2]" 1 
        414 1  31 GLN QG   1  33 VAL MG1  . . 3.830 2.136 1.926 2.902     .  0 0 "[    .    1    .    2]" 1 
        415 1  32 THR H    1  32 THR HB   . . 3.230 2.691 2.502 2.873     .  0 0 "[    .    1    .    2]" 1 
        416 1  32 THR H    1  32 THR MG   . . 4.070 3.804 3.757 3.837     .  0 0 "[    .    1    .    2]" 1 
        417 1  32 THR H    1  33 VAL MG1  . . 4.590 4.006 3.888 4.176     .  0 0 "[    .    1    .    2]" 1 
        418 1  32 THR H    1  60 VAL QG   . . 4.910 3.620 3.297 3.936     .  0 0 "[    .    1    .    2]" 1 
        419 1  32 THR HA   1  32 THR MG   . . 3.330 2.310 2.238 2.401     .  0 0 "[    .    1    .    2]" 1 
        420 1  32 THR HA   1  33 VAL H    . . 3.040 2.200 2.169 2.253     .  0 0 "[    .    1    .    2]" 1 
        421 1  32 THR HA   1  33 VAL MG2  . . 4.290 3.841 3.653 3.963     .  0 0 "[    .    1    .    2]" 1 
        422 1  32 THR HA   1  60 VAL HA   . . 3.370 1.971 1.952 1.986     .  0 0 "[    .    1    .    2]" 1 
        423 1  32 THR HA   1  60 VAL QG   . . 4.950 3.007 2.582 3.367     .  0 0 "[    .    1    .    2]" 1 
        424 1  32 THR HA   1  61 LEU H    . . 3.920 3.143 2.630 3.531     .  0 0 "[    .    1    .    2]" 1 
        425 1  32 THR MG   1  33 VAL H    . . 3.500 2.198 2.021 2.460     .  0 0 "[    .    1    .    2]" 1 
        426 1  32 THR MG   1  33 VAL MG2  . . 4.110 4.023 3.861 4.118 0.008  5 0 "[    .    1    .    2]" 1 
        427 1  32 THR MG   1  58 ALA HA   . . 4.320 3.987 3.688 4.288     .  0 0 "[    .    1    .    2]" 1 
        428 1  32 THR MG   1  58 ALA MB   . . 4.580 3.105 2.921 3.320     .  0 0 "[    .    1    .    2]" 1 
        429 1  32 THR MG   1  59 PHE H    . . 3.760 2.835 2.646 3.076     .  0 0 "[    .    1    .    2]" 1 
        430 1  33 VAL H    1  33 VAL MG1  . . 3.700 2.993 2.851 3.077     .  0 0 "[    .    1    .    2]" 1 
        431 1  33 VAL H    1  33 VAL MG2  . . 3.250 2.354 2.259 2.455     .  0 0 "[    .    1    .    2]" 1 
        432 1  33 VAL H    1  58 ALA HA   . . 4.470 4.299 4.127 4.479 0.009 18 0 "[    .    1    .    2]" 1 
        433 1  33 VAL H    1  58 ALA MB   . . 4.510 4.391 4.106 4.543 0.033 15 0 "[    .    1    .    2]" 1 
        434 1  33 VAL H    1  60 VAL H    . . 5.170 5.011 4.918 5.103     .  0 0 "[    .    1    .    2]" 1 
        435 1  33 VAL H    1  60 VAL HA   . . 4.030 3.516 3.349 3.665     .  0 0 "[    .    1    .    2]" 1 
        436 1  33 VAL H    1  61 LEU H    . . 4.770 4.248 3.821 4.493     .  0 0 "[    .    1    .    2]" 1 
        437 1  33 VAL HA   1  33 VAL MG1  . . 3.340 2.374 2.288 2.457     .  0 0 "[    .    1    .    2]" 1 
        438 1  33 VAL HA   1  34 SER H    . . 3.000 2.362 2.294 2.419     .  0 0 "[    .    1    .    2]" 1 
        439 1  33 VAL HA   1  58 ALA MB   . . 5.080 4.551 4.329 4.831     .  0 0 "[    .    1    .    2]" 1 
        440 1  33 VAL HA   1 117 VAL HA   . . 3.360 2.398 2.118 2.853     .  0 0 "[    .    1    .    2]" 1 
        441 1  33 VAL HA   1 117 VAL HB   . . 4.930 4.275 3.918 4.892     .  0 0 "[    .    1    .    2]" 1 
        442 1  33 VAL HA   1 117 VAL QG   . . 4.300 3.867 3.621 4.049     .  0 0 "[    .    1    .    2]" 1 
        443 1  33 VAL HB   1  34 SER H    . . 3.300 2.508 2.386 2.669     .  0 0 "[    .    1    .    2]" 1 
        444 1  33 VAL HB   1 116 ASP H    . . 4.880 4.352 4.192 4.755     .  0 0 "[    .    1    .    2]" 1 
        445 1  33 VAL HB   1 117 VAL HA   . . 3.940 2.293 2.062 2.688     .  0 0 "[    .    1    .    2]" 1 
        446 1  33 VAL MG1  1  34 SER H    . . 3.860 3.802 3.725 3.872 0.012  5 0 "[    .    1    .    2]" 1 
        447 1  33 VAL MG1  1 117 VAL HA   . . 3.060 1.984 1.933 2.151     .  0 0 "[    .    1    .    2]" 1 
        448 1  33 VAL MG2  1  34 SER H    . . 4.250 3.374 3.241 3.539     .  0 0 "[    .    1    .    2]" 1 
        449 1  33 VAL MG2  1  58 ALA HA   . . 4.910 4.284 4.037 4.476     .  0 0 "[    .    1    .    2]" 1 
        450 1  33 VAL MG2  1  58 ALA MB   . . 5.300 4.887 4.550 5.095     .  0 0 "[    .    1    .    2]" 1 
        451 1  33 VAL MG2  1  59 PHE H    . . 3.780 3.552 3.380 3.758     .  0 0 "[    .    1    .    2]" 1 
        452 1  33 VAL MG2  1  59 PHE QD   . . 4.100 4.049 3.859 4.117 0.017  5 0 "[    .    1    .    2]" 1 
        453 1  33 VAL MG2  1  59 PHE QE   . . 4.080 3.722 3.364 3.878     .  0 0 "[    .    1    .    2]" 1 
        454 1  33 VAL MG2  1  59 PHE HZ   . . 4.630 4.571 4.324 4.683 0.053 16 0 "[    .    1    .    2]" 1 
        455 1  33 VAL MG2  1  61 LEU H    . . 4.500 4.098 3.314 4.325     .  0 0 "[    .    1    .    2]" 1 
        456 1  33 VAL MG2  1  61 LEU HA   . . 4.870 4.629 3.818 4.903 0.033  4 0 "[    .    1    .    2]" 1 
        457 1  33 VAL MG2  1  61 LEU HB2  . . 3.990 3.329 2.689 3.702     .  0 0 "[    .    1    .    2]" 1 
        458 1  33 VAL MG2  1  61 LEU HB3  . . 4.960 4.522 4.040 4.756     .  0 0 "[    .    1    .    2]" 1 
        459 1  33 VAL MG2  1  61 LEU QD   . . 4.010 3.567 3.061 4.018 0.008  7 0 "[    .    1    .    2]" 1 
        460 1  33 VAL MG2  1  74 VAL QG   . . 3.190 2.875 2.336 3.188     .  0 0 "[    .    1    .    2]" 1 
        461 1  33 VAL MG2  1 114 LEU QD   . . 3.480 2.633 2.176 3.042     .  0 0 "[    .    1    .    2]" 1 
        462 1  33 VAL MG2  1 117 VAL QG   . . 4.020 3.555 3.376 3.883     .  0 0 "[    .    1    .    2]" 1 
        463 1  34 SER H    1  34 SER HB2  . . 3.760 2.703 2.269 3.718     .  0 0 "[    .    1    .    2]" 1 
        464 1  34 SER H    1  34 SER HB3  . . 3.760 3.236 2.520 3.628     .  0 0 "[    .    1    .    2]" 1 
        465 1  34 SER H    1 114 LEU QD   . . 3.630 3.298 2.992 3.479     .  0 0 "[    .    1    .    2]" 1 
        466 1  34 SER H    1 117 VAL HA   . . 4.030 3.160 2.807 3.476     .  0 0 "[    .    1    .    2]" 1 
        467 1  34 SER HA   1  35 VAL H    . . 3.080 2.143 2.138 2.151     .  0 0 "[    .    1    .    2]" 1 
        468 1  34 SER HA   1  35 VAL MG1  . . 4.340 3.565 3.464 3.690     .  0 0 "[    .    1    .    2]" 1 
        469 1  34 SER HA   1  35 VAL MG2  . . 4.920 4.066 3.964 4.214     .  0 0 "[    .    1    .    2]" 1 
        470 1  34 SER HA   1  57 PHE H    . . 5.100 4.759 3.984 5.088     .  0 0 "[    .    1    .    2]" 1 
        471 1  34 SER HA   1  58 ALA HA   . . 3.310 1.996 1.975 2.051     .  0 0 "[    .    1    .    2]" 1 
        472 1  34 SER HA   1  58 ALA MB   . . 3.600 2.840 2.178 3.176     .  0 0 "[    .    1    .    2]" 1 
        473 1  34 SER HA   1  59 PHE H    . . 4.130 3.595 3.520 3.677     .  0 0 "[    .    1    .    2]" 1 
        474 1  34 SER HA   1 115 LEU QD   . . 4.890 4.454 3.843 4.919 0.029 12 0 "[    .    1    .    2]" 1 
        475 1  34 SER QB   1  58 ALA HA   . . 4.670 3.692 3.043 4.130     .  0 0 "[    .    1    .    2]" 1 
        476 1  34 SER QB   1  58 ALA MB   . . 4.100 2.930 2.096 3.457     .  0 0 "[    .    1    .    2]" 1 
        477 1  34 SER QB   1 115 LEU QB   . . 3.940 2.869 2.513 3.788     .  0 0 "[    .    1    .    2]" 1 
        478 1  34 SER QB   1 115 LEU QD   . . 4.570 2.974 2.396 3.892     .  0 0 "[    .    1    .    2]" 1 
        479 1  34 SER QB   1 116 ASP H    . . 3.900 3.429 3.118 3.945 0.045  4 0 "[    .    1    .    2]" 1 
        480 1  34 SER QB   1 116 ASP QB   . . 3.850 3.568 3.066 3.861 0.011 17 0 "[    .    1    .    2]" 1 
        481 1  34 SER HB2  1  58 ALA MB   . . 4.670 3.341 2.350 3.867     .  0 0 "[    .    1    .    2]" 1 
        482 1  34 SER HB2  1 115 LEU QB   . . 4.630 3.751 2.723 4.540     .  0 0 "[    .    1    .    2]" 1 
        483 1  34 SER HB2  1 116 ASP QB   . . 4.700 3.975 3.124 4.708 0.008  4 0 "[    .    1    .    2]" 1 
        484 1  34 SER HB3  1  58 ALA MB   . . 4.670 3.561 2.112 4.182     .  0 0 "[    .    1    .    2]" 1 
        485 1  34 SER HB3  1 115 LEU QB   . . 4.630 3.246 2.572 4.522     .  0 0 "[    .    1    .    2]" 1 
        486 1  34 SER HB3  1 116 ASP QB   . . 4.700 4.268 3.427 4.727 0.027 19 0 "[    .    1    .    2]" 1 
        487 1  35 VAL H    1  35 VAL MG1  . . 3.990 2.823 2.700 2.883     .  0 0 "[    .    1    .    2]" 1 
        488 1  35 VAL H    1  35 VAL MG2  . . 3.410 2.384 2.251 2.497     .  0 0 "[    .    1    .    2]" 1 
        489 1  35 VAL H    1  57 PHE H    . . 4.120 3.453 2.833 3.774     .  0 0 "[    .    1    .    2]" 1 
        490 1  35 VAL H    1  57 PHE QB   . . 4.390 3.341 2.981 3.825     .  0 0 "[    .    1    .    2]" 1 
        491 1  35 VAL H    1  58 ALA HA   . . 4.250 3.276 2.810 3.578     .  0 0 "[    .    1    .    2]" 1 
        492 1  35 VAL H    1  58 ALA MB   . . 4.640 4.297 3.775 4.658 0.018  9 0 "[    .    1    .    2]" 1 
        493 1  35 VAL H    1 115 LEU MD1  . . 5.500 3.932 3.202 4.690     .  0 0 "[    .    1    .    2]" 1 
        494 1  35 VAL H    1 115 LEU QD   . . 4.370 3.817 3.181 4.405 0.035  3 0 "[    .    1    .    2]" 1 
        495 1  35 VAL H    1 115 LEU MD2  . . 5.500 5.486 5.318 5.549 0.049 14 0 "[    .    1    .    2]" 1 
        496 1  35 VAL HA   1  36 HIS H    . . 3.170 2.391 2.309 2.538     .  0 0 "[    .    1    .    2]" 1 
        497 1  35 VAL HA   1 115 LEU H    . . 3.680 2.503 2.149 2.792     .  0 0 "[    .    1    .    2]" 1 
        498 1  35 VAL HA   1 115 LEU QB   . . 4.280 3.701 2.906 4.312 0.032  3 0 "[    .    1    .    2]" 1 
        499 1  35 VAL HA   1 115 LEU MD1  . . 4.500 2.677 1.868 3.785     .  0 0 "[    .    1    .    2]" 1 
        500 1  35 VAL HA   1 115 LEU QD   . . 3.320 2.420 1.866 3.172     .  0 0 "[    .    1    .    2]" 1 
        501 1  35 VAL HA   1 115 LEU MD2  . . 4.500 3.828 3.111 4.519 0.019  2 0 "[    .    1    .    2]" 1 
        502 1  35 VAL HA   1 115 LEU HG   . . 4.130 3.110 1.969 4.135 0.005  6 0 "[    .    1    .    2]" 1 
        503 1  35 VAL HA   1 116 ASP H    . . 4.910 4.297 3.956 4.558     .  0 0 "[    .    1    .    2]" 1 
        504 1  35 VAL HB   1  36 HIS H    . . 3.380 2.500 2.197 2.670     .  0 0 "[    .    1    .    2]" 1 
        505 1  35 VAL HB   1 112 VAL MG1  . . 3.550 2.900 2.611 3.287     .  0 0 "[    .    1    .    2]" 1 
        506 1  35 VAL HB   1 113 GLU H    . . 4.410 3.289 3.100 3.474     .  0 0 "[    .    1    .    2]" 1 
        507 1  35 VAL HB   1 115 LEU H    . . 5.010 4.026 3.488 4.562     .  0 0 "[    .    1    .    2]" 1 
        508 1  35 VAL MG1  1 114 LEU HA   . . 4.320 2.130 1.957 2.453     .  0 0 "[    .    1    .    2]" 1 
        509 1  35 VAL MG2  1  36 HIS H    . . 4.200 3.115 2.909 3.350     .  0 0 "[    .    1    .    2]" 1 
        510 1  35 VAL MG2  1  37 TYR QD   . . 4.540 3.855 3.637 4.108     .  0 0 "[    .    1    .    2]" 1 
        511 1  35 VAL MG2  1  57 PHE H    . . 4.080 4.009 3.878 4.102 0.022 10 0 "[    .    1    .    2]" 1 
        512 1  35 VAL MG2  1  57 PHE HB2  . . 4.420 4.124 3.843 4.426 0.006 16 0 "[    .    1    .    2]" 1 
        513 1  35 VAL MG2  1  57 PHE QB   . . 3.850 2.731 2.456 2.983     .  0 0 "[    .    1    .    2]" 1 
        514 1  35 VAL MG2  1  57 PHE HB3  . . 4.420 2.772 2.484 3.032     .  0 0 "[    .    1    .    2]" 1 
        515 1  35 VAL MG2  1  57 PHE QD   . . 3.600 3.325 2.829 3.608 0.008 16 0 "[    .    1    .    2]" 1 
        516 1  35 VAL MG2  1  59 PHE QD   . . 4.390 3.666 3.222 3.886     .  0 0 "[    .    1    .    2]" 1 
        517 1  35 VAL MG2  1  59 PHE QE   . . 4.260 2.412 1.941 2.810     .  0 0 "[    .    1    .    2]" 1 
        518 1  35 VAL MG2  1  59 PHE HZ   . . 4.460 3.891 3.374 4.475 0.015 11 0 "[    .    1    .    2]" 1 
        519 1  36 HIS H    1  36 HIS QB   . . 3.590 2.317 2.288 2.422     .  0 0 "[    .    1    .    2]" 1 
        520 1  36 HIS H    1 112 VAL HA   . . 4.930 4.489 4.205 4.863     .  0 0 "[    .    1    .    2]" 1 
        521 1  36 HIS H    1 112 VAL MG1  . . 4.390 4.030 3.715 4.402 0.012 14 0 "[    .    1    .    2]" 1 
        522 1  36 HIS H    1 113 GLU H    . . 3.920 2.739 2.436 3.082     .  0 0 "[    .    1    .    2]" 1 
        523 1  36 HIS H    1 113 GLU HB2  . . 4.760 4.304 3.031 4.791 0.031  2 0 "[    .    1    .    2]" 1 
        524 1  36 HIS H    1 113 GLU HB3  . . 4.760 4.218 2.883 4.899 0.139  6 0 "[    .    1    .    2]" 1 
        525 1  36 HIS H    1 113 GLU QG   . . 4.840 2.978 2.183 4.122     .  0 0 "[    .    1    .    2]" 1 
        526 1  36 HIS H    1 114 LEU HA   . . 4.880 3.804 3.546 4.026     .  0 0 "[    .    1    .    2]" 1 
        527 1  36 HIS H    1 115 LEU H    . . 4.520 4.366 3.986 4.521 0.001 17 0 "[    .    1    .    2]" 1 
        528 1  36 HIS H    1 115 LEU MD1  . . 4.800 3.194 2.151 4.760     .  0 0 "[    .    1    .    2]" 1 
        529 1  36 HIS H    1 115 LEU QD   . . 3.620 2.740 2.148 3.447     .  0 0 "[    .    1    .    2]" 1 
        530 1  36 HIS H    1 115 LEU MD2  . . 4.800 4.036 3.110 4.850 0.050  9 0 "[    .    1    .    2]" 1 
        531 1  36 HIS H    1 115 LEU HG   . . 4.490 3.989 3.157 4.522 0.032 14 0 "[    .    1    .    2]" 1 
        532 1  36 HIS HA   1  37 TYR H    . . 3.430 2.169 2.166 2.190     .  0 0 "[    .    1    .    2]" 1 
        533 1  36 HIS HA   1  56 PRO HA   . . 5.020 3.632 3.167 4.233     .  0 0 "[    .    1    .    2]" 1 
        534 1  36 HIS HA   1 113 GLU H    . . 4.930 4.732 4.528 4.935 0.005 16 0 "[    .    1    .    2]" 1 
        535 1  36 HIS QB   1  37 TYR H    . . 4.130 3.242 3.184 3.350     .  0 0 "[    .    1    .    2]" 1 
        536 1  36 HIS QB   1 113 GLU H    . . 4.690 3.551 3.182 3.831     .  0 0 "[    .    1    .    2]" 1 
        537 1  36 HIS QB   1 115 LEU QD   . . 4.040 2.605 2.141 3.114     .  0 0 "[    .    1    .    2]" 1 
        538 1  36 HIS HD2  1  56 PRO HA   . . 4.310 3.847 3.351 4.300     .  0 0 "[    .    1    .    2]" 1 
        539 1  36 HIS HD2  1 115 LEU MD1  . . 3.490 2.257 1.897 2.876     .  0 0 "[    .    1    .    2]" 1 
        540 1  36 HIS HD2  1 115 LEU QD   . . 3.060 1.980 1.760 2.217     .  0 0 "[    .    1    .    2]" 1 
        541 1  36 HIS HD2  1 115 LEU MD2  . . 3.490 2.312 1.949 2.703     .  0 0 "[    .    1    .    2]" 1 
        542 1  36 HIS HD2  1 115 LEU HG   . . 4.090 3.627 2.789 4.107 0.017 12 0 "[    .    1    .    2]" 1 
        543 1  36 HIS HE1  1  51 LYS HA   . . 4.690 3.999 2.465 4.702 0.012  4 0 "[    .    1    .    2]" 1 
        544 1  36 HIS HE1  1  54 ASN HA   . . 4.590 4.429 3.970 4.625 0.035  3 0 "[    .    1    .    2]" 1 
        545 1  36 HIS HE1  1  55 ASP H    . . 3.710 2.832 2.388 3.692     .  0 0 "[    .    1    .    2]" 1 
        546 1  36 HIS HE1  1  55 ASP HA   . . 5.010 4.030 3.815 4.536     .  0 0 "[    .    1    .    2]" 1 
        547 1  36 HIS HE1  1  56 PRO HA   . . 4.190 2.932 2.655 3.245     .  0 0 "[    .    1    .    2]" 1 
        548 1  36 HIS HE1  1  56 PRO HB3  . . 4.770 4.545 4.275 4.769     .  0 0 "[    .    1    .    2]" 1 
        549 1  36 HIS HE1  1  56 PRO HD2  . . 5.100 5.127 4.923 5.202 0.102 12 0 "[    .    1    .    2]" 1 
        550 1  36 HIS HE1  1  56 PRO HD3  . . 5.100 4.321 4.070 4.443     .  0 0 "[    .    1    .    2]" 1 
        551 1  37 TYR HA   1  38 THR H    . . 3.250 2.170 2.154 2.236     .  0 0 "[    .    1    .    2]" 1 
        552 1  37 TYR HA   1 112 VAL MG1  . . 4.650 4.009 3.508 4.382     .  0 0 "[    .    1    .    2]" 1 
        553 1  37 TYR HA   1 112 VAL MG2  . . 4.460 3.801 3.362 4.215     .  0 0 "[    .    1    .    2]" 1 
        554 1  37 TYR HA   1 113 GLU H    . . 4.090 3.984 3.834 4.094 0.004 20 0 "[    .    1    .    2]" 1 
        555 1  37 TYR QB   1  38 THR H    . . 3.950 3.090 2.859 3.156     .  0 0 "[    .    1    .    2]" 1 
        556 1  37 TYR QB   1 110 PHE QD   . . 4.500 2.900 2.054 4.049     .  0 0 "[    .    1    .    2]" 1 
        557 1  37 TYR QB   1 112 VAL MG2  . . 4.820 3.799 3.319 4.431     .  0 0 "[    .    1    .    2]" 1 
        558 1  37 TYR HB2  1  38 THR H    . . 4.750 3.180 2.916 3.258     .  0 0 "[    .    1    .    2]" 1 
        559 1  37 TYR HB3  1  38 THR H    . . 4.750 4.212 4.110 4.252     .  0 0 "[    .    1    .    2]" 1 
        560 1  37 TYR QD   1  57 PHE HB2  . . 4.180 2.530 2.086 2.931     .  0 0 "[    .    1    .    2]" 1 
        561 1  37 TYR QD   1  57 PHE QB   . . 3.620 2.378 2.010 2.726     .  0 0 "[    .    1    .    2]" 1 
        562 1  37 TYR QD   1  57 PHE HB3  . . 4.180 2.941 2.376 3.410     .  0 0 "[    .    1    .    2]" 1 
        563 1  37 TYR QD   1  57 PHE QD   . . 4.450 3.404 2.794 3.991     .  0 0 "[    .    1    .    2]" 1 
        564 1  37 TYR QD   1 110 PHE QE   . . 4.780 2.908 1.990 4.262     .  0 0 "[    .    1    .    2]" 1 
        565 1  37 TYR QE   1  48 ASP QB   . . 4.860 4.178 3.479 4.862 0.002  4 0 "[    .    1    .    2]" 1 
        566 1  37 TYR QE   1  57 PHE QB   . . 4.000 2.511 1.988 3.095     .  0 0 "[    .    1    .    2]" 1 
        567 1  37 TYR QE   1  70 TRP HH2  . . 4.880 3.324 2.927 3.933     .  0 0 "[    .    1    .    2]" 1 
        568 1  37 TYR QE   1  70 TRP HZ3  . . 5.500 4.684 4.086 5.491     .  0 0 "[    .    1    .    2]" 1 
        569 1  37 TYR QE   1 110 PHE QD   . . 5.500 4.860 4.505 5.502 0.002 10 0 "[    .    1    .    2]" 1 
        570 1  38 THR H    1  38 THR HB   . . 3.940 3.160 2.914 3.340     .  0 0 "[    .    1    .    2]" 1 
        571 1  38 THR H    1  38 THR MG   . . 4.690 3.860 3.792 3.914     .  0 0 "[    .    1    .    2]" 1 
        572 1  38 THR H    1 110 PHE HB3  . . 3.830 3.804 3.485 3.881 0.051  3 0 "[    .    1    .    2]" 1 
        573 1  38 THR H    1 110 PHE QD   . . 4.790 3.563 3.000 3.999     .  0 0 "[    .    1    .    2]" 1 
        574 1  38 THR H    1 111 GLU H    . . 3.930 2.529 2.424 2.720     .  0 0 "[    .    1    .    2]" 1 
        575 1  38 THR H    1 111 GLU QB   . . 4.570 2.996 2.715 3.306     .  0 0 "[    .    1    .    2]" 1 
        576 1  38 THR HA   1  38 THR MG   . . 3.630 2.162 2.110 2.242     .  0 0 "[    .    1    .    2]" 1 
        577 1  38 THR HA   1  39 GLY H    . . 3.340 2.191 2.152 2.302     .  0 0 "[    .    1    .    2]" 1 
        578 1  38 THR HA   1  49 SER HA   . . 3.670 2.650 2.265 3.266     .  0 0 "[    .    1    .    2]" 1 
        579 1  38 THR HB   1  40 TRP HE3  . . 5.500 5.011 4.754 5.168     .  0 0 "[    .    1    .    2]" 1 
        580 1  38 THR HB   1  40 TRP HH2  . . 4.920 4.699 4.275 4.957 0.037 19 0 "[    .    1    .    2]" 1 
        581 1  38 THR HB   1  40 TRP HZ2  . . 4.380 3.346 3.079 3.727     .  0 0 "[    .    1    .    2]" 1 
        582 1  38 THR HB   1  40 TRP HZ3  . . 5.500 5.374 4.970 5.559 0.059  2 0 "[    .    1    .    2]" 1 
        583 1  38 THR HB   1 111 GLU H    . . 4.680 2.942 2.583 3.194     .  0 0 "[    .    1    .    2]" 1 
        584 1  38 THR HB   1 111 GLU HB2  . . 4.660 3.077 2.487 3.547     .  0 0 "[    .    1    .    2]" 1 
        585 1  38 THR HB   1 111 GLU QB   . . 4.100 2.377 1.967 2.840     .  0 0 "[    .    1    .    2]" 1 
        586 1  38 THR HB   1 111 GLU HB3  . . 4.660 2.520 2.016 3.156     .  0 0 "[    .    1    .    2]" 1 
        587 1  38 THR MG   1  39 GLY H    . . 3.510 3.027 2.259 3.362     .  0 0 "[    .    1    .    2]" 1 
        588 1  38 THR MG   1  40 TRP HD1  . . 4.690 3.274 2.908 3.481     .  0 0 "[    .    1    .    2]" 1 
        589 1  38 THR MG   1  40 TRP HH2  . . 4.910 4.634 4.155 4.897     .  0 0 "[    .    1    .    2]" 1 
        590 1  38 THR MG   1  40 TRP HZ2  . . 4.840 2.619 2.128 2.896     .  0 0 "[    .    1    .    2]" 1 
        591 1  38 THR MG   1  46 LYS QD   . . 3.610 2.670 1.924 3.492     .  0 0 "[    .    1    .    2]" 1 
        592 1  38 THR MG   1  46 LYS HE2  . . 5.270 3.926 2.158 5.152     .  0 0 "[    .    1    .    2]" 1 
        593 1  38 THR MG   1  46 LYS QE   . . 4.490 3.333 1.902 4.500 0.010 19 0 "[    .    1    .    2]" 1 
        594 1  38 THR MG   1  46 LYS HE3  . . 5.270 3.858 1.922 5.280 0.010 15 0 "[    .    1    .    2]" 1 
        595 1  38 THR MG   1  47 PHE H    . . 5.180 4.962 4.479 5.227 0.047 15 0 "[    .    1    .    2]" 1 
        596 1  38 THR MG   1  48 ASP H    . . 4.670 4.250 3.943 4.682 0.012  5 0 "[    .    1    .    2]" 1 
        597 1  38 THR MG   1  49 SER HA   . . 4.340 2.374 1.898 2.993     .  0 0 "[    .    1    .    2]" 1 
        598 1  38 THR MG   1  49 SER HB2  . . 4.140 2.982 1.925 3.914     .  0 0 "[    .    1    .    2]" 1 
        599 1  38 THR MG   1  49 SER QB   . . 3.530 2.511 1.834 3.243     .  0 0 "[    .    1    .    2]" 1 
        600 1  38 THR MG   1  49 SER HB3  . . 4.140 2.923 1.945 3.914     .  0 0 "[    .    1    .    2]" 1 
        601 1  38 THR MG   1 111 GLU H    . . 5.090 4.430 4.139 4.631     .  0 0 "[    .    1    .    2]" 1 
        602 1  39 GLY H    1  48 ASP H    . . 4.110 3.946 3.367 4.137 0.027 11 0 "[    .    1    .    2]" 1 
        603 1  39 GLY H    1  49 SER HA   . . 4.520 3.380 2.722 3.739     .  0 0 "[    .    1    .    2]" 1 
        604 1  39 GLY HA2  1  40 TRP H    . . 3.520 2.164 2.149 2.175     .  0 0 "[    .    1    .    2]" 1 
        605 1  39 GLY HA2  1 110 PHE HA   . . 3.970 2.766 2.523 3.127     .  0 0 "[    .    1    .    2]" 1 
        606 1  39 GLY HA2  1 111 GLU H    . . 4.920 4.063 3.862 4.357     .  0 0 "[    .    1    .    2]" 1 
        607 1  39 GLY HA3  1  40 TRP HA   . . 5.110 4.515 4.500 4.524     .  0 0 "[    .    1    .    2]" 1 
        608 1  39 GLY HA3  1  47 PHE QD   . . 4.770 4.087 3.703 4.420     .  0 0 "[    .    1    .    2]" 1 
        609 1  39 GLY HA3  1  47 PHE QE   . . 4.860 3.352 2.836 3.892     .  0 0 "[    .    1    .    2]" 1 
        610 1  39 GLY HA3  1  47 PHE HZ   . . 4.420 3.834 3.296 4.301     .  0 0 "[    .    1    .    2]" 1 
        611 1  39 GLY HA3  1 110 PHE HA   . . 4.770 4.497 4.272 4.801 0.031 19 0 "[    .    1    .    2]" 1 
        612 1  39 GLY HA3  1 110 PHE QD   . . 4.540 3.878 3.332 4.236     .  0 0 "[    .    1    .    2]" 1 
        613 1  39 GLY HA3  1 110 PHE HZ   . . 4.890 3.843 3.307 4.896 0.006 16 0 "[    .    1    .    2]" 1 
        614 1  40 TRP H    1  40 TRP HB2  . . 4.050 2.589 2.496 2.714     .  0 0 "[    .    1    .    2]" 1 
        615 1  40 TRP H    1 109 VAL H    . . 4.300 4.089 3.954 4.182     .  0 0 "[    .    1    .    2]" 1 
        616 1  40 TRP H    1 109 VAL HB   . . 5.010 3.627 3.073 5.171 0.161 19 0 "[    .    1    .    2]" 1 
        617 1  40 TRP H    1 109 VAL QG   . . 4.210 3.868 3.233 4.219 0.009  6 0 "[    .    1    .    2]" 1 
        618 1  40 TRP H    1 110 PHE HA   . . 4.240 2.539 2.348 2.687     .  0 0 "[    .    1    .    2]" 1 
        619 1  40 TRP H    1 110 PHE HB3  . . 5.120 4.959 4.829 5.117     .  0 0 "[    .    1    .    2]" 1 
        620 1  40 TRP H    1 110 PHE QD   . . 4.040 3.973 3.539 4.095 0.055  3 0 "[    .    1    .    2]" 1 
        621 1  40 TRP H    1 111 GLU H    . . 5.060 4.003 3.786 4.213     .  0 0 "[    .    1    .    2]" 1 
        622 1  40 TRP HA   1  40 TRP HD1  . . 3.950 2.207 2.085 2.342     .  0 0 "[    .    1    .    2]" 1 
        623 1  40 TRP HA   1  41 LEU H    . . 3.390 2.348 2.260 2.473     .  0 0 "[    .    1    .    2]" 1 
        624 1  40 TRP HA   1  41 LEU QB   . . 5.340 4.199 4.000 4.389     .  0 0 "[    .    1    .    2]" 1 
        625 1  40 TRP HA   1  46 LYS HA   . . 3.500 2.140 1.934 2.514     .  0 0 "[    .    1    .    2]" 1 
        626 1  40 TRP HA   1  46 LYS QB   . . 4.500 3.827 3.039 4.425     .  0 0 "[    .    1    .    2]" 1 
        627 1  40 TRP HA   1  46 LYS QG   . . 4.540 3.833 3.412 4.856 0.316 19 0 "[    .    1    .    2]" 1 
        628 1  40 TRP HA   1  47 PHE H    . . 3.840 3.001 2.618 3.336     .  0 0 "[    .    1    .    2]" 1 
        629 1  40 TRP HA   1  47 PHE QD   . . 4.220 2.913 2.528 3.743     .  0 0 "[    .    1    .    2]" 1 
        630 1  40 TRP HA   1  47 PHE QE   . . 4.730 3.562 3.092 4.003     .  0 0 "[    .    1    .    2]" 1 
        631 1  40 TRP HA   1  48 ASP H    . . 5.030 4.536 4.024 5.038 0.008  1 0 "[    .    1    .    2]" 1 
        632 1  40 TRP HB2  1  40 TRP HE3  . . 3.890 2.689 2.548 2.804     .  0 0 "[    .    1    .    2]" 1 
        633 1  40 TRP HB2  1  41 LEU H    . . 4.950 3.739 3.372 3.957     .  0 0 "[    .    1    .    2]" 1 
        634 1  40 TRP HB2  1 109 VAL HB   . . 4.330 2.542 2.130 3.695     .  0 0 "[    .    1    .    2]" 1 
        635 1  40 TRP HB2  1 109 VAL QG   . . 4.160 2.798 1.860 3.272     .  0 0 "[    .    1    .    2]" 1 
        636 1  40 TRP HB2  1 110 PHE HA   . . 4.750 3.813 3.234 4.239     .  0 0 "[    .    1    .    2]" 1 
        637 1  40 TRP HB2  1 111 GLU H    . . 5.020 4.536 4.068 5.026 0.006  5 0 "[    .    1    .    2]" 1 
        638 1  40 TRP HB3  1  41 LEU H    . . 3.860 2.588 2.332 2.817     .  0 0 "[    .    1    .    2]" 1 
        639 1  40 TRP HB3  1 109 VAL HB   . . 4.460 3.557 3.093 4.614 0.154  1 0 "[    .    1    .    2]" 1 
        640 1  40 TRP HB3  1 109 VAL QG   . . 4.610 3.566 2.186 4.305     .  0 0 "[    .    1    .    2]" 1 
        641 1  40 TRP HD1  1  41 LEU H    . . 4.730 4.319 4.129 4.484     .  0 0 "[    .    1    .    2]" 1 
        642 1  40 TRP HD1  1  46 LYS H    . . 4.680 4.629 4.245 4.742 0.062  7 0 "[    .    1    .    2]" 1 
        643 1  40 TRP HD1  1  46 LYS HA   . . 3.690 2.180 1.960 2.635     .  0 0 "[    .    1    .    2]" 1 
        644 1  40 TRP HD1  1  46 LYS HB2  . . 4.330 2.647 1.927 3.387     .  0 0 "[    .    1    .    2]" 1 
        645 1  40 TRP HD1  1  46 LYS QB   . . 3.630 2.602 1.895 3.273     .  0 0 "[    .    1    .    2]" 1 
        646 1  40 TRP HD1  1  46 LYS HB3  . . 4.330 3.884 2.439 4.342 0.012  9 0 "[    .    1    .    2]" 1 
        647 1  40 TRP HE3  1  84 ARG QB   . . 4.440 3.129 2.514 4.039     .  0 0 "[    .    1    .    2]" 1 
        648 1  40 TRP HE3  1  84 ARG QD   . . 4.050 2.738 1.907 4.028     .  0 0 "[    .    1    .    2]" 1 
        649 1  40 TRP HE3  1  84 ARG QG   . . 4.540 3.635 2.108 4.566 0.026 15 0 "[    .    1    .    2]" 1 
        650 1  40 TRP HE3  1 109 VAL HB   . . 4.820 4.152 3.875 4.393     .  0 0 "[    .    1    .    2]" 1 
        651 1  40 TRP HE3  1 109 VAL QG   . . 3.500 3.059 2.495 3.516 0.016  9 0 "[    .    1    .    2]" 1 
        652 1  40 TRP HH2  1 111 GLU HB2  . . 4.280 3.302 3.140 3.569     .  0 0 "[    .    1    .    2]" 1 
        653 1  40 TRP HH2  1 111 GLU QB   . . 3.540 3.121 2.941 3.326     .  0 0 "[    .    1    .    2]" 1 
        654 1  40 TRP HH2  1 111 GLU HB3  . . 4.280 3.875 3.547 4.231     .  0 0 "[    .    1    .    2]" 1 
        655 1  40 TRP HH2  1 111 GLU HG2  . . 4.500 3.958 2.985 4.276     .  0 0 "[    .    1    .    2]" 1 
        656 1  40 TRP HH2  1 111 GLU QG   . . 3.720 2.379 2.126 2.908     .  0 0 "[    .    1    .    2]" 1 
        657 1  40 TRP HH2  1 111 GLU HG3  . . 4.500 2.401 2.136 2.960     .  0 0 "[    .    1    .    2]" 1 
        658 1  40 TRP HZ2  1 111 GLU H    . . 5.500 5.612 5.535 5.686 0.186  8 0 "[    .    1    .    2]" 1 
        659 1  40 TRP HZ2  1 111 GLU HB2  . . 4.400 3.875 3.587 4.249     .  0 0 "[    .    1    .    2]" 1 
        660 1  40 TRP HZ2  1 111 GLU QB   . . 3.870 3.432 3.300 3.582     .  0 0 "[    .    1    .    2]" 1 
        661 1  40 TRP HZ2  1 111 GLU HB3  . . 4.400 3.850 3.624 4.095     .  0 0 "[    .    1    .    2]" 1 
        662 1  40 TRP HZ3  1  84 ARG QB   . . 4.500 2.272 1.948 2.774     .  0 0 "[    .    1    .    2]" 1 
        663 1  41 LEU H    1  41 LEU HB2  . . 3.730 2.256 2.113 2.412     .  0 0 "[    .    1    .    2]" 1 
        664 1  41 LEU H    1  41 LEU HB3  . . 3.730 3.454 2.776 3.605     .  0 0 "[    .    1    .    2]" 1 
        665 1  41 LEU H    1  41 LEU HG   . . 4.720 3.927 3.155 4.541     .  0 0 "[    .    1    .    2]" 1 
        666 1  41 LEU H    1  45 GLN H    . . 4.260 3.298 2.923 3.949     .  0 0 "[    .    1    .    2]" 1 
        667 1  41 LEU H    1  45 GLN QB   . . 5.110 4.191 3.242 4.938     .  0 0 "[    .    1    .    2]" 1 
        668 1  41 LEU H    1  45 GLN QG   . . 4.860 4.025 3.257 4.945 0.085 14 0 "[    .    1    .    2]" 1 
        669 1  41 LEU H    1  46 LYS HA   . . 4.450 3.377 2.789 3.870     .  0 0 "[    .    1    .    2]" 1 
        670 1  41 LEU H    1  47 PHE QD   . . 4.870 3.551 2.892 3.937     .  0 0 "[    .    1    .    2]" 1 
        671 1  41 LEU HA   1  41 LEU QD   . . 3.600 2.519 1.963 2.951     .  0 0 "[    .    1    .    2]" 1 
        672 1  41 LEU HA   1  41 LEU HG   . . 4.000 2.707 2.159 3.697     .  0 0 "[    .    1    .    2]" 1 
        673 1  41 LEU HA   1  42 THR H    . . 3.360 2.400 2.299 2.539     .  0 0 "[    .    1    .    2]" 1 
        674 1  41 LEU HA   1  42 THR MG   . . 4.280 3.618 3.436 4.207     .  0 0 "[    .    1    .    2]" 1 
        675 1  41 LEU HA   1  43 ASP H    . . 4.900 3.995 3.909 4.370     .  0 0 "[    .    1    .    2]" 1 
        676 1  41 LEU HA   1  47 PHE QD   . . 4.680 4.257 3.507 4.686 0.006 15 0 "[    .    1    .    2]" 1 
        677 1  41 LEU QB   1  42 THR H    . . 3.590 2.517 2.104 3.237     .  0 0 "[    .    1    .    2]" 1 
        678 1  41 LEU QB   1  45 GLN H    . . 3.770 2.528 2.132 3.118     .  0 0 "[    .    1    .    2]" 1 
        679 1  41 LEU HB2  1  42 THR H    . . 4.210 3.872 3.494 4.067     .  0 0 "[    .    1    .    2]" 1 
        680 1  41 LEU HB2  1  43 ASP H    . . 4.030 3.360 2.837 4.060 0.030 10 0 "[    .    1    .    2]" 1 
        681 1  41 LEU HB2  1  45 GLN H    . . 4.310 2.665 2.180 3.433     .  0 0 "[    .    1    .    2]" 1 
        682 1  41 LEU HB3  1  42 THR H    . . 4.210 2.555 2.120 3.405     .  0 0 "[    .    1    .    2]" 1 
        683 1  41 LEU HB3  1  43 ASP H    . . 4.030 2.263 2.043 2.480     .  0 0 "[    .    1    .    2]" 1 
        684 1  41 LEU HB3  1  45 GLN H    . . 4.310 3.484 2.250 4.207     .  0 0 "[    .    1    .    2]" 1 
        685 1  41 LEU QD   1  42 THR H    . . 4.030 2.986 1.999 3.815     .  0 0 "[    .    1    .    2]" 1 
        686 1  41 LEU QD   1  43 ASP H    . . 4.800 3.496 2.544 4.029     .  0 0 "[    .    1    .    2]" 1 
        687 1  41 LEU QD   1  45 GLN H    . . 4.660 3.724 3.326 4.224     .  0 0 "[    .    1    .    2]" 1 
        688 1  41 LEU QD   1  45 GLN QB   . . 3.680 2.934 1.856 3.735 0.055 20 0 "[    .    1    .    2]" 1 
        689 1  41 LEU QD   1  45 GLN QE   . . 3.940 3.074 2.182 3.945 0.005  7 0 "[    .    1    .    2]" 1 
        690 1  41 LEU QD   1  45 GLN QG   . . 3.850 2.542 1.840 3.890 0.040  8 0 "[    .    1    .    2]" 1 
        691 1  41 LEU QD   1  47 PHE HA   . . 5.410 4.438 3.805 5.413 0.003 10 0 "[    .    1    .    2]" 1 
        692 1  41 LEU QD   1  47 PHE QB   . . 3.540 2.486 1.890 3.527     .  0 0 "[    .    1    .    2]" 1 
        693 1  41 LEU QD   1  47 PHE QD   . . 3.640 2.222 1.889 3.291     .  0 0 "[    .    1    .    2]" 1 
        694 1  41 LEU QD   1  47 PHE QE   . . 4.530 3.019 2.138 3.469     .  0 0 "[    .    1    .    2]" 1 
        695 1  41 LEU QD   1  47 PHE HZ   . . 4.680 4.260 3.582 4.682 0.002 18 0 "[    .    1    .    2]" 1 
        696 1  41 LEU MD1  1  42 THR H    . . 4.710 3.976 2.003 4.729 0.019 15 0 "[    .    1    .    2]" 1 
        697 1  41 LEU MD1  1  47 PHE QD   . . 4.780 2.744 1.898 4.569     .  0 0 "[    .    1    .    2]" 1 
        698 1  41 LEU MD2  1  42 THR H    . . 4.710 3.525 2.282 4.530     .  0 0 "[    .    1    .    2]" 1 
        699 1  41 LEU MD2  1  47 PHE QD   . . 4.780 3.683 1.896 4.713     .  0 0 "[    .    1    .    2]" 1 
        700 1  41 LEU HG   1  42 THR H    . . 4.500 3.846 1.981 4.504 0.004 18 0 "[    .    1    .    2]" 1 
        701 1  41 LEU HG   1  43 ASP H    . . 5.500 4.676 2.791 5.182     .  0 0 "[    .    1    .    2]" 1 
        702 1  41 LEU HG   1  47 PHE QD   . . 4.600 3.816 2.369 4.622 0.022  7 0 "[    .    1    .    2]" 1 
        703 1  42 THR H    1  42 THR MG   . . 3.390 2.023 1.905 2.697     .  0 0 "[    .    1    .    2]" 1 
        704 1  42 THR H    1  43 ASP H    . . 3.830 2.647 2.545 2.717     .  0 0 "[    .    1    .    2]" 1 
        705 1  42 THR H    1 109 VAL QG   . . 5.210 2.941 2.549 3.980     .  0 0 "[    .    1    .    2]" 1 
        706 1  42 THR HA   1  42 THR MG   . . 3.200 2.434 2.206 2.524     .  0 0 "[    .    1    .    2]" 1 
        707 1  42 THR HA   1  44 GLY H    . . 4.250 3.941 3.775 4.155     .  0 0 "[    .    1    .    2]" 1 
        708 1  42 THR HA   1 109 VAL MG1  . . 4.470 3.873 2.771 4.222     .  0 0 "[    .    1    .    2]" 1 
        709 1  42 THR HA   1 109 VAL QG   . . 3.700 2.097 1.904 2.931     .  0 0 "[    .    1    .    2]" 1 
        710 1  42 THR HA   1 109 VAL MG2  . . 4.470 2.159 1.907 3.466     .  0 0 "[    .    1    .    2]" 1 
        711 1  42 THR HB   1  43 ASP H    . . 4.910 4.182 3.680 4.401     .  0 0 "[    .    1    .    2]" 1 
        712 1  42 THR HB   1 107 THR HB   . . 5.150 4.212 3.898 4.719     .  0 0 "[    .    1    .    2]" 1 
        713 1  42 THR HB   1 107 THR MG   . . 5.500 4.608 3.986 5.244     .  0 0 "[    .    1    .    2]" 1 
        714 1  42 THR HB   1 109 VAL MG1  . . 5.500 5.488 4.802 5.580 0.080  8 0 "[    .    1    .    2]" 1 
        715 1  42 THR HB   1 109 VAL MG2  . . 5.500 3.786 3.386 5.521 0.021  1 0 "[    .    1    .    2]" 1 
        716 1  42 THR MG   1 107 THR H    . . 3.770 3.038 2.555 3.767     .  0 0 "[    .    1    .    2]" 1 
        717 1  42 THR MG   1 107 THR HB   . . 3.430 2.080 1.882 2.697     .  0 0 "[    .    1    .    2]" 1 
        718 1  42 THR MG   1 107 THR MG   . . 3.290 2.707 1.971 3.241     .  0 0 "[    .    1    .    2]" 1 
        719 1  42 THR MG   1 108 LEU H    . . 4.670 4.150 3.763 4.540     .  0 0 "[    .    1    .    2]" 1 
        720 1  42 THR MG   1 108 LEU HA   . . 4.130 3.330 2.893 3.746     .  0 0 "[    .    1    .    2]" 1 
        721 1  42 THR MG   1 109 VAL H    . . 4.680 3.674 3.362 4.263     .  0 0 "[    .    1    .    2]" 1 
        722 1  42 THR MG   1 109 VAL QG   . . 3.550 2.332 2.006 3.433     .  0 0 "[    .    1    .    2]" 1 
        723 1  43 ASP H    1  43 ASP HB2  . . 4.170 2.598 2.261 3.642     .  0 0 "[    .    1    .    2]" 1 
        724 1  43 ASP H    1  43 ASP QB   . . 3.590 2.425 2.204 2.906     .  0 0 "[    .    1    .    2]" 1 
        725 1  43 ASP H    1  43 ASP HB3  . . 4.170 3.372 2.538 3.657     .  0 0 "[    .    1    .    2]" 1 
        726 1  43 ASP H    1  44 GLY H    . . 3.470 2.297 2.130 2.472     .  0 0 "[    .    1    .    2]" 1 
        727 1  43 ASP H    1  45 GLN H    . . 4.500 3.514 3.306 3.872     .  0 0 "[    .    1    .    2]" 1 
        728 1  44 GLY H    1  45 GLN H    . . 3.390 2.153 2.020 2.425     .  0 0 "[    .    1    .    2]" 1 
        729 1  45 GLN H    1  45 GLN HB2  . . 3.650 3.159 2.287 3.701 0.051 11 0 "[    .    1    .    2]" 1 
        730 1  45 GLN H    1  45 GLN QB   . . 3.000 2.466 2.143 2.792     .  0 0 "[    .    1    .    2]" 1 
        731 1  45 GLN H    1  45 GLN HB3  . . 3.650 2.882 2.179 3.621     .  0 0 "[    .    1    .    2]" 1 
        732 1  45 GLN H    1  45 GLN QG   . . 3.520 2.545 1.925 3.724 0.204 13 0 "[    .    1    .    2]" 1 
        733 1  45 GLN H    1  46 LYS H    . . 4.770 4.522 4.420 4.635     .  0 0 "[    .    1    .    2]" 1 
        734 1  45 GLN HA   1  46 LYS H    . . 2.900 2.189 2.138 2.260     .  0 0 "[    .    1    .    2]" 1 
        735 1  45 GLN QB   1  45 GLN QE   . . 3.830 2.628 1.936 3.706     .  0 0 "[    .    1    .    2]" 1 
        736 1  45 GLN HB2  1  46 LYS H    . . 4.600 3.593 2.910 4.382     .  0 0 "[    .    1    .    2]" 1 
        737 1  45 GLN HB3  1  46 LYS H    . . 4.600 3.871 2.823 4.490     .  0 0 "[    .    1    .    2]" 1 
        738 1  45 GLN QE   1  45 GLN QG   . . 3.090 2.319 2.070 2.576     .  0 0 "[    .    1    .    2]" 1 
        739 1  45 GLN HG2  1  46 LYS H    . . 4.780 4.604 3.996 4.822 0.042 20 0 "[    .    1    .    2]" 1 
        740 1  45 GLN HG3  1  46 LYS H    . . 4.780 4.133 2.799 4.837 0.057 12 0 "[    .    1    .    2]" 1 
        741 1  46 LYS H    1  46 LYS HB2  . . 3.410 2.905 2.608 3.671 0.261 15 0 "[    .    1    .    2]" 1 
        742 1  46 LYS H    1  46 LYS HB3  . . 3.410 2.434 2.331 2.716     .  0 0 "[    .    1    .    2]" 1 
        743 1  46 LYS H    1  46 LYS QD   . . 4.840 4.463 3.298 4.756     .  0 0 "[    .    1    .    2]" 1 
        744 1  46 LYS H    1  46 LYS QG   . . 4.310 3.816 2.179 4.059     .  0 0 "[    .    1    .    2]" 1 
        745 1  46 LYS HA   1  46 LYS QG   . . 3.320 2.596 2.289 3.338 0.018 15 0 "[    .    1    .    2]" 1 
        746 1  46 LYS HA   1  47 PHE H    . . 3.310 2.207 2.147 2.343     .  0 0 "[    .    1    .    2]" 1 
        747 1  46 LYS HA   1  48 ASP H    . . 4.120 3.706 3.538 3.931     .  0 0 "[    .    1    .    2]" 1 
        748 1  46 LYS QB   1  46 LYS QE   . . 3.820 2.749 1.957 3.608     .  0 0 "[    .    1    .    2]" 1 
        749 1  46 LYS QD   1  49 SER HB2  . . 4.190 3.458 2.323 4.110     .  0 0 "[    .    1    .    2]" 1 
        750 1  46 LYS QD   1  49 SER QB   . . 3.640 2.467 1.905 3.641 0.001 15 0 "[    .    1    .    2]" 1 
        751 1  46 LYS QD   1  49 SER HB3  . . 4.190 2.723 1.985 4.198 0.008 15 0 "[    .    1    .    2]" 1 
        752 1  46 LYS QE   1  49 SER QB   . . 3.840 2.494 1.954 3.234     .  0 0 "[    .    1    .    2]" 1 
        753 1  46 LYS QG   1  47 PHE H    . . 3.940 2.606 1.945 3.523     .  0 0 "[    .    1    .    2]" 1 
        754 1  46 LYS QG   1  47 PHE HA   . . 4.830 3.562 3.325 4.040     .  0 0 "[    .    1    .    2]" 1 
        755 1  46 LYS QG   1  48 ASP H    . . 3.520 2.283 1.882 3.396     .  0 0 "[    .    1    .    2]" 1 
        756 1  47 PHE H    1  47 PHE QD   . . 4.030 2.326 1.947 3.123     .  0 0 "[    .    1    .    2]" 1 
        757 1  47 PHE H    1  48 ASP H    . . 3.130 2.009 1.885 2.255     .  0 0 "[    .    1    .    2]" 1 
        758 1  47 PHE HA   1  47 PHE QD   . . 4.330 3.712 3.683 3.725     .  0 0 "[    .    1    .    2]" 1 
        759 1  47 PHE QD   1  48 ASP H    . . 4.250 3.771 2.919 4.164     .  0 0 "[    .    1    .    2]" 1 
        760 1  47 PHE QD   1  48 ASP QB   . . 3.750 3.243 2.341 3.579     .  0 0 "[    .    1    .    2]" 1 
        761 1  47 PHE QE   1 102 ILE MD   . . 4.880 4.606 4.145 4.902 0.022  6 0 "[    .    1    .    2]" 1 
        762 1  47 PHE QE   1 108 LEU MD2  . . 4.600 3.384 2.844 3.803     .  0 0 "[    .    1    .    2]" 1 
        763 1  47 PHE HZ   1 102 ILE MD   . . 5.380 5.342 5.020 5.409 0.029 19 0 "[    .    1    .    2]" 1 
        764 1  47 PHE HZ   1 108 LEU HB3  . . 5.190 3.438 2.769 3.973     .  0 0 "[    .    1    .    2]" 1 
        765 1  47 PHE HZ   1 108 LEU MD1  . . 4.440 3.680 2.863 4.183     .  0 0 "[    .    1    .    2]" 1 
        766 1  47 PHE HZ   1 108 LEU MD2  . . 4.500 2.928 1.950 3.738     .  0 0 "[    .    1    .    2]" 1 
        767 1  47 PHE HZ   1 110 PHE QE   . . 4.360 3.236 2.310 3.960     .  0 0 "[    .    1    .    2]" 1 
        768 1  49 SER HA   1  50 SER H    . . 3.250 2.184 2.142 2.269     .  0 0 "[    .    1    .    2]" 1 
        769 1  49 SER QB   1  51 LYS H    . . 4.350 2.701 2.201 3.973     .  0 0 "[    .    1    .    2]" 1 
        770 1  49 SER QB   1  51 LYS QB   . . 3.960 3.105 2.421 3.974 0.014 19 0 "[    .    1    .    2]" 1 
        771 1  49 SER QB   1  51 LYS QD   . . 5.000 3.344 2.006 4.753     .  0 0 "[    .    1    .    2]" 1 
        772 1  49 SER QB   1  52 ASP H    . . 4.250 3.777 3.239 4.289 0.039  3 0 "[    .    1    .    2]" 1 
        773 1  49 SER HB2  1  50 SER H    . . 4.700 3.498 2.935 4.395     .  0 0 "[    .    1    .    2]" 1 
        774 1  49 SER HB3  1  50 SER H    . . 4.700 4.038 3.015 4.539     .  0 0 "[    .    1    .    2]" 1 
        775 1  50 SER H    1  51 LYS H    . . 3.600 2.578 2.534 2.641     .  0 0 "[    .    1    .    2]" 1 
        776 1  51 LYS H    1  51 LYS HB2  . . 4.150 2.928 2.320 3.586     .  0 0 "[    .    1    .    2]" 1 
        777 1  51 LYS H    1  51 LYS HB3  . . 4.150 3.108 2.358 3.590     .  0 0 "[    .    1    .    2]" 1 
        778 1  51 LYS H    1  51 LYS QD   . . 4.730 3.612 2.996 4.280     .  0 0 "[    .    1    .    2]" 1 
        779 1  51 LYS H    1  51 LYS HG2  . . 4.190 2.772 1.952 3.972     .  0 0 "[    .    1    .    2]" 1 
        780 1  51 LYS H    1  51 LYS QG   . . 3.460 2.260 1.939 2.588     .  0 0 "[    .    1    .    2]" 1 
        781 1  51 LYS H    1  51 LYS HG3  . . 4.190 3.083 2.040 3.861     .  0 0 "[    .    1    .    2]" 1 
        782 1  51 LYS H    1  52 ASP H    . . 3.640 2.688 2.645 2.708     .  0 0 "[    .    1    .    2]" 1 
        783 1  51 LYS HA   1  51 LYS QE   . . 4.780 4.296 3.561 4.774     .  0 0 "[    .    1    .    2]" 1 
        784 1  51 LYS HA   1  51 LYS HG2  . . 4.040 3.091 2.343 3.812     .  0 0 "[    .    1    .    2]" 1 
        785 1  51 LYS HA   1  51 LYS QG   . . 3.360 2.855 2.293 3.341     .  0 0 "[    .    1    .    2]" 1 
        786 1  51 LYS HA   1  51 LYS HG3  . . 4.040 3.471 2.513 3.944     .  0 0 "[    .    1    .    2]" 1 
        787 1  51 LYS HA   1  54 ASN H    . . 4.040 2.844 2.656 3.146     .  0 0 "[    .    1    .    2]" 1 
        788 1  51 LYS HA   1  54 ASN HA   . . 4.390 2.888 2.638 3.403     .  0 0 "[    .    1    .    2]" 1 
        789 1  51 LYS HA   1  54 ASN QD   . . 4.830 3.877 3.118 4.686     .  0 0 "[    .    1    .    2]" 1 
        790 1  51 LYS HA   1  55 ASP H    . . 4.710 3.734 2.924 4.295     .  0 0 "[    .    1    .    2]" 1 
        791 1  51 LYS QB   1  51 LYS QE   . . 3.860 2.461 1.946 3.764     .  0 0 "[    .    1    .    2]" 1 
        792 1  51 LYS QB   1  52 ASP H    . . 3.680 3.201 2.809 3.660     .  0 0 "[    .    1    .    2]" 1 
        793 1  51 LYS HB2  1  51 LYS QE   . . 4.640 2.993 1.967 4.453     .  0 0 "[    .    1    .    2]" 1 
        794 1  51 LYS HB2  1  52 ASP H    . . 4.230 3.450 2.893 4.133     .  0 0 "[    .    1    .    2]" 1 
        795 1  51 LYS HB3  1  51 LYS QE   . . 4.640 2.871 2.025 4.060     .  0 0 "[    .    1    .    2]" 1 
        796 1  51 LYS HB3  1  52 ASP H    . . 4.230 3.966 3.803 4.123     .  0 0 "[    .    1    .    2]" 1 
        797 1  52 ASP H    1  52 ASP HB2  . . 3.840 2.530 2.238 3.566     .  0 0 "[    .    1    .    2]" 1 
        798 1  52 ASP H    1  52 ASP QB   . . 3.240 2.248 2.166 2.389     .  0 0 "[    .    1    .    2]" 1 
        799 1  52 ASP H    1  52 ASP HB3  . . 3.840 2.827 2.313 3.586     .  0 0 "[    .    1    .    2]" 1 
        800 1  52 ASP H    1  53 ARG H    . . 3.840 2.770 2.630 2.831     .  0 0 "[    .    1    .    2]" 1 
        801 1  52 ASP QB   1  53 ARG H    . . 3.920 2.809 2.521 3.474     .  0 0 "[    .    1    .    2]" 1 
        802 1  52 ASP HB2  1  53 ARG H    . . 4.610 3.674 2.731 4.261     .  0 0 "[    .    1    .    2]" 1 
        803 1  52 ASP HB3  1  53 ARG H    . . 4.610 3.079 2.558 3.850     .  0 0 "[    .    1    .    2]" 1 
        804 1  53 ARG H    1  53 ARG HB2  . . 4.050 2.826 2.302 3.693     .  0 0 "[    .    1    .    2]" 1 
        805 1  53 ARG H    1  53 ARG QB   . . 3.550 2.483 2.210 3.068     .  0 0 "[    .    1    .    2]" 1 
        806 1  53 ARG H    1  53 ARG HB3  . . 4.050 2.859 2.555 3.720     .  0 0 "[    .    1    .    2]" 1 
        807 1  53 ARG H    1  53 ARG HG2  . . 5.380 4.045 2.082 4.786     .  0 0 "[    .    1    .    2]" 1 
        808 1  53 ARG H    1  53 ARG QG   . . 4.650 3.580 2.070 4.152     .  0 0 "[    .    1    .    2]" 1 
        809 1  53 ARG H    1  53 ARG HG3  . . 5.380 4.119 2.443 4.594     .  0 0 "[    .    1    .    2]" 1 
        810 1  53 ARG H    1  54 ASN H    . . 3.550 2.176 1.963 2.438     .  0 0 "[    .    1    .    2]" 1 
        811 1  53 ARG QB   1  55 ASP H    . . 4.160 3.553 2.622 4.187 0.027 19 0 "[    .    1    .    2]" 1 
        812 1  53 ARG QB   1  55 ASP QB   . . 3.750 3.218 2.643 3.757 0.007 12 0 "[    .    1    .    2]" 1 
        813 1  53 ARG QG   1  55 ASP H    . . 4.960 4.147 2.202 4.958     .  0 0 "[    .    1    .    2]" 1 
        814 1  53 ARG QG   1  55 ASP QB   . . 3.580 3.049 1.974 3.668 0.088 18 0 "[    .    1    .    2]" 1 
        815 1  54 ASN H    1  54 ASN QB   . . 3.510 3.165 2.855 3.443     .  0 0 "[    .    1    .    2]" 1 
        816 1  54 ASN H    1  55 ASP H    . . 3.800 2.821 2.595 2.992     .  0 0 "[    .    1    .    2]" 1 
        817 1  54 ASN HA   1  54 ASN QD   . . 4.510 2.555 2.017 3.623     .  0 0 "[    .    1    .    2]" 1 
        818 1  54 ASN HA   1  55 ASP H    . . 3.470 2.638 2.449 2.980     .  0 0 "[    .    1    .    2]" 1 
        819 1  54 ASN QB   1  54 ASN QD   . . 3.100 2.320 2.099 2.511     .  0 0 "[    .    1    .    2]" 1 
        820 1  55 ASP H    1  55 ASP HB2  . . 3.790 3.522 2.381 3.904 0.114 12 0 "[    .    1    .    2]" 1 
        821 1  55 ASP H    1  55 ASP HB3  . . 3.790 3.093 2.442 3.717     .  0 0 "[    .    1    .    2]" 1 
        822 1  55 ASP H    1  56 PRO HD2  . . 5.090 4.685 4.223 4.815     .  0 0 "[    .    1    .    2]" 1 
        823 1  55 ASP H    1  56 PRO QD   . . 4.450 4.059 3.391 4.329     .  0 0 "[    .    1    .    2]" 1 
        824 1  55 ASP H    1  56 PRO HD3  . . 5.090 4.463 3.572 4.906     .  0 0 "[    .    1    .    2]" 1 
        825 1  55 ASP HA   1  56 PRO HD2  . . 3.240 2.256 1.982 2.430     .  0 0 "[    .    1    .    2]" 1 
        826 1  55 ASP HA   1  56 PRO HD3  . . 3.240 2.346 2.258 2.803     .  0 0 "[    .    1    .    2]" 1 
        827 1  55 ASP HA   1  56 PRO HG2  . . 4.660 4.391 4.150 4.536     .  0 0 "[    .    1    .    2]" 1 
        828 1  55 ASP HA   1  56 PRO QG   . . 4.080 3.929 3.843 4.019     .  0 0 "[    .    1    .    2]" 1 
        829 1  55 ASP HA   1  56 PRO HG3  . . 4.660 4.438 4.394 4.576     .  0 0 "[    .    1    .    2]" 1 
        830 1  55 ASP QB   1  56 PRO QD   . . 3.930 2.926 2.003 3.790     .  0 0 "[    .    1    .    2]" 1 
        831 1  56 PRO HA   1  57 PHE H    . . 3.230 2.221 2.181 2.554     .  0 0 "[    .    1    .    2]" 1 
        832 1  56 PRO HA   1  57 PHE QB   . . 4.720 4.038 3.988 4.070     .  0 0 "[    .    1    .    2]" 1 
        833 1  56 PRO HA   1 115 LEU QD   . . 4.430 3.040 2.470 3.584     .  0 0 "[    .    1    .    2]" 1 
        834 1  56 PRO HB2  1  57 PHE H    . . 4.090 3.185 2.253 3.332     .  0 0 "[    .    1    .    2]" 1 
        835 1  56 PRO HB2  1 115 LEU QD   . . 3.540 2.669 2.453 2.849     .  0 0 "[    .    1    .    2]" 1 
        836 1  56 PRO HB3  1  57 PHE H    . . 3.960 3.782 3.283 3.868     .  0 0 "[    .    1    .    2]" 1 
        837 1  56 PRO HB3  1 115 LEU QD   . . 3.040 1.887 1.734 2.082     .  0 0 "[    .    1    .    2]" 1 
        838 1  56 PRO QD   1 115 LEU QD   . . 4.720 3.580 3.168 3.998     .  0 0 "[    .    1    .    2]" 1 
        839 1  56 PRO QG   1  57 PHE H    . . 4.550 4.496 3.903 4.577 0.027 10 0 "[    .    1    .    2]" 1 
        840 1  56 PRO QG   1 115 LEU QD   . . 3.890 2.886 2.304 3.268     .  0 0 "[    .    1    .    2]" 1 
        841 1  57 PHE H    1  57 PHE HB2  . . 3.760 2.490 2.305 2.951     .  0 0 "[    .    1    .    2]" 1 
        842 1  57 PHE H    1  57 PHE QB   . . 3.260 2.301 2.213 2.506     .  0 0 "[    .    1    .    2]" 1 
        843 1  57 PHE H    1  57 PHE HB3  . . 3.760 2.736 2.627 2.856     .  0 0 "[    .    1    .    2]" 1 
        844 1  57 PHE H    1  57 PHE QD   . . 5.090 4.155 4.014 4.326     .  0 0 "[    .    1    .    2]" 1 
        845 1  57 PHE H    1  58 ALA H    . . 5.010 4.254 4.032 4.386     .  0 0 "[    .    1    .    2]" 1 
        846 1  57 PHE H    1 115 LEU QD   . . 4.940 3.759 3.151 4.161     .  0 0 "[    .    1    .    2]" 1 
        847 1  57 PHE HA   1  57 PHE QD   . . 4.110 2.263 2.015 2.752     .  0 0 "[    .    1    .    2]" 1 
        848 1  57 PHE HA   1  58 ALA H    . . 2.950 2.174 2.142 2.183     .  0 0 "[    .    1    .    2]" 1 
        849 1  57 PHE HA   1  58 ALA MB   . . 4.130 4.055 3.977 4.096     .  0 0 "[    .    1    .    2]" 1 
        850 1  57 PHE QB   1  58 ALA HA   . . 5.320 4.538 4.429 4.660     .  0 0 "[    .    1    .    2]" 1 
        851 1  57 PHE QB   1  59 PHE QD   . . 5.290 3.887 3.597 4.361     .  0 0 "[    .    1    .    2]" 1 
        852 1  57 PHE QD   1  58 ALA H    . . 4.090 3.793 3.303 4.104 0.014 19 0 "[    .    1    .    2]" 1 
        853 1  57 PHE QD   1  66 VAL MG1  . . 4.900 4.553 4.128 4.909 0.009 16 0 "[    .    1    .    2]" 1 
        854 1  57 PHE QD   1  70 TRP HE3  . . 5.130 4.743 4.268 5.119     .  0 0 "[    .    1    .    2]" 1 
        855 1  57 PHE QD   1  70 TRP HH2  . . 4.780 4.285 3.349 4.730     .  0 0 "[    .    1    .    2]" 1 
        856 1  57 PHE QE   1  59 PHE QB   . . 3.940 3.656 3.406 3.930     .  0 0 "[    .    1    .    2]" 1 
        857 1  57 PHE QE   1  70 TRP HE3  . . 4.510 4.069 3.465 4.513 0.003  2 0 "[    .    1    .    2]" 1 
        858 1  57 PHE QE   1  70 TRP HZ3  . . 3.940 2.624 2.201 3.002     .  0 0 "[    .    1    .    2]" 1 
        859 1  57 PHE HZ   1  66 VAL MG1  . . 4.730 4.336 2.920 4.736 0.006  9 0 "[    .    1    .    2]" 1 
        860 1  58 ALA H    1  58 ALA MB   . . 3.140 2.327 2.184 2.459     .  0 0 "[    .    1    .    2]" 1 
        861 1  58 ALA HA   1  59 PHE H    . . 2.980 2.165 2.141 2.227     .  0 0 "[    .    1    .    2]" 1 
        862 1  58 ALA HA   1  59 PHE QD   . . 4.530 3.208 2.977 3.550     .  0 0 "[    .    1    .    2]" 1 
        863 1  58 ALA MB   1  59 PHE H    . . 3.430 3.082 2.863 3.281     .  0 0 "[    .    1    .    2]" 1 
        864 1  58 ALA MB   1  59 PHE HA   . . 5.270 3.930 3.800 4.006     .  0 0 "[    .    1    .    2]" 1 
        865 1  58 ALA MB   1  59 PHE QD   . . 5.320 4.448 4.270 4.700     .  0 0 "[    .    1    .    2]" 1 
        866 1  59 PHE H    1  59 PHE QD   . . 3.800 2.525 2.336 2.750     .  0 0 "[    .    1    .    2]" 1 
        867 1  59 PHE H    1  59 PHE QE   . . 5.350 4.348 4.202 4.508     .  0 0 "[    .    1    .    2]" 1 
        868 1  59 PHE HA   1  60 VAL H    . . 3.160 2.537 2.441 2.628     .  0 0 "[    .    1    .    2]" 1 
        869 1  59 PHE QB   1  60 VAL H    . . 3.260 2.250 2.092 2.415     .  0 0 "[    .    1    .    2]" 1 
        870 1  59 PHE QB   1  66 VAL MG1  . . 4.570 4.570 4.382 4.622 0.052  2 0 "[    .    1    .    2]" 1 
        871 1  59 PHE HB2  1  60 VAL H    . . 3.950 2.269 2.105 2.441     .  0 0 "[    .    1    .    2]" 1 
        872 1  59 PHE HB2  1  66 VAL MG1  . . 5.320 5.035 4.756 5.171     .  0 0 "[    .    1    .    2]" 1 
        873 1  59 PHE HB3  1  60 VAL H    . . 3.950 3.734 3.622 3.849     .  0 0 "[    .    1    .    2]" 1 
        874 1  59 PHE HB3  1  66 VAL MG1  . . 5.320 5.243 5.119 5.332 0.012  4 0 "[    .    1    .    2]" 1 
        875 1  59 PHE QD   1  60 VAL H    . . 4.250 2.923 2.637 3.186     .  0 0 "[    .    1    .    2]" 1 
        876 1  59 PHE QD   1  61 LEU HA   . . 4.500 4.064 3.795 4.265     .  0 0 "[    .    1    .    2]" 1 
        877 1  59 PHE QD   1  66 VAL MG1  . . 3.860 3.785 3.538 3.878 0.018 19 0 "[    .    1    .    2]" 1 
        878 1  59 PHE QD   1  70 TRP HZ3  . . 5.500 5.269 4.569 5.516 0.016 10 0 "[    .    1    .    2]" 1 
        879 1  59 PHE QD   1  74 VAL QG   . . 4.720 4.044 3.938 4.187     .  0 0 "[    .    1    .    2]" 1 
        880 1  59 PHE QE   1  61 LEU HA   . . 4.880 3.014 2.638 3.317     .  0 0 "[    .    1    .    2]" 1 
        881 1  59 PHE QE   1  61 LEU QD   . . 4.560 3.413 2.972 3.769     .  0 0 "[    .    1    .    2]" 1 
        882 1  59 PHE QE   1  70 TRP HE3  . . 4.960 4.377 3.931 4.648     .  0 0 "[    .    1    .    2]" 1 
        883 1  59 PHE QE   1  74 VAL HB   . . 4.270 4.162 3.640 4.342 0.072 11 0 "[    .    1    .    2]" 1 
        884 1  59 PHE QE   1  74 VAL MG1  . . 3.980 2.920 2.711 3.250     .  0 0 "[    .    1    .    2]" 1 
        885 1  59 PHE QE   1  74 VAL QG   . . 3.410 2.590 2.425 2.776     .  0 0 "[    .    1    .    2]" 1 
        886 1  59 PHE QE   1  74 VAL MG2  . . 3.980 2.929 2.554 3.083     .  0 0 "[    .    1    .    2]" 1 
        887 1  59 PHE HZ   1  61 LEU HA   . . 4.240 4.099 3.710 4.246 0.006  7 0 "[    .    1    .    2]" 1 
        888 1  59 PHE HZ   1  61 LEU QD   . . 4.100 3.523 3.025 3.845     .  0 0 "[    .    1    .    2]" 1 
        889 1  59 PHE HZ   1  66 VAL MG2  . . 4.050 3.935 3.096 4.072 0.022 16 0 "[    .    1    .    2]" 1 
        890 1  60 VAL H    1  60 VAL HB   . . 3.280 2.593 2.443 2.836     .  0 0 "[    .    1    .    2]" 1 
        891 1  60 VAL H    1  60 VAL MG1  . . 4.080 3.238 1.919 3.807     .  0 0 "[    .    1    .    2]" 1 
        892 1  60 VAL H    1  60 VAL QG   . . 3.120 2.301 1.914 2.576     .  0 0 "[    .    1    .    2]" 1 
        893 1  60 VAL H    1  60 VAL MG2  . . 4.080 2.883 2.344 3.834     .  0 0 "[    .    1    .    2]" 1 
        894 1  60 VAL HA   1  60 VAL MG1  . . 3.440 2.584 2.257 3.204     .  0 0 "[    .    1    .    2]" 1 
        895 1  60 VAL HA   1  60 VAL QG   . . 2.980 2.136 2.042 2.316     .  0 0 "[    .    1    .    2]" 1 
        896 1  60 VAL HA   1  60 VAL MG2  . . 3.440 2.343 2.240 2.389     .  0 0 "[    .    1    .    2]" 1 
        897 1  60 VAL HA   1  61 LEU H    . . 3.110 2.162 2.141 2.198     .  0 0 "[    .    1    .    2]" 1 
        898 1  60 VAL HB   1  63 GLY QA   . . 4.910 4.239 3.241 4.928 0.018 18 0 "[    .    1    .    2]" 1 
        899 1  60 VAL QG   1  61 LEU H    . . 3.410 2.444 2.072 2.736     .  0 0 "[    .    1    .    2]" 1 
        900 1  60 VAL QG   1  61 LEU HA   . . 4.430 3.950 3.699 4.162     .  0 0 "[    .    1    .    2]" 1 
        901 1  60 VAL QG   1  63 GLY H    . . 4.110 3.558 2.656 4.114 0.004  2 0 "[    .    1    .    2]" 1 
        902 1  60 VAL QG   1  63 GLY QA   . . 3.680 3.043 2.125 3.733 0.053 13 0 "[    .    1    .    2]" 1 
        903 1  60 VAL MG1  1  61 LEU H    . . 4.210 2.898 2.079 3.961     .  0 0 "[    .    1    .    2]" 1 
        904 1  60 VAL MG2  1  61 LEU H    . . 4.210 3.548 2.189 4.120     .  0 0 "[    .    1    .    2]" 1 
        905 1  61 LEU H    1  61 LEU HB2  . . 3.430 2.612 2.474 2.845     .  0 0 "[    .    1    .    2]" 1 
        906 1  61 LEU H    1  61 LEU HB3  . . 3.460 2.434 2.271 2.558     .  0 0 "[    .    1    .    2]" 1 
        907 1  61 LEU H    1  61 LEU QD   . . 4.430 3.671 3.614 3.734     .  0 0 "[    .    1    .    2]" 1 
        908 1  61 LEU H    1  61 LEU HG   . . 4.470 4.438 4.269 4.525 0.055 20 0 "[    .    1    .    2]" 1 
        909 1  61 LEU H    1  63 GLY H    . . 5.440 5.033 4.555 5.449 0.009  3 0 "[    .    1    .    2]" 1 
        910 1  61 LEU HA   1  61 LEU MD1  . . 4.190 1.988 1.933 2.080     .  0 0 "[    .    1    .    2]" 1 
        911 1  61 LEU HA   1  61 LEU QD   . . 3.430 1.982 1.928 2.072     .  0 0 "[    .    1    .    2]" 1 
        912 1  61 LEU HA   1  61 LEU MD2  . . 4.190 3.842 3.786 3.928     .  0 0 "[    .    1    .    2]" 1 
        913 1  61 LEU HA   1  61 LEU HG   . . 4.190 3.303 3.162 3.394     .  0 0 "[    .    1    .    2]" 1 
        914 1  61 LEU HA   1  62 GLY H    . . 3.230 2.209 2.144 2.293     .  0 0 "[    .    1    .    2]" 1 
        915 1  61 LEU HA   1  62 GLY QA   . . 5.130 3.962 3.906 4.006     .  0 0 "[    .    1    .    2]" 1 
        916 1  61 LEU HA   1  74 VAL QG   . . 3.660 3.013 2.454 3.386     .  0 0 "[    .    1    .    2]" 1 
        917 1  61 LEU HB2  1  74 VAL QG   . . 3.830 2.803 2.178 3.173     .  0 0 "[    .    1    .    2]" 1 
        918 1  61 LEU HB3  1  61 LEU QD   . . 2.870 2.266 2.172 2.333     .  0 0 "[    .    1    .    2]" 1 
        919 1  61 LEU HB3  1  62 GLY QA   . . 5.190 4.476 4.246 4.737     .  0 0 "[    .    1    .    2]" 1 
        920 1  61 LEU HB3  1  74 VAL QG   . . 4.420 4.110 3.630 4.433 0.013 15 0 "[    .    1    .    2]" 1 
        921 1  61 LEU QD   1  62 GLY H    . . 3.450 2.021 1.876 2.479     .  0 0 "[    .    1    .    2]" 1 
        922 1  61 LEU QD   1  62 GLY QA   . . 4.070 3.113 2.842 3.327     .  0 0 "[    .    1    .    2]" 1 
        923 1  61 LEU QD   1  74 VAL H    . . 4.310 3.899 3.631 4.143     .  0 0 "[    .    1    .    2]" 1 
        924 1  61 LEU QD   1  74 VAL HA   . . 5.440 3.665 3.559 3.832     .  0 0 "[    .    1    .    2]" 1 
        925 1  61 LEU QD   1  74 VAL HB   . . 3.760 2.408 1.891 3.771 0.011 19 0 "[    .    1    .    2]" 1 
        926 1  61 LEU QD   1  75 GLN H    . . 3.470 2.839 2.700 3.008     .  0 0 "[    .    1    .    2]" 1 
        927 1  61 LEU QD   1  75 GLN HA   . . 3.080 1.848 1.747 2.064     .  0 0 "[    .    1    .    2]" 1 
        928 1  61 LEU QD   1  75 GLN QE   . . 5.270 3.433 2.407 4.558     .  0 0 "[    .    1    .    2]" 1 
        929 1  61 LEU QD   1  75 GLN QG   . . 3.930 3.036 1.662 3.687     .  0 0 "[    .    1    .    2]" 1 
        930 1  61 LEU QD   1  76 GLY H    . . 4.110 3.783 3.294 4.083     .  0 0 "[    .    1    .    2]" 1 
        931 1  61 LEU QD   1  77 MET H    . . 5.440 4.773 4.482 4.976     .  0 0 "[    .    1    .    2]" 1 
        932 1  61 LEU MD1  1  62 GLY H    . . 4.800 2.025 1.879 2.488     .  0 0 "[    .    1    .    2]" 1 
        933 1  61 LEU MD1  1  75 GLN H    . . 4.100 2.932 2.766 3.093     .  0 0 "[    .    1    .    2]" 1 
        934 1  61 LEU MD1  1  75 GLN HA   . . 3.900 2.552 2.038 3.044     .  0 0 "[    .    1    .    2]" 1 
        935 1  61 LEU MD1  1  76 GLY H    . . 4.920 4.366 4.073 4.710     .  0 0 "[    .    1    .    2]" 1 
        936 1  61 LEU MD2  1  62 GLY H    . . 4.800 4.279 3.973 4.749     .  0 0 "[    .    1    .    2]" 1 
        937 1  61 LEU MD2  1  75 GLN H    . . 4.100 3.837 3.472 4.127 0.027 19 0 "[    .    1    .    2]" 1 
        938 1  61 LEU MD2  1  75 GLN HA   . . 3.900 1.918 1.872 2.204     .  0 0 "[    .    1    .    2]" 1 
        939 1  61 LEU MD2  1  76 GLY H    . . 4.920 4.164 3.480 4.476     .  0 0 "[    .    1    .    2]" 1 
        940 1  61 LEU HG   1  62 GLY H    . . 4.410 3.016 2.435 3.662     .  0 0 "[    .    1    .    2]" 1 
        941 1  62 GLY H    1  63 GLY H    . . 3.570 2.682 2.307 3.551     .  0 0 "[    .    1    .    2]" 1 
        942 1  62 GLY H    1  71 ASP HA   . . 4.390 4.184 3.769 4.400 0.010  6 0 "[    .    1    .    2]" 1 
        943 1  62 GLY QA   1  71 ASP QB   . . 4.370 4.163 3.453 4.393 0.023 11 0 "[    .    1    .    2]" 1 
        944 1  63 GLY H    1  64 GLY H    . . 3.790 2.836 1.920 3.838 0.048 13 0 "[    .    1    .    2]" 1 
        945 1  64 GLY H    1  65 MET H    . . 3.660 2.782 1.899 3.693 0.033 16 0 "[    .    1    .    2]" 1 
        946 1  64 GLY QA   1  66 VAL H    . . 4.360 3.983 3.400 4.398 0.038 17 0 "[    .    1    .    2]" 1 
        947 1  65 MET H    1  65 MET QB   . . 3.430 2.719 2.174 3.197     .  0 0 "[    .    1    .    2]" 1 
        948 1  65 MET H    1  65 MET HG2  . . 4.730 4.331 3.337 4.758 0.028  7 0 "[    .    1    .    2]" 1 
        949 1  65 MET H    1  65 MET QG   . . 4.030 3.552 2.092 4.151 0.121 17 0 "[    .    1    .    2]" 1 
        950 1  65 MET H    1  65 MET HG3  . . 4.730 3.833 2.114 4.703     .  0 0 "[    .    1    .    2]" 1 
        951 1  65 MET H    1  66 VAL H    . . 3.290 2.651 1.899 3.106     .  0 0 "[    .    1    .    2]" 1 
        952 1  65 MET H    1  66 VAL MG1  . . 4.860 3.128 2.450 3.953     .  0 0 "[    .    1    .    2]" 1 
        953 1  65 MET H    1  66 VAL MG2  . . 4.290 3.735 2.987 4.277     .  0 0 "[    .    1    .    2]" 1 
        954 1  65 MET QB   1  66 VAL H    . . 4.240 3.649 2.821 4.047     .  0 0 "[    .    1    .    2]" 1 
        955 1  65 MET QB   1  66 VAL MG1  . . 4.160 3.486 2.746 4.101     .  0 0 "[    .    1    .    2]" 1 
        956 1  65 MET HB2  1  66 VAL MG1  . . 4.790 4.194 2.935 4.884 0.094 17 0 "[    .    1    .    2]" 1 
        957 1  65 MET HB3  1  66 VAL MG1  . . 4.790 3.947 2.785 4.788     .  0 0 "[    .    1    .    2]" 1 
        958 1  66 VAL H    1  66 VAL MG1  . . 3.540 2.616 2.269 2.900     .  0 0 "[    .    1    .    2]" 1 
        959 1  66 VAL H    1  66 VAL MG2  . . 3.100 2.146 2.022 2.340     .  0 0 "[    .    1    .    2]" 1 
        960 1  66 VAL HA   1  66 VAL MG1  . . 3.390 2.438 2.384 2.476     .  0 0 "[    .    1    .    2]" 1 
        961 1  66 VAL HA   1  67 ILE H    . . 3.470 2.386 2.256 2.588     .  0 0 "[    .    1    .    2]" 1 
        962 1  66 VAL HA   1  67 ILE MG   . . 4.820 3.819 3.500 4.081     .  0 0 "[    .    1    .    2]" 1 
        963 1  66 VAL HB   1  67 ILE H    . . 3.240 2.491 2.081 2.790     .  0 0 "[    .    1    .    2]" 1 
        964 1  66 VAL HB   1  67 ILE MG   . . 4.910 4.507 3.897 4.872     .  0 0 "[    .    1    .    2]" 1 
        965 1  66 VAL HB   1  70 TRP HB2  . . 4.410 2.261 2.144 2.349     .  0 0 "[    .    1    .    2]" 1 
        966 1  66 VAL HB   1  70 TRP HB3  . . 4.410 2.279 2.137 2.477     .  0 0 "[    .    1    .    2]" 1 
        967 1  66 VAL HB   1  70 TRP HE3  . . 4.190 2.543 2.192 2.973     .  0 0 "[    .    1    .    2]" 1 
        968 1  66 VAL HB   1  71 ASP H    . . 4.940 4.058 3.782 4.307     .  0 0 "[    .    1    .    2]" 1 
        969 1  66 VAL MG1  1  70 TRP HB2  . . 4.180 3.832 3.610 3.979     .  0 0 "[    .    1    .    2]" 1 
        970 1  66 VAL MG1  1  70 TRP QB   . . 3.550 2.967 2.804 3.071     .  0 0 "[    .    1    .    2]" 1 
        971 1  66 VAL MG1  1  70 TRP HB3  . . 4.180 3.090 2.917 3.204     .  0 0 "[    .    1    .    2]" 1 
        972 1  66 VAL MG1  1  70 TRP HE3  . . 3.790 2.000 1.926 2.094     .  0 0 "[    .    1    .    2]" 1 
        973 1  66 VAL MG2  1  67 ILE H    . . 3.910 3.283 2.837 3.576     .  0 0 "[    .    1    .    2]" 1 
        974 1  66 VAL MG2  1  68 LYS HA   . . 4.450 4.423 4.387 4.451 0.001  8 0 "[    .    1    .    2]" 1 
        975 1  66 VAL MG2  1  70 TRP HA   . . 4.690 4.161 4.042 4.346     .  0 0 "[    .    1    .    2]" 1 
        976 1  66 VAL MG2  1  70 TRP HB2  . . 3.710 2.293 1.968 2.555     .  0 0 "[    .    1    .    2]" 1 
        977 1  66 VAL MG2  1  70 TRP QB   . . 3.240 1.994 1.821 2.231     .  0 0 "[    .    1    .    2]" 1 
        978 1  66 VAL MG2  1  70 TRP HB3  . . 3.710 2.208 1.934 2.460     .  0 0 "[    .    1    .    2]" 1 
        979 1  66 VAL MG2  1  70 TRP HE3  . . 3.820 3.139 2.849 3.403     .  0 0 "[    .    1    .    2]" 1 
        980 1  66 VAL MG2  1  71 ASP H    . . 3.480 2.202 1.984 2.408     .  0 0 "[    .    1    .    2]" 1 
        981 1  66 VAL MG2  1  71 ASP HA   . . 4.550 2.909 2.746 3.153     .  0 0 "[    .    1    .    2]" 1 
        982 1  66 VAL MG2  1  71 ASP QB   . . 4.790 2.680 2.204 3.310     .  0 0 "[    .    1    .    2]" 1 
        983 1  66 VAL MG2  1  73 GLY H    . . 5.500 5.473 5.250 5.560 0.060 17 0 "[    .    1    .    2]" 1 
        984 1  67 ILE H    1  67 ILE MD   . . 3.830 3.676 3.544 3.751     .  0 0 "[    .    1    .    2]" 1 
        985 1  67 ILE H    1  67 ILE HG12 . . 4.060 2.164 2.004 2.476     .  0 0 "[    .    1    .    2]" 1 
        986 1  67 ILE H    1  67 ILE QG   . . 3.490 2.058 1.957 2.152     .  0 0 "[    .    1    .    2]" 1 
        987 1  67 ILE H    1  67 ILE HG13 . . 4.060 2.789 2.219 3.485     .  0 0 "[    .    1    .    2]" 1 
        988 1  67 ILE H    1  67 ILE MG   . . 3.290 2.421 2.108 2.581     .  0 0 "[    .    1    .    2]" 1 
        989 1  67 ILE H    1  70 TRP QB   . . 4.610 2.665 2.323 2.916     .  0 0 "[    .    1    .    2]" 1 
        990 1  67 ILE HA   1  67 ILE MD   . . 4.350 4.147 4.041 4.183     .  0 0 "[    .    1    .    2]" 1 
        991 1  67 ILE HA   1  67 ILE QG   . . 3.710 3.296 3.287 3.305     .  0 0 "[    .    1    .    2]" 1 
        992 1  67 ILE HA   1  67 ILE MG   . . 3.280 2.274 2.127 2.407     .  0 0 "[    .    1    .    2]" 1 
        993 1  67 ILE HA   1  68 LYS H    . . 3.130 2.348 2.315 2.400     .  0 0 "[    .    1    .    2]" 1 
        994 1  67 ILE HA   1  68 LYS HG2  . . 5.500 4.903 3.805 5.509 0.009  1 0 "[    .    1    .    2]" 1 
        995 1  67 ILE HA   1  68 LYS HG3  . . 5.500 4.576 3.948 5.421     .  0 0 "[    .    1    .    2]" 1 
        996 1  67 ILE HB   1  67 ILE MD   . . 3.550 2.272 2.017 2.502     .  0 0 "[    .    1    .    2]" 1 
        997 1  67 ILE HB   1  68 LYS H    . . 3.690 2.527 2.421 2.608     .  0 0 "[    .    1    .    2]" 1 
        998 1  67 ILE HB   1  68 LYS QG   . . 5.340 4.480 3.964 4.875     .  0 0 "[    .    1    .    2]" 1 
        999 1  67 ILE HB   1  69 GLY H    . . 4.290 3.062 2.897 3.353     .  0 0 "[    .    1    .    2]" 1 
       1000 1  67 ILE HB   1  91 LEU HB3  . . 5.500 5.055 4.787 5.309     .  0 0 "[    .    1    .    2]" 1 
       1001 1  67 ILE HB   1  92 GLY HA2  . . 4.130 2.074 1.984 2.302     .  0 0 "[    .    1    .    2]" 1 
       1002 1  67 ILE HB   1  92 GLY QA   . . 3.600 2.061 1.971 2.288     .  0 0 "[    .    1    .    2]" 1 
       1003 1  67 ILE HB   1  92 GLY HA3  . . 4.130 3.573 3.369 3.956     .  0 0 "[    .    1    .    2]" 1 
       1004 1  67 ILE MD   1  67 ILE MG   . . 3.050 2.267 1.907 2.672     .  0 0 "[    .    1    .    2]" 1 
       1005 1  67 ILE MD   1  68 LYS H    . . 4.790 4.220 3.783 4.442     .  0 0 "[    .    1    .    2]" 1 
       1006 1  67 ILE MD   1  69 GLY H    . . 4.370 3.132 2.480 3.476     .  0 0 "[    .    1    .    2]" 1 
       1007 1  67 ILE MD   1  70 TRP H    . . 3.820 2.800 2.183 3.322     .  0 0 "[    .    1    .    2]" 1 
       1008 1  67 ILE MD   1  70 TRP HA   . . 5.050 4.187 3.779 4.730     .  0 0 "[    .    1    .    2]" 1 
       1009 1  67 ILE MD   1  70 TRP HD1  . . 3.400 2.044 1.934 2.222     .  0 0 "[    .    1    .    2]" 1 
       1010 1  67 ILE MD   1  87 ILE MD   . . 3.060 2.059 1.888 2.512     .  0 0 "[    .    1    .    2]" 1 
       1011 1  67 ILE MD   1  87 ILE QG   . . 4.660 3.424 3.176 3.784     .  0 0 "[    .    1    .    2]" 1 
       1012 1  67 ILE MD   1  87 ILE MG   . . 3.460 1.930 1.764 2.568     .  0 0 "[    .    1    .    2]" 1 
       1013 1  67 ILE MD   1  92 GLY H    . . 5.000 4.407 4.134 4.749     .  0 0 "[    .    1    .    2]" 1 
       1014 1  67 ILE MD   1  92 GLY HA2  . . 4.130 2.282 1.963 2.591     .  0 0 "[    .    1    .    2]" 1 
       1015 1  67 ILE MD   1  92 GLY QA   . . 3.460 2.066 1.863 2.297     .  0 0 "[    .    1    .    2]" 1 
       1016 1  67 ILE MD   1  92 GLY HA3  . . 4.130 2.435 1.975 2.876     .  0 0 "[    .    1    .    2]" 1 
       1017 1  67 ILE MD   1  93 TYR QD   . . 5.220 4.108 3.522 4.822     .  0 0 "[    .    1    .    2]" 1 
       1018 1  67 ILE MD   1  93 TYR QE   . . 4.990 4.401 3.897 4.974     .  0 0 "[    .    1    .    2]" 1 
       1019 1  67 ILE MD   1 108 LEU MD1  . . 4.220 4.081 3.887 4.253 0.033 19 0 "[    .    1    .    2]" 1 
       1020 1  67 ILE MD   1 110 PHE HB2  . . 5.500 4.827 4.064 5.180     .  0 0 "[    .    1    .    2]" 1 
       1021 1  67 ILE MD   1 110 PHE QD   . . 4.800 4.225 3.520 4.647     .  0 0 "[    .    1    .    2]" 1 
       1022 1  67 ILE MD   1 110 PHE QE   . . 4.680 4.149 3.247 4.688 0.008  7 0 "[    .    1    .    2]" 1 
       1023 1  67 ILE QG   1  69 GLY H    . . 4.240 3.163 2.245 3.584     .  0 0 "[    .    1    .    2]" 1 
       1024 1  67 ILE QG   1  70 TRP H    . . 3.550 1.904 1.843 1.931     .  0 0 "[    .    1    .    2]" 1 
       1025 1  67 ILE QG   1  70 TRP HD1  . . 3.980 2.373 2.103 2.622     .  0 0 "[    .    1    .    2]" 1 
       1026 1  67 ILE MG   1  68 LYS H    . . 3.910 3.616 3.482 3.833     .  0 0 "[    .    1    .    2]" 1 
       1027 1  67 ILE MG   1  69 GLY H    . . 5.300 4.554 4.478 4.657     .  0 0 "[    .    1    .    2]" 1 
       1028 1  67 ILE MG   1  70 TRP H    . . 5.310 4.508 4.371 4.577     .  0 0 "[    .    1    .    2]" 1 
       1029 1  67 ILE MG   1  70 TRP QB   . . 5.340 4.180 3.882 4.288     .  0 0 "[    .    1    .    2]" 1 
       1030 1  67 ILE MG   1  87 ILE MD   . . 5.170 4.809 4.512 5.221 0.051  3 0 "[    .    1    .    2]" 1 
       1031 1  67 ILE MG   1  87 ILE MG   . . 4.770 4.206 3.982 4.617     .  0 0 "[    .    1    .    2]" 1 
       1032 1  67 ILE MG   1  92 GLY H    . . 5.250 4.871 4.368 5.267 0.017  7 0 "[    .    1    .    2]" 1 
       1033 1  67 ILE MG   1  92 GLY HA2  . . 4.350 2.490 1.997 2.849     .  0 0 "[    .    1    .    2]" 1 
       1034 1  67 ILE MG   1  92 GLY QA   . . 3.520 2.429 1.977 2.724     .  0 0 "[    .    1    .    2]" 1 
       1035 1  67 ILE MG   1  92 GLY HA3  . . 4.350 3.427 3.167 3.771     .  0 0 "[    .    1    .    2]" 1 
       1036 1  67 ILE MG   1  93 TYR H    . . 5.500 4.183 3.904 4.610     .  0 0 "[    .    1    .    2]" 1 
       1037 1  67 ILE MG   1  93 TYR HA   . . 5.220 4.020 3.646 4.411     .  0 0 "[    .    1    .    2]" 1 
       1038 1  67 ILE MG   1  93 TYR QD   . . 4.330 3.421 3.207 4.023     .  0 0 "[    .    1    .    2]" 1 
       1039 1  67 ILE MG   1  93 TYR QE   . . 3.960 3.872 3.426 3.983 0.023 16 0 "[    .    1    .    2]" 1 
       1040 1  68 LYS H    1  68 LYS HB2  . . 3.930 2.472 2.255 2.715     .  0 0 "[    .    1    .    2]" 1 
       1041 1  68 LYS H    1  68 LYS QB   . . 3.150 2.427 2.230 2.638     .  0 0 "[    .    1    .    2]" 1 
       1042 1  68 LYS H    1  68 LYS HB3  . . 3.930 3.577 3.535 3.597     .  0 0 "[    .    1    .    2]" 1 
       1043 1  68 LYS H    1  68 LYS QD   . . 4.580 4.065 3.653 4.440     .  0 0 "[    .    1    .    2]" 1 
       1044 1  68 LYS H    1  68 LYS HG2  . . 4.110 3.055 1.955 3.614     .  0 0 "[    .    1    .    2]" 1 
       1045 1  68 LYS H    1  68 LYS QG   . . 3.600 2.326 1.937 2.713     .  0 0 "[    .    1    .    2]" 1 
       1046 1  68 LYS H    1  68 LYS HG3  . . 4.110 2.594 2.036 3.315     .  0 0 "[    .    1    .    2]" 1 
       1047 1  68 LYS H    1  69 GLY H    . . 4.120 2.972 2.952 2.985     .  0 0 "[    .    1    .    2]" 1 
       1048 1  68 LYS HA   1  68 LYS QD   . . 4.380 3.711 2.452 4.151     .  0 0 "[    .    1    .    2]" 1 
       1049 1  68 LYS HA   1  68 LYS QG   . . 3.150 2.357 2.164 2.712     .  0 0 "[    .    1    .    2]" 1 
       1050 1  68 LYS HA   1  71 ASP H    . . 3.880 3.617 3.509 3.717     .  0 0 "[    .    1    .    2]" 1 
       1051 1  68 LYS HA   1  71 ASP HB2  . . 4.380 3.452 2.797 4.256     .  0 0 "[    .    1    .    2]" 1 
       1052 1  68 LYS HA   1  71 ASP QB   . . 3.590 2.883 2.764 3.096     .  0 0 "[    .    1    .    2]" 1 
       1053 1  68 LYS HA   1  71 ASP HB3  . . 4.380 3.533 2.861 4.396 0.016 12 0 "[    .    1    .    2]" 1 
       1054 1  68 LYS HA   1  72 GLU H    . . 4.890 3.979 3.775 4.115     .  0 0 "[    .    1    .    2]" 1 
       1055 1  68 LYS QB   1  69 GLY H    . . 3.620 2.393 2.303 2.482     .  0 0 "[    .    1    .    2]" 1 
       1056 1  68 LYS QB   1  69 GLY QA   . . 4.370 3.532 3.511 3.547     .  0 0 "[    .    1    .    2]" 1 
       1057 1  68 LYS QB   1  91 LEU QD   . . 3.110 2.326 1.819 2.905     .  0 0 "[    .    1    .    2]" 1 
       1058 1  68 LYS HB2  1  69 GLY H    . . 4.260 2.465 2.333 2.620     .  0 0 "[    .    1    .    2]" 1 
       1059 1  68 LYS HB3  1  69 GLY H    . . 4.260 3.312 3.035 3.551     .  0 0 "[    .    1    .    2]" 1 
       1060 1  68 LYS QD   1  91 LEU QD   . . 3.670 2.899 1.889 3.581     .  0 0 "[    .    1    .    2]" 1 
       1061 1  68 LYS QE   1  68 LYS QG   . . 3.340 2.203 2.022 2.499     .  0 0 "[    .    1    .    2]" 1 
       1062 1  68 LYS QE   1  91 LEU QD   . . 4.160 3.428 2.209 4.167 0.007 10 0 "[    .    1    .    2]" 1 
       1063 1  68 LYS QG   1  91 LEU HA   . . 4.570 3.738 3.131 4.215     .  0 0 "[    .    1    .    2]" 1 
       1064 1  69 GLY H    1  70 TRP H    . . 4.050 2.826 2.791 2.850     .  0 0 "[    .    1    .    2]" 1 
       1065 1  69 GLY H    1  87 ILE MD   . . 4.740 4.248 3.634 4.631     .  0 0 "[    .    1    .    2]" 1 
       1066 1  69 GLY H    1  87 ILE MG   . . 3.850 2.883 2.644 3.131     .  0 0 "[    .    1    .    2]" 1 
       1067 1  69 GLY H    1  91 LEU HA   . . 4.510 4.247 4.010 4.397     .  0 0 "[    .    1    .    2]" 1 
       1068 1  69 GLY H    1  91 LEU HB2  . . 4.610 4.304 3.684 4.483     .  0 0 "[    .    1    .    2]" 1 
       1069 1  69 GLY H    1  91 LEU HB3  . . 4.620 2.776 2.560 2.903     .  0 0 "[    .    1    .    2]" 1 
       1070 1  69 GLY H    1  91 LEU QD   . . 4.190 3.668 3.178 3.927     .  0 0 "[    .    1    .    2]" 1 
       1071 1  69 GLY QA   1  70 TRP HA   . . 4.720 4.022 4.016 4.026     .  0 0 "[    .    1    .    2]" 1 
       1072 1  69 GLY QA   1  72 GLU H    . . 4.650 3.643 3.542 3.761     .  0 0 "[    .    1    .    2]" 1 
       1073 1  69 GLY QA   1  72 GLU QB   . . 4.940 2.792 2.669 2.898     .  0 0 "[    .    1    .    2]" 1 
       1074 1  69 GLY QA   1  87 ILE MD   . . 3.650 2.633 1.963 3.058     .  0 0 "[    .    1    .    2]" 1 
       1075 1  69 GLY QA   1  87 ILE MG   . . 3.060 1.928 1.880 2.062     .  0 0 "[    .    1    .    2]" 1 
       1076 1  69 GLY QA   1  91 LEU HB2  . . 4.260 4.090 3.562 4.298 0.038  3 0 "[    .    1    .    2]" 1 
       1077 1  69 GLY QA   1  91 LEU HB3  . . 3.990 3.090 2.795 3.278     .  0 0 "[    .    1    .    2]" 1 
       1078 1  69 GLY QA   1  91 LEU QD   . . 4.760 3.350 2.783 4.026     .  0 0 "[    .    1    .    2]" 1 
       1079 1  69 GLY QA   1  91 LEU HG   . . 5.340 4.717 3.876 5.367 0.027 14 0 "[    .    1    .    2]" 1 
       1080 1  69 GLY HA2  1  87 ILE MD   . . 4.380 3.839 3.313 4.244     .  0 0 "[    .    1    .    2]" 1 
       1081 1  69 GLY HA2  1  87 ILE MG   . . 3.730 3.254 2.977 3.425     .  0 0 "[    .    1    .    2]" 1 
       1082 1  69 GLY HA2  1  91 LEU HB3  . . 4.550 3.456 3.231 3.651     .  0 0 "[    .    1    .    2]" 1 
       1083 1  69 GLY HA3  1  87 ILE MD   . . 4.380 2.685 1.977 3.137     .  0 0 "[    .    1    .    2]" 1 
       1084 1  69 GLY HA3  1  87 ILE MG   . . 3.730 1.943 1.894 2.081     .  0 0 "[    .    1    .    2]" 1 
       1085 1  69 GLY HA3  1  91 LEU HB3  . . 4.550 3.485 3.058 3.731     .  0 0 "[    .    1    .    2]" 1 
       1086 1  70 TRP H    1  70 TRP HB2  . . 3.880 2.172 2.132 2.232     .  0 0 "[    .    1    .    2]" 1 
       1087 1  70 TRP H    1  70 TRP QB   . . 3.300 2.151 2.113 2.209     .  0 0 "[    .    1    .    2]" 1 
       1088 1  70 TRP H    1  70 TRP HB3  . . 3.880 3.482 3.445 3.524     .  0 0 "[    .    1    .    2]" 1 
       1089 1  70 TRP H    1  70 TRP HD1  . . 4.460 2.766 2.534 2.949     .  0 0 "[    .    1    .    2]" 1 
       1090 1  70 TRP H    1  71 ASP H    . . 3.270 2.754 2.687 2.829     .  0 0 "[    .    1    .    2]" 1 
       1091 1  70 TRP H    1  87 ILE MD   . . 4.560 3.175 2.736 3.546     .  0 0 "[    .    1    .    2]" 1 
       1092 1  70 TRP H    1  87 ILE QG   . . 4.970 4.168 3.836 4.549     .  0 0 "[    .    1    .    2]" 1 
       1093 1  70 TRP HA   1  70 TRP HD1  . . 3.850 2.831 2.627 3.055     .  0 0 "[    .    1    .    2]" 1 
       1094 1  70 TRP HA   1  70 TRP HE3  . . 5.020 4.524 4.312 4.715     .  0 0 "[    .    1    .    2]" 1 
       1095 1  70 TRP HA   1  73 GLY H    . . 4.100 3.500 3.406 3.581     .  0 0 "[    .    1    .    2]" 1 
       1096 1  70 TRP HA   1  73 GLY QA   . . 5.040 3.886 3.770 4.034     .  0 0 "[    .    1    .    2]" 1 
       1097 1  70 TRP HA   1  74 VAL H    . . 4.380 3.899 3.726 4.110     .  0 0 "[    .    1    .    2]" 1 
       1098 1  70 TRP HA   1  74 VAL QG   . . 4.130 3.550 3.343 4.138 0.008 14 0 "[    .    1    .    2]" 1 
       1099 1  70 TRP HA   1  87 ILE MD   . . 5.010 2.877 2.682 3.346     .  0 0 "[    .    1    .    2]" 1 
       1100 1  70 TRP QB   1  71 ASP H    . . 3.660 2.458 2.384 2.581     .  0 0 "[    .    1    .    2]" 1 
       1101 1  70 TRP HB2  1  70 TRP HE3  . . 4.170 3.669 3.520 3.808     .  0 0 "[    .    1    .    2]" 1 
       1102 1  70 TRP HB2  1  73 GLY H    . . 5.500 5.557 5.470 5.609 0.109 17 0 "[    .    1    .    2]" 1 
       1103 1  70 TRP HB3  1  70 TRP HE3  . . 4.170 2.432 2.400 2.490     .  0 0 "[    .    1    .    2]" 1 
       1104 1  70 TRP HB3  1  73 GLY H    . . 5.500 5.245 5.117 5.320     .  0 0 "[    .    1    .    2]" 1 
       1105 1  70 TRP HD1  1  87 ILE MD   . . 3.360 1.971 1.874 2.370     .  0 0 "[    .    1    .    2]" 1 
       1106 1  70 TRP HZ2  1 110 PHE QD   . . 4.080 3.057 2.438 3.773     .  0 0 "[    .    1    .    2]" 1 
       1107 1  70 TRP HZ2  1 110 PHE QE   . . 4.500 3.013 2.337 3.933     .  0 0 "[    .    1    .    2]" 1 
       1108 1  71 ASP H    1  71 ASP HB2  . . 3.520 2.345 2.071 2.750     .  0 0 "[    .    1    .    2]" 1 
       1109 1  71 ASP H    1  71 ASP QB   . . 2.990 2.185 2.051 2.248     .  0 0 "[    .    1    .    2]" 1 
       1110 1  71 ASP H    1  71 ASP HB3  . . 3.520 2.951 2.332 3.524 0.004 12 0 "[    .    1    .    2]" 1 
       1111 1  71 ASP H    1  72 GLU H    . . 3.570 2.789 2.710 2.846     .  0 0 "[    .    1    .    2]" 1 
       1112 1  71 ASP QB   1  72 GLU H    . . 3.540 2.570 2.415 2.689     .  0 0 "[    .    1    .    2]" 1 
       1113 1  71 ASP HB2  1  72 GLU H    . . 4.090 3.426 2.700 4.043     .  0 0 "[    .    1    .    2]" 1 
       1114 1  71 ASP HB3  1  72 GLU H    . . 4.090 2.787 2.452 3.282     .  0 0 "[    .    1    .    2]" 1 
       1115 1  72 GLU H    1  72 GLU HB2  . . 3.370 2.181 2.062 2.507     .  0 0 "[    .    1    .    2]" 1 
       1116 1  72 GLU H    1  72 GLU HB3  . . 3.370 3.026 2.546 3.314     .  0 0 "[    .    1    .    2]" 1 
       1117 1  72 GLU H    1  72 GLU HG2  . . 4.710 4.188 3.468 4.631     .  0 0 "[    .    1    .    2]" 1 
       1118 1  72 GLU H    1  72 GLU QG   . . 4.120 3.682 3.299 4.060     .  0 0 "[    .    1    .    2]" 1 
       1119 1  72 GLU H    1  72 GLU HG3  . . 4.710 4.200 3.535 4.551     .  0 0 "[    .    1    .    2]" 1 
       1120 1  72 GLU H    1  73 GLY H    . . 3.220 2.673 2.613 2.747     .  0 0 "[    .    1    .    2]" 1 
       1121 1  72 GLU HA   1  72 GLU HG2  . . 3.730 2.826 2.196 3.711     .  0 0 "[    .    1    .    2]" 1 
       1122 1  72 GLU HA   1  72 GLU QG   . . 3.210 2.427 2.126 3.055     .  0 0 "[    .    1    .    2]" 1 
       1123 1  72 GLU HA   1  72 GLU HG3  . . 3.730 3.017 2.233 3.636     .  0 0 "[    .    1    .    2]" 1 
       1124 1  72 GLU HA   1  75 GLN H    . . 4.700 3.741 3.532 3.892     .  0 0 "[    .    1    .    2]" 1 
       1125 1  72 GLU HA   1  75 GLN HE21 . . 4.090 3.336 2.153 4.096 0.006  4 0 "[    .    1    .    2]" 1 
       1126 1  72 GLU HA   1  75 GLN QE   . . 3.500 3.031 2.126 3.540 0.040  6 0 "[    .    1    .    2]" 1 
       1127 1  72 GLU HA   1  75 GLN HE22 . . 4.090 3.573 3.253 3.919     .  0 0 "[    .    1    .    2]" 1 
       1128 1  72 GLU QB   1  73 GLY H    . . 3.450 2.694 2.539 2.903     .  0 0 "[    .    1    .    2]" 1 
       1129 1  72 GLU HB2  1  73 GLY H    . . 3.970 3.471 3.138 3.876     .  0 0 "[    .    1    .    2]" 1 
       1130 1  72 GLU HB3  1  73 GLY H    . . 3.970 2.844 2.593 3.234     .  0 0 "[    .    1    .    2]" 1 
       1131 1  72 GLU QG   1  73 GLY H    . . 5.310 4.311 3.704 4.620     .  0 0 "[    .    1    .    2]" 1 
       1132 1  73 GLY H    1  74 VAL H    . . 3.750 2.588 2.489 2.724     .  0 0 "[    .    1    .    2]" 1 
       1133 1  73 GLY H    1  85 LEU MD1  . . 5.500 4.524 3.627 5.505 0.005 14 0 "[    .    1    .    2]" 1 
       1134 1  73 GLY H    1  85 LEU QD   . . 4.450 4.044 3.565 4.419     .  0 0 "[    .    1    .    2]" 1 
       1135 1  73 GLY H    1  85 LEU MD2  . . 5.500 4.978 4.074 5.523 0.023  3 0 "[    .    1    .    2]" 1 
       1136 1  73 GLY H    1  87 ILE MD   . . 4.780 4.732 4.448 4.819 0.039 18 0 "[    .    1    .    2]" 1 
       1137 1  73 GLY H    1  87 ILE QG   . . 5.500 5.114 4.883 5.506 0.006 19 0 "[    .    1    .    2]" 1 
       1138 1  73 GLY QA   1  85 LEU MD1  . . 4.090 2.528 1.740 3.358     .  0 0 "[    .    1    .    2]" 1 
       1139 1  73 GLY QA   1  85 LEU QD   . . 3.340 2.231 1.732 2.569     .  0 0 "[    .    1    .    2]" 1 
       1140 1  73 GLY QA   1  85 LEU MD2  . . 4.090 2.946 2.123 3.767     .  0 0 "[    .    1    .    2]" 1 
       1141 1  74 VAL H    1  74 VAL HB   . . 3.140 2.598 2.531 2.700     .  0 0 "[    .    1    .    2]" 1 
       1142 1  74 VAL H    1  74 VAL MG1  . . 3.830 3.456 2.182 3.776     .  0 0 "[    .    1    .    2]" 1 
       1143 1  74 VAL H    1  74 VAL QG   . . 3.090 2.172 2.030 2.249     .  0 0 "[    .    1    .    2]" 1 
       1144 1  74 VAL H    1  74 VAL MG2  . . 3.830 2.497 2.038 3.769     .  0 0 "[    .    1    .    2]" 1 
       1145 1  74 VAL H    1  75 GLN H    . . 3.180 2.579 2.447 2.725     .  0 0 "[    .    1    .    2]" 1 
       1146 1  74 VAL H    1  85 LEU QD   . . 4.690 4.544 3.918 4.732 0.042 14 0 "[    .    1    .    2]" 1 
       1147 1  74 VAL HA   1  74 VAL MG1  . . 3.500 2.532 2.294 3.190     .  0 0 "[    .    1    .    2]" 1 
       1148 1  74 VAL HA   1  74 VAL QG   . . 3.000 2.153 2.097 2.313     .  0 0 "[    .    1    .    2]" 1 
       1149 1  74 VAL HA   1  74 VAL MG2  . . 3.500 2.385 2.286 2.452     .  0 0 "[    .    1    .    2]" 1 
       1150 1  74 VAL HA   1  77 MET H    . . 3.970 3.447 3.096 3.656     .  0 0 "[    .    1    .    2]" 1 
       1151 1  74 VAL HA   1  77 MET QB   . . 4.140 3.361 2.684 3.985     .  0 0 "[    .    1    .    2]" 1 
       1152 1  74 VAL HA   1  77 MET HG2  . . 4.190 2.907 1.974 4.027     .  0 0 "[    .    1    .    2]" 1 
       1153 1  74 VAL HA   1  77 MET QG   . . 3.660 2.629 1.960 3.655     .  0 0 "[    .    1    .    2]" 1 
       1154 1  74 VAL HA   1  77 MET HG3  . . 4.190 3.534 1.992 4.191 0.001 13 0 "[    .    1    .    2]" 1 
       1155 1  74 VAL HA   1  85 LEU QD   . . 5.240 4.973 4.285 5.317 0.077 17 0 "[    .    1    .    2]" 1 
       1156 1  74 VAL HB   1  75 GLN H    . . 5.150 3.168 2.741 4.155     .  0 0 "[    .    1    .    2]" 1 
       1157 1  74 VAL QG   1  75 GLN HA   . . 4.730 3.557 3.204 3.799     .  0 0 "[    .    1    .    2]" 1 
       1158 1  74 VAL QG   1  77 MET QG   . . 4.940 3.421 2.593 4.189     .  0 0 "[    .    1    .    2]" 1 
       1159 1  74 VAL MG1  1  75 GLN H    . . 4.210 3.430 2.084 3.854     .  0 0 "[    .    1    .    2]" 1 
       1160 1  74 VAL MG2  1  75 GLN H    . . 4.210 3.870 3.770 3.949     .  0 0 "[    .    1    .    2]" 1 
       1161 1  75 GLN H    1  75 GLN HB2  . . 3.930 3.267 2.304 3.662     .  0 0 "[    .    1    .    2]" 1 
       1162 1  75 GLN H    1  75 GLN QB   . . 3.210 2.472 2.277 2.622     .  0 0 "[    .    1    .    2]" 1 
       1163 1  75 GLN H    1  75 GLN HB3  . . 3.930 2.881 2.523 3.625     .  0 0 "[    .    1    .    2]" 1 
       1164 1  75 GLN H    1  75 GLN QG   . . 3.230 2.342 2.000 2.761     .  0 0 "[    .    1    .    2]" 1 
       1165 1  75 GLN HA   1  75 GLN QG   . . 3.700 3.052 2.377 3.339     .  0 0 "[    .    1    .    2]" 1 
       1166 1  75 GLN HA   1  76 GLY H    . . 3.130 3.068 2.662 3.291 0.161  7 0 "[    .    1    .    2]" 1 
       1167 1  75 GLN HA   1  76 GLY QA   . . 5.340 4.146 3.980 4.222     .  0 0 "[    .    1    .    2]" 1 
       1168 1  75 GLN HA   1  77 MET H    . . 4.890 4.648 4.217 4.844     .  0 0 "[    .    1    .    2]" 1 
       1169 1  75 GLN QB   1  75 GLN QE   . . 3.550 2.172 1.875 3.486     .  0 0 "[    .    1    .    2]" 1 
       1170 1  75 GLN HB2  1  76 GLY H    . . 4.670 4.289 3.513 4.542     .  0 0 "[    .    1    .    2]" 1 
       1171 1  75 GLN HB3  1  76 GLY H    . . 4.670 4.402 4.178 4.633     .  0 0 "[    .    1    .    2]" 1 
       1172 1  75 GLN QE   1  75 GLN QG   . . 2.980 2.457 2.115 2.585     .  0 0 "[    .    1    .    2]" 1 
       1173 1  75 GLN QG   1  76 GLY H    . . 4.270 3.784 3.162 4.528 0.258 17 0 "[    .    1    .    2]" 1 
       1174 1  76 GLY H    1  77 MET H    . . 3.610 1.898 1.871 2.000     .  0 0 "[    .    1    .    2]" 1 
       1175 1  77 MET H    1  77 MET QB   . . 3.250 2.448 2.287 2.645     .  0 0 "[    .    1    .    2]" 1 
       1176 1  77 MET H    1  77 MET HG2  . . 3.740 2.321 1.946 3.284     .  0 0 "[    .    1    .    2]" 1 
       1177 1  77 MET H    1  77 MET QG   . . 3.240 2.214 1.871 2.585     .  0 0 "[    .    1    .    2]" 1 
       1178 1  77 MET H    1  77 MET HG3  . . 3.740 3.330 1.882 3.762 0.022 13 0 "[    .    1    .    2]" 1 
       1179 1  77 MET H    1 114 LEU QD   . . 5.340 4.654 4.069 5.356 0.016  2 0 "[    .    1    .    2]" 1 
       1180 1  77 MET HA   1  77 MET HG2  . . 4.250 3.390 2.575 4.204     .  0 0 "[    .    1    .    2]" 1 
       1181 1  77 MET HA   1  77 MET QG   . . 3.610 3.089 2.532 3.402     .  0 0 "[    .    1    .    2]" 1 
       1182 1  77 MET HA   1  77 MET HG3  . . 4.250 3.729 3.594 3.820     .  0 0 "[    .    1    .    2]" 1 
       1183 1  77 MET HA   1  78 LYS H    . . 3.380 2.341 2.246 2.442     .  0 0 "[    .    1    .    2]" 1 
       1184 1  77 MET HA   1  78 LYS HG3  . . 3.590 3.488 3.220 3.598 0.008 18 0 "[    .    1    .    2]" 1 
       1185 1  77 MET HA   1 114 LEU QD   . . 4.880 4.468 4.122 4.875     .  0 0 "[    .    1    .    2]" 1 
       1186 1  77 MET QB   1  78 LYS H    . . 3.890 2.562 2.354 2.850     .  0 0 "[    .    1    .    2]" 1 
       1187 1  77 MET QB   1 114 LEU H    . . 4.170 3.779 3.352 4.227 0.057 17 0 "[    .    1    .    2]" 1 
       1188 1  77 MET QB   1 114 LEU QB   . . 3.690 2.847 2.519 3.174     .  0 0 "[    .    1    .    2]" 1 
       1189 1  77 MET QB   1 114 LEU QD   . . 3.470 2.842 2.069 3.462     .  0 0 "[    .    1    .    2]" 1 
       1190 1  77 MET QG   1  78 LYS H    . . 5.340 3.967 3.361 4.341     .  0 0 "[    .    1    .    2]" 1 
       1191 1  77 MET QG   1 114 LEU QD   . . 5.280 2.996 1.864 4.487     .  0 0 "[    .    1    .    2]" 1 
       1192 1  78 LYS H    1  78 LYS QB   . . 3.590 2.658 2.562 2.784     .  0 0 "[    .    1    .    2]" 1 
       1193 1  78 LYS H    1  78 LYS QE   . . 5.090 4.655 2.950 5.093 0.003 15 0 "[    .    1    .    2]" 1 
       1194 1  78 LYS H    1  78 LYS HG2  . . 4.360 3.806 3.368 4.278     .  0 0 "[    .    1    .    2]" 1 
       1195 1  78 LYS H    1  78 LYS HG3  . . 4.030 2.817 2.640 2.982     .  0 0 "[    .    1    .    2]" 1 
       1196 1  78 LYS H    1 114 LEU QB   . . 5.340 3.629 3.379 4.039     .  0 0 "[    .    1    .    2]" 1 
       1197 1  78 LYS H    1 114 LEU QD   . . 4.540 3.592 3.103 4.168     .  0 0 "[    .    1    .    2]" 1 
       1198 1  78 LYS HA   1  78 LYS HG2  . . 4.070 2.650 2.507 2.953     .  0 0 "[    .    1    .    2]" 1 
       1199 1  78 LYS HA   1  78 LYS HG3  . . 3.860 3.205 2.737 3.580     .  0 0 "[    .    1    .    2]" 1 
       1200 1  78 LYS HA   1  79 VAL H    . . 3.110 2.337 2.260 2.505     .  0 0 "[    .    1    .    2]" 1 
       1201 1  78 LYS HA   1 114 LEU QD   . . 4.210 3.047 2.433 3.680     .  0 0 "[    .    1    .    2]" 1 
       1202 1  78 LYS QB   1  78 LYS QD   . . 3.110 2.134 2.004 2.308     .  0 0 "[    .    1    .    2]" 1 
       1203 1  78 LYS QB   1  79 VAL H    . . 3.780 2.576 2.207 2.753     .  0 0 "[    .    1    .    2]" 1 
       1204 1  78 LYS QE   1  78 LYS HG2  . . 3.780 2.641 2.182 3.235     .  0 0 "[    .    1    .    2]" 1 
       1205 1  78 LYS QE   1  78 LYS HG3  . . 3.600 2.399 2.040 3.301     .  0 0 "[    .    1    .    2]" 1 
       1206 1  78 LYS HG2  1  79 VAL H    . . 4.440 4.316 4.105 4.489 0.049 18 0 "[    .    1    .    2]" 1 
       1207 1  79 VAL H    1  79 VAL HB   . . 3.290 2.606 2.528 2.688     .  0 0 "[    .    1    .    2]" 1 
       1208 1  79 VAL H    1  79 VAL MG1  . . 4.000 3.763 3.756 3.767     .  0 0 "[    .    1    .    2]" 1 
       1209 1  79 VAL H    1  79 VAL MG2  . . 2.940 2.092 1.937 2.237     .  0 0 "[    .    1    .    2]" 1 
       1210 1  79 VAL H    1 114 LEU QD   . . 3.740 3.059 2.464 3.765 0.025 18 0 "[    .    1    .    2]" 1 
       1211 1  79 VAL H    1 117 VAL QG   . . 4.620 3.823 3.156 4.275     .  0 0 "[    .    1    .    2]" 1 
       1212 1  79 VAL HA   1  79 VAL MG1  . . 3.280 2.311 2.227 2.398     .  0 0 "[    .    1    .    2]" 1 
       1213 1  79 VAL HA   1  79 VAL MG2  . . 3.520 2.361 2.268 2.422     .  0 0 "[    .    1    .    2]" 1 
       1214 1  79 VAL HA   1  80 GLY H    . . 3.070 2.149 2.144 2.160     .  0 0 "[    .    1    .    2]" 1 
       1215 1  79 VAL HA   1  80 GLY QA   . . 4.200 3.919 3.908 3.933     .  0 0 "[    .    1    .    2]" 1 
       1216 1  79 VAL HA   1  81 GLY H    . . 4.030 3.405 3.346 3.457     .  0 0 "[    .    1    .    2]" 1 
       1217 1  79 VAL HA   1 114 LEU HB2  . . 4.570 3.615 3.382 4.576 0.006  3 0 "[    .    1    .    2]" 1 
       1218 1  79 VAL HA   1 114 LEU QB   . . 3.820 2.185 1.938 3.459     .  0 0 "[    .    1    .    2]" 1 
       1219 1  79 VAL HA   1 114 LEU HB3  . . 4.570 2.210 1.950 3.580     .  0 0 "[    .    1    .    2]" 1 
       1220 1  79 VAL HA   1 114 LEU MD1  . . 4.700 2.280 1.945 3.385     .  0 0 "[    .    1    .    2]" 1 
       1221 1  79 VAL HA   1 114 LEU QD   . . 3.590 1.985 1.753 2.373     .  0 0 "[    .    1    .    2]" 1 
       1222 1  79 VAL HA   1 114 LEU MD2  . . 4.700 2.766 1.936 3.759     .  0 0 "[    .    1    .    2]" 1 
       1223 1  79 VAL HA   1 114 LEU HG   . . 3.960 2.898 1.949 3.996 0.036  5 0 "[    .    1    .    2]" 1 
       1224 1  79 VAL HA   1 116 ASP HA   . . 5.500 4.062 3.662 4.507     .  0 0 "[    .    1    .    2]" 1 
       1225 1  79 VAL MG1  1  80 GLY H    . . 3.490 2.612 2.415 2.791     .  0 0 "[    .    1    .    2]" 1 
       1226 1  79 VAL MG1  1  81 GLY H    . . 4.540 4.411 4.337 4.476     .  0 0 "[    .    1    .    2]" 1 
       1227 1  79 VAL MG1  1 116 ASP QB   . . 4.250 3.696 3.368 4.271 0.021 14 0 "[    .    1    .    2]" 1 
       1228 1  79 VAL MG1  1 117 VAL H    . . 4.250 3.267 2.661 3.916     .  0 0 "[    .    1    .    2]" 1 
       1229 1  79 VAL MG2  1  80 GLY H    . . 4.220 4.067 4.007 4.145     .  0 0 "[    .    1    .    2]" 1 
       1230 1  79 VAL MG2  1 116 ASP H    . . 4.970 4.523 3.879 4.986 0.016  3 0 "[    .    1    .    2]" 1 
       1231 1  79 VAL MG2  1 116 ASP HA   . . 3.580 2.979 2.224 3.375     .  0 0 "[    .    1    .    2]" 1 
       1232 1  79 VAL MG2  1 116 ASP QB   . . 4.850 4.656 4.101 4.891 0.041  4 0 "[    .    1    .    2]" 1 
       1233 1  79 VAL MG2  1 117 VAL H    . . 3.560 2.899 2.464 3.476     .  0 0 "[    .    1    .    2]" 1 
       1234 1  79 VAL MG2  1 117 VAL HB   . . 4.100 4.010 3.807 4.237 0.137 14 0 "[    .    1    .    2]" 1 
       1235 1  79 VAL MG2  1 117 VAL MG1  . . 3.420 1.894 1.762 3.277     .  0 0 "[    .    1    .    2]" 1 
       1236 1  79 VAL MG2  1 117 VAL QG   . . 2.650 1.748 1.643 1.823     .  0 0 "[    .    1    .    2]" 1 
       1237 1  79 VAL MG2  1 117 VAL MG2  . . 3.420 2.300 1.768 2.869     .  0 0 "[    .    1    .    2]" 1 
       1238 1  80 GLY H    1  81 GLY H    . . 3.680 2.537 2.526 2.572     .  0 0 "[    .    1    .    2]" 1 
       1239 1  80 GLY H    1 114 LEU QB   . . 4.290 2.144 1.928 3.091     .  0 0 "[    .    1    .    2]" 1 
       1240 1  80 GLY H    1 114 LEU QD   . . 4.360 2.814 2.352 3.194     .  0 0 "[    .    1    .    2]" 1 
       1241 1  80 GLY H    1 114 LEU HG   . . 4.970 4.080 2.240 4.944     .  0 0 "[    .    1    .    2]" 1 
       1242 1  81 GLY H    1 114 LEU H    . . 4.740 3.600 3.424 3.930     .  0 0 "[    .    1    .    2]" 1 
       1243 1  81 GLY H    1 114 LEU QB   . . 3.930 2.522 2.186 2.842     .  0 0 "[    .    1    .    2]" 1 
       1244 1  81 GLY H    1 114 LEU QD   . . 4.600 3.841 3.391 4.239     .  0 0 "[    .    1    .    2]" 1 
       1245 1  81 GLY HA2  1  82 VAL H    . . 3.210 2.159 2.139 2.193     .  0 0 "[    .    1    .    2]" 1 
       1246 1  81 GLY HA3  1  82 VAL QG   . . 5.500 4.260 4.133 4.377     .  0 0 "[    .    1    .    2]" 1 
       1247 1  82 VAL H    1  82 VAL HB   . . 3.760 2.755 2.655 2.865     .  0 0 "[    .    1    .    2]" 1 
       1248 1  82 VAL H    1  82 VAL QG   . . 3.700 2.760 2.498 2.881     .  0 0 "[    .    1    .    2]" 1 
       1249 1  82 VAL HA   1  82 VAL QG   . . 3.170 2.041 2.002 2.069     .  0 0 "[    .    1    .    2]" 1 
       1250 1  82 VAL HA   1  83 ARG H    . . 3.200 2.144 2.140 2.164     .  0 0 "[    .    1    .    2]" 1 
       1251 1  82 VAL HA   1 113 GLU HA   . . 3.750 2.195 2.080 2.320     .  0 0 "[    .    1    .    2]" 1 
       1252 1  82 VAL HA   1 113 GLU QB   . . 3.980 3.075 2.605 3.661     .  0 0 "[    .    1    .    2]" 1 
       1253 1  82 VAL HA   1 114 LEU H    . . 4.310 3.595 3.425 3.825     .  0 0 "[    .    1    .    2]" 1 
       1254 1  82 VAL HB   1  83 ARG H    . . 4.600 4.205 4.014 4.298     .  0 0 "[    .    1    .    2]" 1 
       1255 1  82 VAL QG   1  83 ARG H    . . 3.580 2.596 2.367 2.770     .  0 0 "[    .    1    .    2]" 1 
       1256 1  82 VAL QG   1 111 GLU QG   . . 4.310 2.973 2.575 3.474     .  0 0 "[    .    1    .    2]" 1 
       1257 1  82 VAL QG   1 112 VAL H    . . 5.450 4.243 4.001 4.440     .  0 0 "[    .    1    .    2]" 1 
       1258 1  82 VAL QG   1 113 GLU H    . . 4.490 4.051 3.967 4.242     .  0 0 "[    .    1    .    2]" 1 
       1259 1  82 VAL QG   1 113 GLU HA   . . 3.670 2.361 2.174 2.709     .  0 0 "[    .    1    .    2]" 1 
       1260 1  82 VAL QG   1 114 LEU H    . . 4.240 3.266 3.081 3.471     .  0 0 "[    .    1    .    2]" 1 
       1261 1  83 ARG H    1  83 ARG QB   . . 3.420 3.064 2.682 3.325     .  0 0 "[    .    1    .    2]" 1 
       1262 1  83 ARG H    1 112 VAL H    . . 4.000 3.516 3.295 3.793     .  0 0 "[    .    1    .    2]" 1 
       1263 1  83 ARG H    1 112 VAL HB   . . 4.710 3.895 3.621 4.269     .  0 0 "[    .    1    .    2]" 1 
       1264 1  83 ARG H    1 113 GLU HA   . . 4.560 3.592 3.236 3.831     .  0 0 "[    .    1    .    2]" 1 
       1265 1  83 ARG HA   1  84 ARG H    . . 3.260 2.268 2.230 2.278     .  0 0 "[    .    1    .    2]" 1 
       1266 1  83 ARG QB   1  84 ARG H    . . 4.320 2.840 2.701 3.546     .  0 0 "[    .    1    .    2]" 1 
       1267 1  83 ARG QD   1  85 LEU QD   . . 4.180 2.979 2.021 4.180 0.000 11 0 "[    .    1    .    2]" 1 
       1268 1  83 ARG QG   1  84 ARG H    . . 4.360 3.801 2.188 4.278     .  0 0 "[    .    1    .    2]" 1 
       1269 1  84 ARG H    1  84 ARG HB2  . . 3.820 3.334 2.637 3.712     .  0 0 "[    .    1    .    2]" 1 
       1270 1  84 ARG H    1  84 ARG QB   . . 3.290 2.592 2.223 2.921     .  0 0 "[    .    1    .    2]" 1 
       1271 1  84 ARG H    1  84 ARG HB3  . . 3.820 2.711 2.295 3.055     .  0 0 "[    .    1    .    2]" 1 
       1272 1  84 ARG HA   1  84 ARG QD   . . 4.960 4.218 4.003 4.496     .  0 0 "[    .    1    .    2]" 1 
       1273 1  84 ARG HA   1  84 ARG QG   . . 3.620 3.016 2.417 3.346     .  0 0 "[    .    1    .    2]" 1 
       1274 1  84 ARG HA   1  85 LEU H    . . 3.250 2.154 2.141 2.211     .  0 0 "[    .    1    .    2]" 1 
       1275 1  84 ARG HA   1 111 GLU H    . . 4.890 4.586 4.487 4.711     .  0 0 "[    .    1    .    2]" 1 
       1276 1  84 ARG HA   1 111 GLU HA   . . 3.630 1.931 1.869 2.000     .  0 0 "[    .    1    .    2]" 1 
       1277 1  84 ARG HA   1 112 VAL H    . . 4.180 2.934 2.594 3.197     .  0 0 "[    .    1    .    2]" 1 
       1278 1  84 ARG QB   1  84 ARG QD   . . 3.410 2.134 1.925 2.363     .  0 0 "[    .    1    .    2]" 1 
       1279 1  84 ARG QB   1 111 GLU HA   . . 3.970 3.176 2.402 3.772     .  0 0 "[    .    1    .    2]" 1 
       1280 1  84 ARG QD   1 109 VAL QG   . . 4.960 3.047 1.842 4.702     .  0 0 "[    .    1    .    2]" 1 
       1281 1  84 ARG QG   1  86 THR H    . . 5.500 4.852 3.847 5.450     .  0 0 "[    .    1    .    2]" 1 
       1282 1  84 ARG QG   1 111 GLU QG   . . 5.340 3.931 2.819 4.879     .  0 0 "[    .    1    .    2]" 1 
       1283 1  85 LEU H    1  85 LEU QB   . . 3.510 2.610 2.320 3.138     .  0 0 "[    .    1    .    2]" 1 
       1284 1  85 LEU H    1  85 LEU MD1  . . 4.790 2.921 1.932 3.804     .  0 0 "[    .    1    .    2]" 1 
       1285 1  85 LEU H    1  85 LEU QD   . . 4.120 2.746 1.929 3.473     .  0 0 "[    .    1    .    2]" 1 
       1286 1  85 LEU H    1  85 LEU MD2  . . 4.790 4.058 2.585 4.421     .  0 0 "[    .    1    .    2]" 1 
       1287 1  85 LEU H    1  85 LEU HG   . . 3.630 2.960 1.942 3.640 0.010 13 0 "[    .    1    .    2]" 1 
       1288 1  85 LEU H    1 110 PHE H    . . 4.090 3.621 3.312 4.129 0.039  5 0 "[    .    1    .    2]" 1 
       1289 1  85 LEU H    1 111 GLU H    . . 5.110 4.893 4.612 5.076     .  0 0 "[    .    1    .    2]" 1 
       1290 1  85 LEU H    1 111 GLU HA   . . 4.270 2.954 2.429 3.266     .  0 0 "[    .    1    .    2]" 1 
       1291 1  85 LEU HA   1  85 LEU MD1  . . 4.690 3.767 3.361 4.115     .  0 0 "[    .    1    .    2]" 1 
       1292 1  85 LEU HA   1  85 LEU QD   . . 3.540 2.817 2.240 3.245     .  0 0 "[    .    1    .    2]" 1 
       1293 1  85 LEU HA   1  85 LEU MD2  . . 4.690 2.993 2.252 3.589     .  0 0 "[    .    1    .    2]" 1 
       1294 1  85 LEU HA   1  86 THR H    . . 3.160 2.167 2.140 2.197     .  0 0 "[    .    1    .    2]" 1 
       1295 1  85 LEU QB   1  86 THR H    . . 4.000 3.089 2.946 3.269     .  0 0 "[    .    1    .    2]" 1 
       1296 1  85 LEU QB   1  87 ILE MD   . . 4.070 3.574 3.269 3.998     .  0 0 "[    .    1    .    2]" 1 
       1297 1  85 LEU QB   1 110 PHE H    . . 5.210 4.213 3.853 4.751     .  0 0 "[    .    1    .    2]" 1 
       1298 1  85 LEU QB   1 110 PHE HB2  . . 5.340 4.414 3.955 5.358 0.018  3 0 "[    .    1    .    2]" 1 
       1299 1  85 LEU HB2  1  86 THR H    . . 4.690 4.021 3.156 4.334     .  0 0 "[    .    1    .    2]" 1 
       1300 1  85 LEU HB2  1  87 ILE MD   . . 4.720 3.751 3.393 4.310     .  0 0 "[    .    1    .    2]" 1 
       1301 1  85 LEU HB3  1  86 THR H    . . 4.690 3.236 3.064 3.733     .  0 0 "[    .    1    .    2]" 1 
       1302 1  85 LEU HB3  1  87 ILE MD   . . 4.720 4.582 3.838 4.766 0.046  3 0 "[    .    1    .    2]" 1 
       1303 1  85 LEU QD   1  86 THR H    . . 5.440 3.972 3.329 4.293     .  0 0 "[    .    1    .    2]" 1 
       1304 1  85 LEU QD   1  87 ILE QG   . . 5.210 3.982 2.724 4.201     .  0 0 "[    .    1    .    2]" 1 
       1305 1  85 LEU QD   1 110 PHE H    . . 5.390 4.945 4.412 5.391 0.001 17 0 "[    .    1    .    2]" 1 
       1306 1  85 LEU QD   1 110 PHE HB2  . . 5.440 4.776 3.994 5.213     .  0 0 "[    .    1    .    2]" 1 
       1307 1  85 LEU QD   1 110 PHE HB3  . . 5.440 5.024 4.561 5.474 0.034 17 0 "[    .    1    .    2]" 1 
       1308 1  85 LEU HG   1  86 THR H    . . 5.500 4.757 4.301 5.204     .  0 0 "[    .    1    .    2]" 1 
       1309 1  86 THR H    1  86 THR HB   . . 3.720 2.716 2.457 2.908     .  0 0 "[    .    1    .    2]" 1 
       1310 1  86 THR H    1  86 THR MG   . . 4.570 3.795 3.774 3.818     .  0 0 "[    .    1    .    2]" 1 
       1311 1  86 THR H    1 109 VAL MG1  . . 5.500 3.648 3.432 3.893     .  0 0 "[    .    1    .    2]" 1 
       1312 1  86 THR H    1 109 VAL MG2  . . 5.500 5.152 4.635 5.744 0.244  1 0 "[    .    1    .    2]" 1 
       1313 1  86 THR HA   1  86 THR MG   . . 3.310 2.181 2.070 2.387     .  0 0 "[    .    1    .    2]" 1 
       1314 1  86 THR HA   1  87 ILE H    . . 3.160 2.150 2.141 2.155     .  0 0 "[    .    1    .    2]" 1 
       1315 1  86 THR HA   1  87 ILE HB   . . 4.880 4.632 4.596 4.665     .  0 0 "[    .    1    .    2]" 1 
       1316 1  86 THR HA   1 109 VAL HA   . . 3.760 2.033 1.919 2.194     .  0 0 "[    .    1    .    2]" 1 
       1317 1  86 THR HA   1 109 VAL MG1  . . 4.110 2.216 1.975 2.476     .  0 0 "[    .    1    .    2]" 1 
       1318 1  86 THR HA   1 109 VAL QG   . . 3.470 2.160 1.964 2.417     .  0 0 "[    .    1    .    2]" 1 
       1319 1  86 THR HA   1 109 VAL MG2  . . 4.110 3.174 2.645 4.071     .  0 0 "[    .    1    .    2]" 1 
       1320 1  86 THR HA   1 110 PHE H    . . 4.510 3.148 2.927 3.516     .  0 0 "[    .    1    .    2]" 1 
       1321 1  86 THR MG   1  87 ILE H    . . 3.630 2.876 2.649 2.994     .  0 0 "[    .    1    .    2]" 1 
       1322 1  86 THR MG   1  88 PRO HD3  . . 4.800 4.031 3.309 4.801 0.001  9 0 "[    .    1    .    2]" 1 
       1323 1  86 THR MG   1 109 VAL H    . . 4.970 4.046 3.624 4.344     .  0 0 "[    .    1    .    2]" 1 
       1324 1  86 THR MG   1 109 VAL HA   . . 4.690 2.883 2.530 3.366     .  0 0 "[    .    1    .    2]" 1 
       1325 1  87 ILE H    1  87 ILE HB   . . 3.650 2.508 2.486 2.546     .  0 0 "[    .    1    .    2]" 1 
       1326 1  87 ILE H    1  87 ILE MD   . . 4.040 3.454 2.867 3.781     .  0 0 "[    .    1    .    2]" 1 
       1327 1  87 ILE H    1  87 ILE QG   . . 3.730 2.592 2.476 2.774     .  0 0 "[    .    1    .    2]" 1 
       1328 1  87 ILE H    1  87 ILE MG   . . 4.440 3.793 3.782 3.810     .  0 0 "[    .    1    .    2]" 1 
       1329 1  87 ILE H    1 107 THR MG   . . 4.460 3.646 3.347 3.999     .  0 0 "[    .    1    .    2]" 1 
       1330 1  87 ILE H    1 108 LEU H    . . 4.310 4.197 4.052 4.333 0.023 16 0 "[    .    1    .    2]" 1 
       1331 1  87 ILE H    1 109 VAL HA   . . 4.250 2.469 2.038 2.868     .  0 0 "[    .    1    .    2]" 1 
       1332 1  87 ILE H    1 109 VAL QG   . . 4.610 3.435 2.969 3.796     .  0 0 "[    .    1    .    2]" 1 
       1333 1  87 ILE H    1 110 PHE H    . . 4.590 3.512 2.915 3.946     .  0 0 "[    .    1    .    2]" 1 
       1334 1  87 ILE HA   1  87 ILE MD   . . 4.610 3.856 3.780 3.880     .  0 0 "[    .    1    .    2]" 1 
       1335 1  87 ILE HA   1  87 ILE MG   . . 3.550 2.350 2.301 2.414     .  0 0 "[    .    1    .    2]" 1 
       1336 1  87 ILE HA   1  88 PRO HD2  . . 3.720 1.957 1.912 2.109     .  0 0 "[    .    1    .    2]" 1 
       1337 1  87 ILE HA   1  88 PRO HD3  . . 3.800 2.383 2.259 2.497     .  0 0 "[    .    1    .    2]" 1 
       1338 1  87 ILE HA   1  91 LEU QD   . . 5.380 4.673 4.253 5.218     .  0 0 "[    .    1    .    2]" 1 
       1339 1  87 ILE HB   1  87 ILE MD   . . 3.520 2.230 2.040 2.386     .  0 0 "[    .    1    .    2]" 1 
       1340 1  87 ILE HB   1 108 LEU H    . . 4.690 4.320 4.064 4.582     .  0 0 "[    .    1    .    2]" 1 
       1341 1  87 ILE HB   1 108 LEU HB2  . . 4.170 3.576 3.252 3.925     .  0 0 "[    .    1    .    2]" 1 
       1342 1  87 ILE HB   1 108 LEU HB3  . . 5.350 4.837 4.452 5.250     .  0 0 "[    .    1    .    2]" 1 
       1343 1  87 ILE MD   1 108 LEU HB2  . . 4.800 4.681 4.405 4.819 0.019 19 0 "[    .    1    .    2]" 1 
       1344 1  87 ILE MD   1 110 PHE H    . . 5.050 3.784 3.373 4.408     .  0 0 "[    .    1    .    2]" 1 
       1345 1  87 ILE MD   1 110 PHE QD   . . 3.370 2.849 2.126 3.344     .  0 0 "[    .    1    .    2]" 1 
       1346 1  87 ILE QG   1  87 ILE MG   . . 3.090 2.201 2.097 2.329     .  0 0 "[    .    1    .    2]" 1 
       1347 1  87 ILE QG   1 110 PHE QD   . . 4.920 4.171 3.304 4.788     .  0 0 "[    .    1    .    2]" 1 
       1348 1  87 ILE MG   1  88 PRO HD2  . . 3.750 2.412 1.909 2.734     .  0 0 "[    .    1    .    2]" 1 
       1349 1  87 ILE MG   1  91 LEU H    . . 4.330 3.876 3.478 4.125     .  0 0 "[    .    1    .    2]" 1 
       1350 1  87 ILE MG   1  91 LEU HB2  . . 3.300 2.928 2.391 3.323 0.023  1 0 "[    .    1    .    2]" 1 
       1351 1  87 ILE MG   1  91 LEU HB3  . . 3.450 2.944 2.479 3.355     .  0 0 "[    .    1    .    2]" 1 
       1352 1  87 ILE MG   1  92 GLY H    . . 4.240 3.761 3.610 3.943     .  0 0 "[    .    1    .    2]" 1 
       1353 1  87 ILE MG   1  92 GLY HA2  . . 4.370 3.353 3.157 3.553     .  0 0 "[    .    1    .    2]" 1 
       1354 1  87 ILE MG   1  92 GLY QA   . . 3.690 2.574 2.385 2.921     .  0 0 "[    .    1    .    2]" 1 
       1355 1  87 ILE MG   1  92 GLY HA3  . . 4.370 2.685 2.443 3.161     .  0 0 "[    .    1    .    2]" 1 
       1356 1  87 ILE MG   1 110 PHE QD   . . 5.470 4.551 3.873 5.018     .  0 0 "[    .    1    .    2]" 1 
       1357 1  87 ILE MG   1 110 PHE QE   . . 5.500 4.984 3.734 5.512 0.012 17 0 "[    .    1    .    2]" 1 
       1358 1  88 PRO HA   1  89 PRO HD2  . . 3.780 2.586 2.577 2.598     .  0 0 "[    .    1    .    2]" 1 
       1359 1  88 PRO HA   1  89 PRO HD3  . . 3.780 2.396 2.391 2.403     .  0 0 "[    .    1    .    2]" 1 
       1360 1  88 PRO HA   1  89 PRO HG3  . . 4.670 4.599 4.593 4.608     .  0 0 "[    .    1    .    2]" 1 
       1361 1  88 PRO QB   1  89 PRO QD   . . 3.270 1.903 1.880 1.920     .  0 0 "[    .    1    .    2]" 1 
       1362 1  88 PRO QB   1  90 GLN H    . . 5.040 2.509 2.490 2.525     .  0 0 "[    .    1    .    2]" 1 
       1363 1  88 PRO QB   1  90 GLN QE   . . 4.590 3.138 1.927 4.253     .  0 0 "[    .    1    .    2]" 1 
       1364 1  88 PRO QB   1  91 LEU QD   . . 4.680 3.381 3.281 3.834     .  0 0 "[    .    1    .    2]" 1 
       1365 1  88 PRO QB   1 107 THR MG   . . 4.700 2.931 2.649 3.233     .  0 0 "[    .    1    .    2]" 1 
       1366 1  88 PRO HD2  1  91 LEU QD   . . 3.740 3.325 2.897 3.740     .  0 0 "[    .    1    .    2]" 1 
       1367 1  88 PRO HD2  1  92 GLY H    . . 5.500 5.589 5.575 5.604 0.104 17 0 "[    .    1    .    2]" 1 
       1368 1  88 PRO HD3  1  91 LEU HB2  . . 4.240 4.207 4.137 4.279 0.039 14 0 "[    .    1    .    2]" 1 
       1369 1  88 PRO HD3  1  91 LEU QD   . . 4.490 4.148 3.685 4.525 0.035  4 0 "[    .    1    .    2]" 1 
       1370 1  88 PRO QG   1  90 GLN H    . . 4.610 3.677 3.645 3.706     .  0 0 "[    .    1    .    2]" 1 
       1371 1  88 PRO QG   1  90 GLN QE   . . 4.060 3.066 2.290 3.819     .  0 0 "[    .    1    .    2]" 1 
       1372 1  88 PRO QG   1  91 LEU H    . . 4.110 2.921 2.906 2.937     .  0 0 "[    .    1    .    2]" 1 
       1373 1  89 PRO HA   1  91 LEU H    . . 5.260 3.643 3.637 3.652     .  0 0 "[    .    1    .    2]" 1 
       1374 1  89 PRO HA   1  92 GLY H    . . 4.430 3.121 3.085 3.152     .  0 0 "[    .    1    .    2]" 1 
       1375 1  89 PRO HA   1  92 GLY QA   . . 5.040 3.613 3.429 3.771     .  0 0 "[    .    1    .    2]" 1 
       1376 1  89 PRO HA   1  94 GLY H    . . 4.940 2.275 1.948 2.748     .  0 0 "[    .    1    .    2]" 1 
       1377 1  89 PRO HA   1 107 THR HA   . . 4.770 4.491 4.175 4.690     .  0 0 "[    .    1    .    2]" 1 
       1378 1  89 PRO HA   1 107 THR MG   . . 5.500 5.298 5.143 5.482     .  0 0 "[    .    1    .    2]" 1 
       1379 1  89 PRO QB   1  94 GLY H    . . 4.470 2.506 2.231 2.956     .  0 0 "[    .    1    .    2]" 1 
       1380 1  89 PRO QB   1  94 GLY HA2  . . 4.370 2.517 2.072 3.004     .  0 0 "[    .    1    .    2]" 1 
       1381 1  89 PRO QB   1  94 GLY HA3  . . 4.370 3.938 3.566 4.389 0.019 13 0 "[    .    1    .    2]" 1 
       1382 1  89 PRO QB   1 105 ASN H    . . 5.480 4.931 2.957 5.254     .  0 0 "[    .    1    .    2]" 1 
       1383 1  89 PRO QB   1 105 ASN HA   . . 3.860 3.587 2.324 3.884 0.024 16 0 "[    .    1    .    2]" 1 
       1384 1  89 PRO QD   1  90 GLN H    . . 3.950 2.605 2.603 2.606     .  0 0 "[    .    1    .    2]" 1 
       1385 1  89 PRO QD   1 107 THR HA   . . 4.490 2.109 1.982 2.345     .  0 0 "[    .    1    .    2]" 1 
       1386 1  89 PRO QD   1 107 THR MG   . . 4.210 3.088 2.723 3.312     .  0 0 "[    .    1    .    2]" 1 
       1387 1  89 PRO HD2  1  90 GLN H    . . 4.540 2.650 2.648 2.651     .  0 0 "[    .    1    .    2]" 1 
       1388 1  89 PRO HD2  1 107 THR MG   . . 4.860 3.808 3.321 4.093     .  0 0 "[    .    1    .    2]" 1 
       1389 1  89 PRO HD3  1  90 GLN H    . . 4.540 3.836 3.836 3.837     .  0 0 "[    .    1    .    2]" 1 
       1390 1  89 PRO HD3  1 107 THR MG   . . 4.860 3.267 2.892 3.501     .  0 0 "[    .    1    .    2]" 1 
       1391 1  89 PRO HG2  1  90 GLN H    . . 3.640 2.279 2.261 2.302     .  0 0 "[    .    1    .    2]" 1 
       1392 1  89 PRO HG2  1  91 LEU H    . . 5.500 4.725 4.712 4.746     .  0 0 "[    .    1    .    2]" 1 
       1393 1  89 PRO HG2  1 105 ASN HA   . . 4.070 3.372 2.815 3.773     .  0 0 "[    .    1    .    2]" 1 
       1394 1  89 PRO HG2  1 106 ALA H    . . 5.500 5.215 4.970 5.464     .  0 0 "[    .    1    .    2]" 1 
       1395 1  89 PRO HG3  1  90 GLN H    . . 4.670 3.814 3.801 3.831     .  0 0 "[    .    1    .    2]" 1 
       1396 1  89 PRO HG3  1 105 ASN HA   . . 4.100 2.522 2.028 2.832     .  0 0 "[    .    1    .    2]" 1 
       1397 1  89 PRO HG3  1 105 ASN QB   . . 4.930 4.322 3.689 4.776     .  0 0 "[    .    1    .    2]" 1 
       1398 1  89 PRO HG3  1 106 ALA H    . . 4.530 3.592 3.400 3.944     .  0 0 "[    .    1    .    2]" 1 
       1399 1  90 GLN H    1  90 GLN QB   . . 3.130 2.634 2.514 2.665     .  0 0 "[    .    1    .    2]" 1 
       1400 1  90 GLN H    1  90 GLN QE   . . 5.150 4.208 2.604 4.820     .  0 0 "[    .    1    .    2]" 1 
       1401 1  90 GLN H    1  90 GLN QG   . . 4.010 2.085 1.989 2.118     .  0 0 "[    .    1    .    2]" 1 
       1402 1  90 GLN H    1  91 LEU H    . . 3.740 2.606 2.597 2.616     .  0 0 "[    .    1    .    2]" 1 
       1403 1  90 GLN H    1  91 LEU HB2  . . 5.110 4.577 4.504 4.985     .  0 0 "[    .    1    .    2]" 1 
       1404 1  90 GLN H    1  91 LEU QD   . . 4.250 3.821 3.655 4.314 0.064 14 0 "[    .    1    .    2]" 1 
       1405 1  90 GLN H    1  92 GLY H    . . 5.480 3.982 3.963 4.008     .  0 0 "[    .    1    .    2]" 1 
       1406 1  90 GLN HA   1  92 GLY H    . . 4.230 4.002 3.970 4.027     .  0 0 "[    .    1    .    2]" 1 
       1407 1  90 GLN QB   1  91 LEU H    . . 4.340 3.737 3.730 3.756     .  0 0 "[    .    1    .    2]" 1 
       1408 1  90 GLN QB   1  91 LEU HB2  . . 5.460 4.947 4.906 5.449     .  0 0 "[    .    1    .    2]" 1 
       1409 1  90 GLN QB   1  91 LEU QD   . . 4.810 2.735 2.594 3.275     .  0 0 "[    .    1    .    2]" 1 
       1410 1  90 GLN QB   1  91 LEU HG   . . 5.500 4.977 3.872 5.542 0.042 15 0 "[    .    1    .    2]" 1 
       1411 1  90 GLN QE   1  91 LEU QD   . . 4.200 2.883 2.149 3.812     .  0 0 "[    .    1    .    2]" 1 
       1412 1  90 GLN QG   1  91 LEU HB2  . . 4.810 3.267 3.165 3.792     .  0 0 "[    .    1    .    2]" 1 
       1413 1  90 GLN QG   1  91 LEU QD   . . 4.190 1.897 1.811 1.960     .  0 0 "[    .    1    .    2]" 1 
       1414 1  90 GLN QG   1  91 LEU HG   . . 5.370 4.079 1.964 4.339     .  0 0 "[    .    1    .    2]" 1 
       1415 1  91 LEU H    1  91 LEU HB2  . . 3.640 2.496 2.427 2.754     .  0 0 "[    .    1    .    2]" 1 
       1416 1  91 LEU H    1  91 LEU HB3  . . 3.760 3.641 3.591 3.818 0.058 14 0 "[    .    1    .    2]" 1 
       1417 1  91 LEU H    1  91 LEU QD   . . 3.920 2.911 2.768 3.254     .  0 0 "[    .    1    .    2]" 1 
       1418 1  91 LEU H    1  91 LEU HG   . . 4.800 4.273 2.896 4.569     .  0 0 "[    .    1    .    2]" 1 
       1419 1  91 LEU H    1  92 GLY H    . . 3.220 2.036 2.020 2.063     .  0 0 "[    .    1    .    2]" 1 
       1420 1  91 LEU H    1  92 GLY QA   . . 4.790 3.876 3.842 3.916     .  0 0 "[    .    1    .    2]" 1 
       1421 1  91 LEU HA   1  91 LEU QD   . . 3.070 2.443 1.889 2.985     .  0 0 "[    .    1    .    2]" 1 
       1422 1  91 LEU HB2  1  92 GLY H    . . 3.890 3.758 3.681 3.815     .  0 0 "[    .    1    .    2]" 1 
       1423 1  91 LEU QD   1  92 GLY H    . . 4.890 4.169 3.978 4.415     .  0 0 "[    .    1    .    2]" 1 
       1424 1  92 GLY H    1  93 TYR H    . . 4.380 3.297 3.114 3.469     .  0 0 "[    .    1    .    2]" 1 
       1425 1  92 GLY H    1  94 GLY H    . . 4.370 3.949 3.648 4.373 0.003 20 0 "[    .    1    .    2]" 1 
       1426 1  92 GLY QA   1 108 LEU MD1  . . 4.220 3.943 3.411 4.220 0.000  4 0 "[    .    1    .    2]" 1 
       1427 1  93 TYR H    1  93 TYR QD   . . 4.130 2.706 2.235 3.464     .  0 0 "[    .    1    .    2]" 1 
       1428 1  93 TYR H    1  94 GLY H    . . 3.680 2.842 2.464 3.104     .  0 0 "[    .    1    .    2]" 1 
       1429 1  93 TYR H    1 108 LEU MD1  . . 4.640 3.183 2.423 3.989     .  0 0 "[    .    1    .    2]" 1 
       1430 1  93 TYR HA   1  93 TYR QD   . . 3.720 2.235 1.958 2.434     .  0 0 "[    .    1    .    2]" 1 
       1431 1  93 TYR QB   1  94 GLY H    . . 4.220 2.270 2.107 2.476     .  0 0 "[    .    1    .    2]" 1 
       1432 1  93 TYR QB   1  97 GLY H    . . 5.340 3.859 3.568 4.003     .  0 0 "[    .    1    .    2]" 1 
       1433 1  93 TYR QB   1  97 GLY QA   . . 4.710 4.248 3.156 4.467     .  0 0 "[    .    1    .    2]" 1 
       1434 1  93 TYR QB   1  98 ALA MB   . . 4.400 3.853 3.047 4.102     .  0 0 "[    .    1    .    2]" 1 
       1435 1  93 TYR QB   1 102 ILE MD   . . 5.340 5.264 5.143 5.356 0.016  8 0 "[    .    1    .    2]" 1 
       1436 1  93 TYR QB   1 102 ILE MG   . . 4.210 3.934 2.717 4.072     .  0 0 "[    .    1    .    2]" 1 
       1437 1  93 TYR QB   1 108 LEU MD1  . . 4.960 2.833 2.105 4.064     .  0 0 "[    .    1    .    2]" 1 
       1438 1  93 TYR QB   1 108 LEU MD2  . . 5.340 4.582 3.931 5.358 0.018 13 0 "[    .    1    .    2]" 1 
       1439 1  93 TYR HB2  1  98 ALA MB   . . 5.090 4.843 3.724 5.114 0.024 19 0 "[    .    1    .    2]" 1 
       1440 1  93 TYR HB2  1 102 ILE MG   . . 4.830 4.471 3.007 4.706     .  0 0 "[    .    1    .    2]" 1 
       1441 1  93 TYR HB3  1  98 ALA MB   . . 5.090 4.048 3.193 4.319     .  0 0 "[    .    1    .    2]" 1 
       1442 1  93 TYR HB3  1 102 ILE MG   . . 4.830 4.389 3.097 4.833 0.003 15 0 "[    .    1    .    2]" 1 
       1443 1  93 TYR QD   1  98 ALA MB   . . 3.940 2.519 2.221 3.796     .  0 0 "[    .    1    .    2]" 1 
       1444 1  93 TYR QD   1 102 ILE HB   . . 5.500 5.233 4.284 5.535 0.035 15 0 "[    .    1    .    2]" 1 
       1445 1  93 TYR QD   1 102 ILE MD   . . 3.840 3.875 3.847 3.906 0.066 17 0 "[    .    1    .    2]" 1 
       1446 1  93 TYR QD   1 102 ILE MG   . . 3.780 3.005 1.990 3.182     .  0 0 "[    .    1    .    2]" 1 
       1447 1  93 TYR QD   1 108 LEU MD1  . . 3.480 2.572 2.053 3.064     .  0 0 "[    .    1    .    2]" 1 
       1448 1  93 TYR QD   1 108 LEU MD2  . . 4.550 4.007 3.662 4.557 0.007  1 0 "[    .    1    .    2]" 1 
       1449 1  93 TYR QE   1  98 ALA MB   . . 4.230 2.476 2.026 3.719     .  0 0 "[    .    1    .    2]" 1 
       1450 1  93 TYR QE   1 102 ILE MD   . . 3.800 3.249 2.988 3.465     .  0 0 "[    .    1    .    2]" 1 
       1451 1  93 TYR QE   1 102 ILE MG   . . 5.110 3.691 2.826 3.949     .  0 0 "[    .    1    .    2]" 1 
       1452 1  93 TYR QE   1 108 LEU MD1  . . 3.710 2.689 1.946 3.241     .  0 0 "[    .    1    .    2]" 1 
       1453 1  93 TYR QE   1 108 LEU MD2  . . 4.970 3.691 2.227 4.207     .  0 0 "[    .    1    .    2]" 1 
       1454 1  94 GLY QA   1  95 ALA MB   . . 4.290 3.737 3.730 3.787     .  0 0 "[    .    1    .    2]" 1 
       1455 1  94 GLY QA   1  96 ARG H    . . 4.630 2.933 2.901 2.981     .  0 0 "[    .    1    .    2]" 1 
       1456 1  95 ALA H    1 104 PRO HB2  . . 5.500 4.872 4.822 5.223     .  0 0 "[    .    1    .    2]" 1 
       1457 1  95 ALA H    1 104 PRO HB3  . . 5.500 5.160 5.107 5.238     .  0 0 "[    .    1    .    2]" 1 
       1458 1  95 ALA HA   1  97 GLY H    . . 4.730 3.574 3.484 3.638     .  0 0 "[    .    1    .    2]" 1 
       1459 1  95 ALA HA   1 104 PRO HB2  . . 4.210 2.361 2.267 2.643     .  0 0 "[    .    1    .    2]" 1 
       1460 1  95 ALA HA   1 104 PRO QB   . . 3.590 2.177 2.130 2.312     .  0 0 "[    .    1    .    2]" 1 
       1461 1  95 ALA HA   1 104 PRO HB3  . . 4.210 2.563 2.431 2.702     .  0 0 "[    .    1    .    2]" 1 
       1462 1  95 ALA HA   1 105 ASN H    . . 4.770 4.627 2.526 4.782 0.012 15 0 "[    .    1    .    2]" 1 
       1463 1  95 ALA HA   1 105 ASN QB   . . 5.340 5.371 4.097 5.480 0.140 17 0 "[    .    1    .    2]" 1 
       1464 1  95 ALA MB   1  96 ARG H    . . 3.910 3.356 3.026 3.389     .  0 0 "[    .    1    .    2]" 1 
       1465 1  95 ALA MB   1  97 GLY H    . . 4.580 4.525 4.318 4.587 0.007 18 0 "[    .    1    .    2]" 1 
       1466 1  95 ALA MB   1 104 PRO HA   . . 4.660 3.603 3.472 3.682     .  0 0 "[    .    1    .    2]" 1 
       1467 1  95 ALA MB   1 104 PRO QB   . . 4.330 1.983 1.929 2.467     .  0 0 "[    .    1    .    2]" 1 
       1468 1  95 ALA MB   1 105 ASN H    . . 5.080 5.063 3.887 5.174 0.094 19 0 "[    .    1    .    2]" 1 
       1469 1  95 ALA MB   1 105 ASN HA   . . 5.240 4.796 4.757 4.873     .  0 0 "[    .    1    .    2]" 1 
       1470 1  96 ARG H    1  96 ARG QB   . . 3.230 2.248 2.165 2.560     .  0 0 "[    .    1    .    2]" 1 
       1471 1  96 ARG H    1  96 ARG QD   . . 4.720 3.832 2.065 4.583     .  0 0 "[    .    1    .    2]" 1 
       1472 1  96 ARG H    1  96 ARG QG   . . 4.150 3.537 2.000 4.065     .  0 0 "[    .    1    .    2]" 1 
       1473 1  96 ARG H    1  97 GLY H    . . 3.570 2.542 2.477 2.774     .  0 0 "[    .    1    .    2]" 1 
       1474 1  96 ARG HA   1  96 ARG QD   . . 4.120 2.903 2.047 4.114     .  0 0 "[    .    1    .    2]" 1 
       1475 1  96 ARG HA   1  96 ARG QG   . . 3.800 2.560 2.135 3.062     .  0 0 "[    .    1    .    2]" 1 
       1476 1  96 ARG QB   1  96 ARG QD   . . 3.470 2.299 2.023 2.853     .  0 0 "[    .    1    .    2]" 1 
       1477 1  96 ARG QB   1  97 GLY H    . . 3.700 2.902 2.805 3.091     .  0 0 "[    .    1    .    2]" 1 
       1478 1  96 ARG QB   1  97 GLY QA   . . 5.070 4.114 4.013 4.287     .  0 0 "[    .    1    .    2]" 1 
       1479 1  97 GLY H    1 104 PRO HA   . . 4.480 3.338 3.104 3.477     .  0 0 "[    .    1    .    2]" 1 
       1480 1  97 GLY H    1 104 PRO HB2  . . 5.500 5.336 5.160 5.548 0.048 20 0 "[    .    1    .    2]" 1 
       1481 1  97 GLY H    1 104 PRO HB3  . . 5.500 4.267 4.107 4.455     .  0 0 "[    .    1    .    2]" 1 
       1482 1  97 GLY QA   1  98 ALA MB   . . 4.410 3.601 3.509 3.725     .  0 0 "[    .    1    .    2]" 1 
       1483 1  97 GLY QA   1 102 ILE HB   . . 4.400 4.060 3.188 4.133     .  0 0 "[    .    1    .    2]" 1 
       1484 1  97 GLY QA   1 102 ILE MD   . . 5.340 4.901 4.807 5.183     .  0 0 "[    .    1    .    2]" 1 
       1485 1  97 GLY QA   1 102 ILE MG   . . 3.700 2.926 2.739 3.102     .  0 0 "[    .    1    .    2]" 1 
       1486 1  97 GLY HA2  1 102 ILE HB   . . 5.040 4.298 3.370 4.388     .  0 0 "[    .    1    .    2]" 1 
       1487 1  97 GLY HA2  1 102 ILE MG   . . 4.360 2.986 2.793 3.174     .  0 0 "[    .    1    .    2]" 1 
       1488 1  97 GLY HA3  1 102 ILE HB   . . 5.040 4.994 3.935 5.070 0.030 19 0 "[    .    1    .    2]" 1 
       1489 1  97 GLY HA3  1 102 ILE MG   . . 4.360 4.201 3.945 4.367 0.007  7 0 "[    .    1    .    2]" 1 
       1490 1  98 ALA H    1  98 ALA MB   . . 3.620 2.597 2.448 2.796     .  0 0 "[    .    1    .    2]" 1 
       1491 1  98 ALA H    1  99 GLY H    . . 4.720 2.259 1.894 3.156     .  0 0 "[    .    1    .    2]" 1 
       1492 1  98 ALA H    1 102 ILE H    . . 4.980 4.806 4.277 4.961     .  0 0 "[    .    1    .    2]" 1 
       1493 1  98 ALA H    1 102 ILE HB   . . 3.190 2.714 1.944 2.995     .  0 0 "[    .    1    .    2]" 1 
       1494 1  98 ALA H    1 102 ILE MD   . . 4.730 3.796 3.487 4.765 0.035 20 0 "[    .    1    .    2]" 1 
       1495 1  98 ALA H    1 102 ILE MG   . . 3.740 2.573 1.931 3.192     .  0 0 "[    .    1    .    2]" 1 
       1496 1  98 ALA HA   1 102 ILE MG   . . 5.240 4.454 4.139 4.826     .  0 0 "[    .    1    .    2]" 1 
       1497 1  98 ALA MB   1  99 GLY HA2  . . 5.150 4.292 3.851 5.079     .  0 0 "[    .    1    .    2]" 1 
       1498 1  98 ALA MB   1  99 GLY HA3  . . 5.150 3.855 3.568 4.368     .  0 0 "[    .    1    .    2]" 1 
       1499 1  98 ALA MB   1 102 ILE HB   . . 4.120 3.068 1.975 3.897     .  0 0 "[    .    1    .    2]" 1 
       1500 1  98 ALA MB   1 102 ILE MD   . . 3.370 2.168 1.865 3.445 0.075 20 0 "[    .    1    .    2]" 1 
       1501 1  98 ALA MB   1 102 ILE MG   . . 3.450 2.429 2.043 2.937     .  0 0 "[    .    1    .    2]" 1 
       1502 1  99 GLY QA   1 101 VAL QG   . . 4.410 3.902 3.565 4.320     .  0 0 "[    .    1    .    2]" 1 
       1503 1 101 VAL H    1 101 VAL HB   . . 3.890 3.453 2.432 3.678     .  0 0 "[    .    1    .    2]" 1 
       1504 1 101 VAL H    1 101 VAL QG   . . 3.180 2.039 1.850 2.345     .  0 0 "[    .    1    .    2]" 1 
       1505 1 101 VAL H    1 102 ILE HB   . . 5.040 4.657 4.529 4.812     .  0 0 "[    .    1    .    2]" 1 
       1506 1 101 VAL H    1 102 ILE MD   . . 5.190 4.737 4.447 5.334 0.144 20 0 "[    .    1    .    2]" 1 
       1507 1 101 VAL HA   1 101 VAL QG   . . 3.180 2.226 2.116 2.315     .  0 0 "[    .    1    .    2]" 1 
       1508 1 101 VAL HB   1 102 ILE H    . . 5.240 4.271 3.012 4.452     .  0 0 "[    .    1    .    2]" 1 
       1509 1 101 VAL HB   1 102 ILE QG   . . 4.670 4.171 2.905 4.653     .  0 0 "[    .    1    .    2]" 1 
       1510 1 101 VAL QG   1 102 ILE H    . . 3.440 3.045 1.867 3.464 0.024 11 0 "[    .    1    .    2]" 1 
       1511 1 101 VAL QG   1 102 ILE MD   . . 3.640 3.305 1.856 3.713 0.073 19 0 "[    .    1    .    2]" 1 
       1512 1 102 ILE H    1 102 ILE HB   . . 3.790 2.746 2.557 3.735     .  0 0 "[    .    1    .    2]" 1 
       1513 1 102 ILE H    1 102 ILE MD   . . 5.360 4.048 2.345 4.390     .  0 0 "[    .    1    .    2]" 1 
       1514 1 102 ILE H    1 102 ILE QG   . . 3.910 2.840 2.592 3.095     .  0 0 "[    .    1    .    2]" 1 
       1515 1 102 ILE H    1 102 ILE MG   . . 4.700 3.869 3.814 3.987     .  0 0 "[    .    1    .    2]" 1 
       1516 1 102 ILE HA   1 102 ILE MD   . . 3.950 3.730 2.180 3.849     .  0 0 "[    .    1    .    2]" 1 
       1517 1 102 ILE HA   1 102 ILE HG12 . . 4.100 2.544 2.466 3.340     .  0 0 "[    .    1    .    2]" 1 
       1518 1 102 ILE HA   1 102 ILE QG   . . 3.500 2.429 2.370 3.121     .  0 0 "[    .    1    .    2]" 1 
       1519 1 102 ILE HA   1 102 ILE HG13 . . 4.100 3.084 2.941 3.747     .  0 0 "[    .    1    .    2]" 1 
       1520 1 102 ILE HA   1 102 ILE MG   . . 3.450 2.358 2.311 2.412     .  0 0 "[    .    1    .    2]" 1 
       1521 1 102 ILE HA   1 103 PRO QD   . . 3.360 1.892 1.871 1.905     .  0 0 "[    .    1    .    2]" 1 
       1522 1 102 ILE HA   1 103 PRO QG   . . 4.370 3.805 3.788 3.816     .  0 0 "[    .    1    .    2]" 1 
       1523 1 102 ILE HA   1 106 ALA H    . . 5.480 5.330 5.288 5.701 0.221 20 0 "[    .    1    .    2]" 1 
       1524 1 102 ILE HA   1 106 ALA MB   . . 4.620 2.888 2.854 3.115     .  0 0 "[    .    1    .    2]" 1 
       1525 1 102 ILE MD   1 102 ILE MG   . . 2.890 1.986 1.906 2.055     .  0 0 "[    .    1    .    2]" 1 
       1526 1 102 ILE MD   1 103 PRO QD   . . 5.280 4.848 3.296 4.961     .  0 0 "[    .    1    .    2]" 1 
       1527 1 102 ILE MD   1 106 ALA MB   . . 4.550 4.428 3.665 4.543     .  0 0 "[    .    1    .    2]" 1 
       1528 1 102 ILE MD   1 108 LEU MD1  . . 4.070 3.950 3.000 4.085 0.015 17 0 "[    .    1    .    2]" 1 
       1529 1 102 ILE MD   1 108 LEU MD2  . . 3.310 3.102 2.660 3.318 0.008  7 0 "[    .    1    .    2]" 1 
       1530 1 102 ILE MD   1 108 LEU HG   . . 5.500 5.258 4.621 5.517 0.017 12 0 "[    .    1    .    2]" 1 
       1531 1 102 ILE MG   1 103 PRO HB2  . . 5.240 5.288 5.211 5.422 0.182 20 0 "[    .    1    .    2]" 1 
       1532 1 102 ILE MG   1 103 PRO HD2  . . 4.290 3.149 3.026 3.271     .  0 0 "[    .    1    .    2]" 1 
       1533 1 102 ILE MG   1 103 PRO QD   . . 3.730 3.067 2.956 3.177     .  0 0 "[    .    1    .    2]" 1 
       1534 1 102 ILE MG   1 103 PRO HD3  . . 4.290 4.222 4.142 4.305 0.015  1 0 "[    .    1    .    2]" 1 
       1535 1 102 ILE MG   1 106 ALA H    . . 4.920 4.073 3.987 4.220     .  0 0 "[    .    1    .    2]" 1 
       1536 1 102 ILE MG   1 106 ALA HA   . . 5.070 5.011 4.817 5.082 0.012  5 0 "[    .    1    .    2]" 1 
       1537 1 102 ILE MG   1 106 ALA MB   . . 3.040 2.402 2.214 2.465     .  0 0 "[    .    1    .    2]" 1 
       1538 1 103 PRO HA   1 104 PRO HD2  . . 3.610 2.538 2.527 2.605     .  0 0 "[    .    1    .    2]" 1 
       1539 1 103 PRO HA   1 104 PRO QD   . . 3.160 2.177 2.170 2.221     .  0 0 "[    .    1    .    2]" 1 
       1540 1 103 PRO HA   1 104 PRO HD3  . . 3.610 2.369 2.363 2.408     .  0 0 "[    .    1    .    2]" 1 
       1541 1 103 PRO HA   1 104 PRO HG2  . . 4.970 4.629 4.621 4.686     .  0 0 "[    .    1    .    2]" 1 
       1542 1 103 PRO HB2  1 104 PRO HD2  . . 3.730 2.071 1.922 2.096     .  0 0 "[    .    1    .    2]" 1 
       1543 1 103 PRO HB2  1 104 PRO HD3  . . 3.730 3.510 3.383 3.532     .  0 0 "[    .    1    .    2]" 1 
       1544 1 103 PRO HB2  1 104 PRO HG2  . . 3.790 3.718 3.604 3.738     .  0 0 "[    .    1    .    2]" 1 
       1545 1 103 PRO HB3  1 104 PRO QD   . . 3.500 2.662 2.597 2.673     .  0 0 "[    .    1    .    2]" 1 
       1546 1 103 PRO QD   1 106 ALA MB   . . 3.480 1.901 1.865 2.212     .  0 0 "[    .    1    .    2]" 1 
       1547 1 103 PRO QG   1 106 ALA MB   . . 3.280 1.958 1.823 2.006     .  0 0 "[    .    1    .    2]" 1 
       1548 1 104 PRO HA   1 105 ASN H    . . 3.550 3.334 2.153 3.415     .  0 0 "[    .    1    .    2]" 1 
       1549 1 104 PRO HA   1 106 ALA H    . . 5.200 3.829 3.403 3.879     .  0 0 "[    .    1    .    2]" 1 
       1550 1 104 PRO QB   1 105 ASN H    . . 4.050 3.558 3.347 3.590     .  0 0 "[    .    1    .    2]" 1 
       1551 1 104 PRO HB2  1 106 ALA H    . . 5.500 5.268 5.034 5.300     .  0 0 "[    .    1    .    2]" 1 
       1552 1 104 PRO HB3  1 106 ALA H    . . 5.500 5.697 5.466 5.725 0.225 17 0 "[    .    1    .    2]" 1 
       1553 1 104 PRO HG2  1 105 ASN H    . . 4.940 3.104 2.932 4.975 0.035 20 0 "[    .    1    .    2]" 1 
       1554 1 104 PRO HG2  1 105 ASN HB2  . . 5.500 4.086 3.277 5.097     .  0 0 "[    .    1    .    2]" 1 
       1555 1 104 PRO HG2  1 105 ASN QB   . . 4.660 3.371 3.218 4.090     .  0 0 "[    .    1    .    2]" 1 
       1556 1 104 PRO HG2  1 105 ASN HB3  . . 5.500 4.032 3.359 4.843     .  0 0 "[    .    1    .    2]" 1 
       1557 1 104 PRO HG3  1 105 ASN H    . . 5.500 4.424 4.302 5.677 0.177 20 0 "[    .    1    .    2]" 1 
       1558 1 105 ASN H    1 106 ALA H    . . 4.150 2.267 2.236 2.458     .  0 0 "[    .    1    .    2]" 1 
       1559 1 105 ASN HB2  1 106 ALA H    . . 4.550 4.447 4.238 4.541     .  0 0 "[    .    1    .    2]" 1 
       1560 1 105 ASN HB3  1 106 ALA H    . . 4.550 4.012 3.764 4.368     .  0 0 "[    .    1    .    2]" 1 
       1561 1 105 ASN QD   1 106 ALA H    . . 5.190 4.608 3.657 5.189     .  0 0 "[    .    1    .    2]" 1 
       1562 1 106 ALA H    1 106 ALA MB   . . 3.200 2.088 2.066 2.172     .  0 0 "[    .    1    .    2]" 1 
       1563 1 106 ALA H    1 107 THR H    . . 4.840 4.598 4.381 4.623     .  0 0 "[    .    1    .    2]" 1 
       1564 1 106 ALA HA   1 107 THR H    . . 2.900 2.262 2.153 2.345     .  0 0 "[    .    1    .    2]" 1 
       1565 1 106 ALA HA   1 107 THR HB   . . 5.500 4.681 4.544 5.138     .  0 0 "[    .    1    .    2]" 1 
       1566 1 106 ALA HA   1 107 THR MG   . . 5.500 5.421 5.191 5.487     .  0 0 "[    .    1    .    2]" 1 
       1567 1 106 ALA MB   1 107 THR H    . . 3.670 2.840 2.661 3.382     .  0 0 "[    .    1    .    2]" 1 
       1568 1 107 THR H    1 107 THR HB   . . 3.210 2.641 2.525 2.975     .  0 0 "[    .    1    .    2]" 1 
       1569 1 107 THR H    1 107 THR MG   . . 4.010 3.831 3.779 3.868     .  0 0 "[    .    1    .    2]" 1 
       1570 1 107 THR H    1 108 LEU H    . . 4.910 4.515 4.468 4.611     .  0 0 "[    .    1    .    2]" 1 
       1571 1 107 THR HA   1 107 THR MG   . . 3.440 2.300 2.201 2.363     .  0 0 "[    .    1    .    2]" 1 
       1572 1 107 THR HB   1 108 LEU H    . . 4.930 3.837 3.417 3.974     .  0 0 "[    .    1    .    2]" 1 
       1573 1 107 THR MG   1 108 LEU H    . . 3.450 2.001 1.911 2.163     .  0 0 "[    .    1    .    2]" 1 
       1574 1 107 THR MG   1 108 LEU HG   . . 4.470 4.407 4.178 4.510 0.040  3 0 "[    .    1    .    2]" 1 
       1575 1 107 THR MG   1 109 VAL H    . . 5.290 4.372 4.161 5.078     .  0 0 "[    .    1    .    2]" 1 
       1576 1 108 LEU H    1 108 LEU MD1  . . 4.400 3.756 2.780 4.134     .  0 0 "[    .    1    .    2]" 1 
       1577 1 108 LEU H    1 108 LEU MD2  . . 4.410 3.848 3.443 4.340     .  0 0 "[    .    1    .    2]" 1 
       1578 1 108 LEU H    1 108 LEU HG   . . 3.510 2.859 2.523 3.082     .  0 0 "[    .    1    .    2]" 1 
       1579 1 108 LEU H    1 109 VAL QG   . . 4.950 4.341 4.177 4.465     .  0 0 "[    .    1    .    2]" 1 
       1580 1 108 LEU HA   1 108 LEU MD1  . . 4.540 3.902 3.814 3.979     .  0 0 "[    .    1    .    2]" 1 
       1581 1 108 LEU HA   1 108 LEU MD2  . . 3.370 2.421 2.104 3.144     .  0 0 "[    .    1    .    2]" 1 
       1582 1 108 LEU HA   1 109 VAL H    . . 3.100 2.169 2.150 2.210     .  0 0 "[    .    1    .    2]" 1 
       1583 1 108 LEU HA   1 110 PHE QD   . . 5.260 4.936 4.412 5.265 0.005 10 0 "[    .    1    .    2]" 1 
       1584 1 108 LEU HB2  1 108 LEU MD1  . . 3.430 2.235 1.992 2.448     .  0 0 "[    .    1    .    2]" 1 
       1585 1 108 LEU HB2  1 109 VAL H    . . 4.300 4.060 3.826 4.183     .  0 0 "[    .    1    .    2]" 1 
       1586 1 108 LEU HB2  1 110 PHE QD   . . 4.240 3.611 3.188 3.855     .  0 0 "[    .    1    .    2]" 1 
       1587 1 108 LEU HB2  1 110 PHE QE   . . 4.330 2.858 2.063 3.683     .  0 0 "[    .    1    .    2]" 1 
       1588 1 108 LEU HB3  1 108 LEU MD1  . . 3.530 2.484 2.213 2.941     .  0 0 "[    .    1    .    2]" 1 
       1589 1 108 LEU HB3  1 109 VAL H    . . 4.100 3.173 2.995 3.294     .  0 0 "[    .    1    .    2]" 1 
       1590 1 108 LEU HB3  1 110 PHE QD   . . 5.140 3.522 2.904 3.950     .  0 0 "[    .    1    .    2]" 1 
       1591 1 108 LEU HB3  1 110 PHE QE   . . 4.070 2.386 2.079 2.862     .  0 0 "[    .    1    .    2]" 1 
       1592 1 108 LEU MD1  1 110 PHE QD   . . 5.500 4.526 4.002 4.844     .  0 0 "[    .    1    .    2]" 1 
       1593 1 108 LEU MD1  1 110 PHE QE   . . 3.600 2.872 2.067 3.500     .  0 0 "[    .    1    .    2]" 1 
       1594 1 108 LEU MD1  1 110 PHE HZ   . . 5.500 3.938 2.671 4.861     .  0 0 "[    .    1    .    2]" 1 
       1595 1 108 LEU MD2  1 109 VAL H    . . 4.800 3.810 3.517 4.277     .  0 0 "[    .    1    .    2]" 1 
       1596 1 109 VAL H    1 109 VAL HB   . . 3.730 2.903 2.683 3.742 0.012 19 0 "[    .    1    .    2]" 1 
       1597 1 109 VAL H    1 109 VAL MG1  . . 3.800 3.727 2.733 3.865 0.065  6 0 "[    .    1    .    2]" 1 
       1598 1 109 VAL H    1 109 VAL QG   . . 3.280 2.146 1.946 2.429     .  0 0 "[    .    1    .    2]" 1 
       1599 1 109 VAL H    1 109 VAL MG2  . . 3.800 2.163 1.952 2.456     .  0 0 "[    .    1    .    2]" 1 
       1600 1 109 VAL H    1 110 PHE QD   . . 4.970 4.152 3.776 4.598     .  0 0 "[    .    1    .    2]" 1 
       1601 1 109 VAL HA   1 109 VAL MG1  . . 3.680 2.124 2.013 2.324     .  0 0 "[    .    1    .    2]" 1 
       1602 1 109 VAL HA   1 109 VAL MG2  . . 3.680 2.623 2.427 3.188     .  0 0 "[    .    1    .    2]" 1 
       1603 1 109 VAL HA   1 110 PHE H    . . 3.090 2.234 2.141 2.280     .  0 0 "[    .    1    .    2]" 1 
       1604 1 109 VAL HB   1 110 PHE H    . . 4.220 3.619 2.928 4.224 0.004  5 0 "[    .    1    .    2]" 1 
       1605 1 109 VAL QG   1 110 PHE H    . . 3.960 2.352 1.916 3.429     .  0 0 "[    .    1    .    2]" 1 
       1606 1 109 VAL QG   1 110 PHE HA   . . 4.540 3.864 3.673 4.103     .  0 0 "[    .    1    .    2]" 1 
       1607 1 109 VAL QG   1 111 GLU H    . . 5.440 4.655 4.427 4.867     .  0 0 "[    .    1    .    2]" 1 
       1608 1 109 VAL QG   1 111 GLU HA   . . 5.160 4.665 4.420 5.286 0.126 19 0 "[    .    1    .    2]" 1 
       1609 1 109 VAL MG1  1 110 PHE H    . . 4.820 2.414 1.920 3.938     .  0 0 "[    .    1    .    2]" 1 
       1610 1 109 VAL MG2  1 110 PHE H    . . 4.820 4.106 3.765 4.325     .  0 0 "[    .    1    .    2]" 1 
       1611 1 110 PHE H    1 110 PHE HB2  . . 4.060 2.674 2.423 2.794     .  0 0 "[    .    1    .    2]" 1 
       1612 1 110 PHE H    1 110 PHE QD   . . 4.240 3.311 2.953 3.753     .  0 0 "[    .    1    .    2]" 1 
       1613 1 110 PHE HA   1 110 PHE QD   . . 3.940 2.994 2.848 3.062     .  0 0 "[    .    1    .    2]" 1 
       1614 1 110 PHE HA   1 111 GLU H    . . 3.280 2.181 2.168 2.231     .  0 0 "[    .    1    .    2]" 1 
       1615 1 110 PHE HB2  1 111 GLU H    . . 4.710 4.265 4.158 4.353     .  0 0 "[    .    1    .    2]" 1 
       1616 1 110 PHE HB2  1 112 VAL MG2  . . 4.260 4.047 3.834 4.288 0.028  7 0 "[    .    1    .    2]" 1 
       1617 1 110 PHE HB3  1 111 GLU H    . . 4.050 3.173 2.966 3.282     .  0 0 "[    .    1    .    2]" 1 
       1618 1 110 PHE HB3  1 112 VAL MG1  . . 5.500 5.467 4.709 5.568 0.068  3 0 "[    .    1    .    2]" 1 
       1619 1 110 PHE HB3  1 112 VAL MG2  . . 4.020 3.463 3.225 3.701     .  0 0 "[    .    1    .    2]" 1 
       1620 1 110 PHE QD   1 111 GLU H    . . 4.240 3.818 3.423 4.026     .  0 0 "[    .    1    .    2]" 1 
       1621 1 111 GLU H    1 111 GLU HB2  . . 3.880 2.667 2.469 3.005     .  0 0 "[    .    1    .    2]" 1 
       1622 1 111 GLU H    1 111 GLU HB3  . . 3.880 2.643 2.382 2.889     .  0 0 "[    .    1    .    2]" 1 
       1623 1 111 GLU H    1 111 GLU HG2  . . 4.900 4.453 4.367 4.531     .  0 0 "[    .    1    .    2]" 1 
       1624 1 111 GLU H    1 111 GLU QG   . . 4.230 4.053 3.996 4.130     .  0 0 "[    .    1    .    2]" 1 
       1625 1 111 GLU H    1 111 GLU HG3  . . 4.900 4.663 4.544 4.774     .  0 0 "[    .    1    .    2]" 1 
       1626 1 111 GLU H    1 112 VAL MG2  . . 5.310 4.403 4.215 4.587     .  0 0 "[    .    1    .    2]" 1 
       1627 1 111 GLU HA   1 111 GLU QG   . . 3.500 2.337 2.148 2.523     .  0 0 "[    .    1    .    2]" 1 
       1628 1 111 GLU HA   1 112 VAL H    . . 3.030 2.151 2.138 2.237     .  0 0 "[    .    1    .    2]" 1 
       1629 1 111 GLU HA   1 112 VAL HB   . . 5.150 4.858 4.776 5.198 0.048 18 0 "[    .    1    .    2]" 1 
       1630 1 111 GLU HA   1 112 VAL MG2  . . 4.840 3.430 3.197 3.650     .  0 0 "[    .    1    .    2]" 1 
       1631 1 111 GLU QG   1 112 VAL H    . . 3.830 2.902 2.332 3.659     .  0 0 "[    .    1    .    2]" 1 
       1632 1 112 VAL H    1 112 VAL HB   . . 3.520 2.782 2.648 3.078     .  0 0 "[    .    1    .    2]" 1 
       1633 1 112 VAL H    1 112 VAL MG1  . . 4.470 3.863 3.765 3.958     .  0 0 "[    .    1    .    2]" 1 
       1634 1 112 VAL H    1 112 VAL MG2  . . 3.750 2.298 1.953 2.541     .  0 0 "[    .    1    .    2]" 1 
       1635 1 112 VAL H    1 113 GLU H    . . 4.770 4.417 4.277 4.486     .  0 0 "[    .    1    .    2]" 1 
       1636 1 112 VAL HA   1 113 GLU H    . . 3.080 2.155 2.143 2.176     .  0 0 "[    .    1    .    2]" 1 
       1637 1 112 VAL HB   1 113 GLU H    . . 5.500 3.997 3.702 4.144     .  0 0 "[    .    1    .    2]" 1 
       1638 1 112 VAL MG1  1 113 GLU H    . . 3.760 2.579 2.470 2.731     .  0 0 "[    .    1    .    2]" 1 
       1639 1 112 VAL MG2  1 113 GLU H    . . 4.620 4.206 4.126 4.367     .  0 0 "[    .    1    .    2]" 1 
       1640 1 113 GLU H    1 113 GLU HB2  . . 4.020 3.553 2.892 3.825     .  0 0 "[    .    1    .    2]" 1 
       1641 1 113 GLU H    1 113 GLU QB   . . 3.480 2.894 2.514 3.211     .  0 0 "[    .    1    .    2]" 1 
       1642 1 113 GLU H    1 113 GLU HB3  . . 4.020 3.145 2.594 3.877     .  0 0 "[    .    1    .    2]" 1 
       1643 1 113 GLU H    1 113 GLU HG2  . . 4.690 3.075 2.068 4.400     .  0 0 "[    .    1    .    2]" 1 
       1644 1 113 GLU H    1 113 GLU QG   . . 3.990 2.811 2.050 4.003 0.013 19 0 "[    .    1    .    2]" 1 
       1645 1 113 GLU H    1 113 GLU HG3  . . 4.690 3.633 2.232 4.635     .  0 0 "[    .    1    .    2]" 1 
       1646 1 113 GLU H    1 114 LEU H    . . 4.950 4.027 3.912 4.158     .  0 0 "[    .    1    .    2]" 1 
       1647 1 113 GLU H    1 115 LEU QD   . . 5.440 4.456 4.237 4.752     .  0 0 "[    .    1    .    2]" 1 
       1648 1 113 GLU HA   1 113 GLU QG   . . 3.660 2.984 2.485 3.369     .  0 0 "[    .    1    .    2]" 1 
       1649 1 113 GLU HA   1 114 LEU H    . . 3.140 2.158 2.139 2.181     .  0 0 "[    .    1    .    2]" 1 
       1650 1 114 LEU H    1 114 LEU HB2  . . 3.750 2.287 2.136 2.863     .  0 0 "[    .    1    .    2]" 1 
       1651 1 114 LEU H    1 114 LEU QB   . . 3.120 2.157 2.092 2.249     .  0 0 "[    .    1    .    2]" 1 
       1652 1 114 LEU H    1 114 LEU HB3  . . 3.750 2.833 2.297 2.992     .  0 0 "[    .    1    .    2]" 1 
       1653 1 114 LEU H    1 114 LEU MD1  . . 5.000 4.138 4.029 4.217     .  0 0 "[    .    1    .    2]" 1 
       1654 1 114 LEU H    1 114 LEU QD   . . 4.030 3.557 3.286 3.759     .  0 0 "[    .    1    .    2]" 1 
       1655 1 114 LEU H    1 114 LEU MD2  . . 5.000 3.930 3.436 4.309     .  0 0 "[    .    1    .    2]" 1 
       1656 1 114 LEU H    1 114 LEU HG   . . 4.830 4.409 4.062 4.639     .  0 0 "[    .    1    .    2]" 1 
       1657 1 114 LEU H    1 115 LEU H    . . 5.480 4.517 4.464 4.564     .  0 0 "[    .    1    .    2]" 1 
       1658 1 114 LEU HA   1 115 LEU H    . . 3.230 2.149 2.141 2.162     .  0 0 "[    .    1    .    2]" 1 
       1659 1 114 LEU HA   1 115 LEU QD   . . 3.420 3.373 2.941 3.470 0.050  8 0 "[    .    1    .    2]" 1 
       1660 1 114 LEU QD   1 115 LEU H    . . 3.410 2.139 1.876 2.637     .  0 0 "[    .    1    .    2]" 1 
       1661 1 114 LEU QD   1 116 ASP H    . . 3.450 2.176 1.889 2.488     .  0 0 "[    .    1    .    2]" 1 
       1662 1 114 LEU QD   1 117 VAL H    . . 4.270 3.715 3.010 4.157     .  0 0 "[    .    1    .    2]" 1 
       1663 1 114 LEU QD   1 117 VAL HA   . . 3.930 3.368 2.977 3.725     .  0 0 "[    .    1    .    2]" 1 
       1664 1 114 LEU HG   1 115 LEU H    . . 4.420 4.045 3.569 4.569 0.149 11 0 "[    .    1    .    2]" 1 
       1665 1 114 LEU HG   1 116 ASP H    . . 4.830 4.515 3.523 4.847 0.017 17 0 "[    .    1    .    2]" 1 
       1666 1 115 LEU H    1 115 LEU QB   . . 3.590 2.541 2.252 2.749     .  0 0 "[    .    1    .    2]" 1 
       1667 1 115 LEU H    1 115 LEU MD1  . . 4.400 3.107 1.999 3.996     .  0 0 "[    .    1    .    2]" 1 
       1668 1 115 LEU H    1 115 LEU QD   . . 3.560 2.572 1.994 2.900     .  0 0 "[    .    1    .    2]" 1 
       1669 1 115 LEU H    1 115 LEU MD2  . . 4.400 3.549 2.624 4.342     .  0 0 "[    .    1    .    2]" 1 
       1670 1 115 LEU H    1 115 LEU HG   . . 3.620 2.831 1.985 3.605     .  0 0 "[    .    1    .    2]" 1 
       1671 1 115 LEU H    1 116 ASP H    . . 3.340 2.282 2.115 2.475     .  0 0 "[    .    1    .    2]" 1 
       1672 1 115 LEU HA   1 115 LEU MD1  . . 4.120 3.665 3.298 3.940     .  0 0 "[    .    1    .    2]" 1 
       1673 1 115 LEU HA   1 115 LEU QD   . . 3.390 2.673 2.221 3.145     .  0 0 "[    .    1    .    2]" 1 
       1674 1 115 LEU HA   1 115 LEU MD2  . . 4.120 2.871 2.236 3.616     .  0 0 "[    .    1    .    2]" 1 
       1675 1 115 LEU QB   1 115 LEU MD1  . . 3.220 2.022 1.921 2.088     .  0 0 "[    .    1    .    2]" 1 
       1676 1 115 LEU QB   1 115 LEU QD   . . 2.760 1.849 1.733 1.949     .  0 0 "[    .    1    .    2]" 1 
       1677 1 115 LEU QB   1 115 LEU MD2  . . 3.220 2.156 1.930 2.366     .  0 0 "[    .    1    .    2]" 1 
       1678 1 115 LEU QB   1 116 ASP H    . . 3.450 2.447 2.225 2.676     .  0 0 "[    .    1    .    2]" 1 
       1679 1 115 LEU QB   1 116 ASP QB   . . 4.190 3.200 3.094 3.250     .  0 0 "[    .    1    .    2]" 1 
       1680 1 115 LEU QD   1 116 ASP H    . . 5.440 3.687 3.167 3.984     .  0 0 "[    .    1    .    2]" 1 
       1681 1 115 LEU HG   1 116 ASP H    . . 5.020 4.245 3.533 4.818     .  0 0 "[    .    1    .    2]" 1 
       1682 1 116 ASP H    1 116 ASP QB   . . 3.570 2.909 2.792 2.974     .  0 0 "[    .    1    .    2]" 1 
       1683 1 116 ASP HA   1 117 VAL H    . . 2.750 2.373 2.206 2.477     .  0 0 "[    .    1    .    2]" 1 
       1684 1 116 ASP HA   1 117 VAL QG   . . 4.490 3.302 3.208 3.396     .  0 0 "[    .    1    .    2]" 1 
       1685 1 116 ASP QB   1 117 VAL H    . . 3.700 3.217 2.707 3.586     .  0 0 "[    .    1    .    2]" 1 
       1686 1 116 ASP QB   1 117 VAL MG1  . . 5.500 4.854 4.521 5.510 0.010 14 0 "[    .    1    .    2]" 1 
       1687 1 116 ASP QB   1 117 VAL QG   . . 4.770 4.109 3.767 4.262     .  0 0 "[    .    1    .    2]" 1 
       1688 1 116 ASP QB   1 117 VAL MG2  . . 5.500 4.450 4.031 4.747     .  0 0 "[    .    1    .    2]" 1 
       1689 1 117 VAL H    1 117 VAL HB   . . 3.830 3.645 2.869 3.774     .  0 0 "[    .    1    .    2]" 1 
       1690 1 117 VAL H    1 117 VAL QG   . . 3.190 1.971 1.869 2.120     .  0 0 "[    .    1    .    2]" 1 
       1691 1 117 VAL HA   1 117 VAL QG   . . 3.120 2.246 2.111 2.327     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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