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
575822 2me9 19521 cing 4-filtered-FRED Wattos check violation distance


data_2me9


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              579
    _Distance_constraint_stats_list.Viol_count                    2609
    _Distance_constraint_stats_list.Viol_total                    6789.642
    _Distance_constraint_stats_list.Viol_max                      0.827
    _Distance_constraint_stats_list.Viol_rms                      0.0701
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0293
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1301
    _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 MET  6.626 0.521  7 1 "[    . +  1    .    2]" 
       1   5 SER  1.716 0.278 20 0 "[    .    1    .    2]" 
       1   6 GLN  3.679 0.521  7 1 "[    . +  1    .    2]" 
       1   7 SER  3.095 0.350  3 0 "[    .    1    .    2]" 
       1   8 ASN  0.000 0.000  . 0 "[    .    1    .    2]" 
       1   9 ARG  3.095 0.350  3 0 "[    .    1    .    2]" 
       1  10 GLU  9.551 0.368  9 0 "[    .    1    .    2]" 
       1  11 LEU  6.182 0.261  3 0 "[    .    1    .    2]" 
       1  12 VAL 16.860 0.342 10 0 "[    .    1    .    2]" 
       1  13 VAL  5.005 0.368  9 0 "[    .    1    .    2]" 
       1  14 ASP  9.849 0.314 14 0 "[    .    1    .    2]" 
       1  15 PHE  1.600 0.234  4 0 "[    .    1    .    2]" 
       1  16 LEU 27.519 0.377 20 0 "[    .    1    .    2]" 
       1  17 SER  7.598 0.312  8 0 "[    .    1    .    2]" 
       1  18 TYR 11.238 0.371 20 0 "[    .    1    .    2]" 
       1  19 LYS  1.657 0.137 19 0 "[    .    1    .    2]" 
       1  20 LEU 22.293 0.371 20 0 "[    .    1    .    2]" 
       1  21 SER  2.810 0.342 14 0 "[    .    1    .    2]" 
       1  22 GLN  7.476 0.454 13 0 "[    .    1    .    2]" 
       1  23 LYS  6.580 0.447 10 0 "[    .    1    .    2]" 
       1  24 GLY  5.786 0.454 13 0 "[    .    1    .    2]" 
       1  25 TYR  4.764 0.447 10 0 "[    .    1    .    2]" 
       1  26 SER  2.909 0.464 19 0 "[    .    1    .    2]" 
       1  27 TRP  2.749 0.341 18 0 "[    .    1    .    2]" 
       1  28 SER  0.906 0.464 19 0 "[    .    1    .    2]" 
       1  29 GLN  2.410 0.377 10 0 "[    .    1    .    2]" 
       1  30 PHE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  31 SER  0.822 0.134 10 0 "[    .    1    .    2]" 
       1  32 ASP  0.167 0.073  4 0 "[    .    1    .    2]" 
       1  33 VAL  0.831 0.213 15 0 "[    .    1    .    2]" 
       1  34 GLU  0.510 0.213 15 0 "[    .    1    .    2]" 
       1  35 GLU  0.221 0.092  1 0 "[    .    1    .    2]" 
       1  36 ASN  0.303 0.092  1 0 "[    .    1    .    2]" 
       1  37 ARG  0.107 0.077  7 0 "[    .    1    .    2]" 
       1  38 THR  0.050 0.050  4 0 "[    .    1    .    2]" 
       1  39 GLU  0.050 0.050  4 0 "[    .    1    .    2]" 
       1  43 GLY  0.034 0.034 16 0 "[    .    1    .    2]" 
       1  44 THR  0.039 0.034 16 0 "[    .    1    .    2]" 
       1  45 GLU  0.005 0.005  4 0 "[    .    1    .    2]" 
       1  46 SER  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  47 GLU  0.069 0.038 16 0 "[    .    1    .    2]" 
       1  48 MET  0.408 0.106 13 0 "[    .    1    .    2]" 
       1  49 GLU  1.255 0.281 11 0 "[    .    1    .    2]" 
       1  50 THR  0.854 0.281 11 0 "[    .    1    .    2]" 
       1  52 SER  1.133 0.187 16 0 "[    .    1    .    2]" 
       1  53 ALA  3.197 0.310 18 0 "[    .    1    .    2]" 
       1  54 ILE  1.872 0.221  6 0 "[    .    1    .    2]" 
       1  55 ASN  2.465 0.310 18 0 "[    .    1    .    2]" 
       1  56 GLY  0.309 0.110 20 0 "[    .    1    .    2]" 
       1  57 ASN  2.214 0.221  6 0 "[    .    1    .    2]" 
       1  59 SER  0.433 0.151  8 0 "[    .    1    .    2]" 
       1  60 TRP  1.006 0.264  8 0 "[    .    1    .    2]" 
       1  61 HIS  3.157 0.282 12 0 "[    .    1    .    2]" 
       1  62 LEU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  63 ALA  2.090 0.282 12 0 "[    .    1    .    2]" 
       1  64 ASP  0.205 0.104  4 0 "[    .    1    .    2]" 
       1  65 SER  0.205 0.104  4 0 "[    .    1    .    2]" 
       1  67 ALA  0.102 0.052 12 0 "[    .    1    .    2]" 
       1  68 VAL  0.102 0.052 12 0 "[    .    1    .    2]" 
       1  69 ASN  0.054 0.054 16 0 "[    .    1    .    2]" 
       1  70 GLY  0.209 0.082  8 0 "[    .    1    .    2]" 
       1  71 ALA  0.155 0.082  8 0 "[    .    1    .    2]" 
       1  73 GLY  0.189 0.060  9 0 "[    .    1    .    2]" 
       1  74 HIS  0.330 0.079  9 0 "[    .    1    .    2]" 
       1  75 SER  0.400 0.079  9 0 "[    .    1    .    2]" 
       1  76 SER  0.259 0.059  4 0 "[    .    1    .    2]" 
       1  82 GLU  0.465 0.193  3 0 "[    .    1    .    2]" 
       1  83 VAL  0.515 0.193  3 0 "[    .    1    .    2]" 
       1  84 ILE  0.339 0.284  1 0 "[    .    1    .    2]" 
       1  86 MET  0.284 0.284  1 0 "[    .    1    .    2]" 
       1  87 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  88 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  89 VAL  3.054 0.250 11 0 "[    .    1    .    2]" 
       1  90 LYS  0.755 0.245  4 0 "[    .    1    .    2]" 
       1  91 GLN  2.755 0.250 11 0 "[    .    1    .    2]" 
       1  92 ALA  5.891 0.449 14 0 "[    .    1    .    2]" 
       1  93 LEU  7.254 0.253 13 0 "[    .    1    .    2]" 
       1  94 ARG  4.922 0.449 14 0 "[    .    1    .    2]" 
       1  95 GLU  4.369 0.253 13 0 "[    .    1    .    2]" 
       1  96 ALA  9.190 0.340 19 0 "[    .    1    .    2]" 
       1  97 GLY  3.847 0.192  8 0 "[    .    1    .    2]" 
       1  98 ASP  8.548 0.340 19 0 "[    .    1    .    2]" 
       1  99 GLU  9.159 0.418 17 0 "[    .    1    .    2]" 
       1 100 PHE  2.865 0.261 20 0 "[    .    1    .    2]" 
       1 101 GLU 11.616 0.418 17 0 "[    .    1    .    2]" 
       1 102 LEU  0.893 0.198  2 0 "[    .    1    .    2]" 
       1 103 ARG  4.829 0.297  2 0 "[    .    1    .    2]" 
       1 104 TYR  0.893 0.198  2 0 "[    .    1    .    2]" 
       1 105 ARG  0.011 0.011 14 0 "[    .    1    .    2]" 
       1 106 ARG  0.393 0.192  8 0 "[    .    1    .    2]" 
       1 107 ALA  0.847 0.192  8 0 "[    .    1    .    2]" 
       1 108 PHE  0.465 0.151 18 0 "[    .    1    .    2]" 
       1 109 SER  2.775 0.292  5 0 "[    .    1    .    2]" 
       1 110 ASP  5.095 0.342 18 0 "[    .    1    .    2]" 
       1 111 LEU  3.491 0.292  5 0 "[    .    1    .    2]" 
       1 112 THR  3.979 0.342 18 0 "[    .    1    .    2]" 
       1 113 SER  1.426 0.190 20 0 "[    .    1    .    2]" 
       1 114 GLN  3.412 0.256 15 0 "[    .    1    .    2]" 
       1 115 LEU 10.139 0.368 17 0 "[    .    1    .    2]" 
       1 116 HIS  2.666 0.256 15 0 "[    .    1    .    2]" 
       1 117 ILE  9.278 0.368 17 0 "[    .    1    .    2]" 
       1 118 THR  0.086 0.080 10 0 "[    .    1    .    2]" 
       1 120 GLY  0.085 0.080 10 0 "[    .    1    .    2]" 
       1 121 THR  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 122 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 123 TYR  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 124 GLN  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 125 SER  1.217 0.194  7 0 "[    .    1    .    2]" 
       1 126 PHE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 127 GLU  1.217 0.194  7 0 "[    .    1    .    2]" 
       1 128 GLN  1.320 0.191 19 0 "[    .    1    .    2]" 
       1 129 VAL  2.273 0.220  1 0 "[    .    1    .    2]" 
       1 130 VAL  3.339 0.225  8 0 "[    .    1    .    2]" 
       1 131 ASN  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 132 GLU  4.056 0.279 19 0 "[    .    1    .    2]" 
       1 133 LEU  2.159 0.225  8 0 "[    .    1    .    2]" 
       1 134 PHE  4.961 0.279 19 0 "[    .    1    .    2]" 
       1 135 ARG  3.160 0.212  1 0 "[    .    1    .    2]" 
       1 136 ASP  1.679 0.201  9 0 "[    .    1    .    2]" 
       1 137 GLY  4.071 0.212  1 0 "[    .    1    .    2]" 
       1 138 VAL  6.113 0.326 13 0 "[    .    1    .    2]" 
       1 139 ASN  3.841 0.326 13 0 "[    .    1    .    2]" 
       1 140 TRP 11.881 0.386 19 0 "[    .    1    .    2]" 
       1 141 GLY  9.698 0.393 18 0 "[    .    1    .    2]" 
       1 142 ARG  3.556 0.386 19 0 "[    .    1    .    2]" 
       1 143 ILE 12.463 0.393 18 0 "[    .    1    .    2]" 
       1 144 VAL  0.090 0.045  3 0 "[    .    1    .    2]" 
       1 145 ALA  5.566 0.384  7 0 "[    .    1    .    2]" 
       1 146 PHE  3.728 0.254 17 0 "[    .    1    .    2]" 
       1 147 PHE  5.566 0.384  7 0 "[    .    1    .    2]" 
       1 148 SER  7.921 0.303 20 0 "[    .    1    .    2]" 
       1 149 PHE  5.614 0.294 20 0 "[    .    1    .    2]" 
       1 150 GLY  9.358 0.303 20 0 "[    .    1    .    2]" 
       1 151 GLY  5.073 0.294 20 0 "[    .    1    .    2]" 
       1 152 ALA  6.843 0.292 18 0 "[    .    1    .    2]" 
       1 153 LEU 10.860 0.639 18 1 "[    .    1    .  + 2]" 
       1 154 CYS  2.590 0.639 18 1 "[    .    1    .  + 2]" 
       1 155 VAL  5.329 0.364  9 0 "[    .    1    .    2]" 
       1 156 GLU  3.739 0.222  3 0 "[    .    1    .    2]" 
       1 157 SER  3.217 0.242 15 0 "[    .    1    .    2]" 
       1 158 VAL  3.045 0.374  3 0 "[    .    1    .    2]" 
       1 159 ASP  5.211 0.305  9 0 "[    .    1    .    2]" 
       1 160 LYS  3.182 0.544  2 2 "[ +  .    1-   .    2]" 
       1 161 GLU  4.695 0.352 17 0 "[    .    1    .    2]" 
       1 162 MET  6.906 0.544  2 2 "[ +  .    1-   .    2]" 
       1 163 GLN  5.509 0.490 17 0 "[    .    1    .    2]" 
       1 164 VAL  1.653 0.227  8 0 "[    .    1    .    2]" 
       1 165 LEU  4.594 0.378  4 0 "[    .    1    .    2]" 
       1 166 VAL  5.290 0.374  3 0 "[    .    1    .    2]" 
       1 167 SER  8.009 0.463  3 0 "[    .    1    .    2]" 
       1 168 ARG  5.480 0.275  1 0 "[    .    1    .    2]" 
       1 169 ILE 16.957 0.463  3 0 "[    .    1    .    2]" 
       1 170 ALA  2.311 0.223 19 0 "[    .    1    .    2]" 
       1 171 ALA  5.591 0.348 20 0 "[    .    1    .    2]" 
       1 172 TRP  2.573 0.205 13 0 "[    .    1    .    2]" 
       1 173 MET  6.745 0.409  7 0 "[    .    1    .    2]" 
       1 174 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 175 THR  7.990 0.409  7 0 "[    .    1    .    2]" 
       1 176 TYR  2.131 0.269  6 0 "[    .    1    .    2]" 
       1 177 LEU  9.520 0.256 18 0 "[    .    1    .    2]" 
       1 178 ASN  2.604 0.269  6 0 "[    .    1    .    2]" 
       1 179 ASP  1.480 0.151 16 0 "[    .    1    .    2]" 
       1 180 HIS  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 181 LEU  3.978 0.235  8 0 "[    .    1    .    2]" 
       1 182 GLU  0.235 0.172  1 0 "[    .    1    .    2]" 
       1 184 TRP  1.136 0.106 18 0 "[    .    1    .    2]" 
       1 185 ILE  7.767 0.340 13 0 "[    .    1    .    2]" 
       1 186 GLN  3.313 0.500 19 1 "[    .    1    .   +2]" 
       1 187 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 188 ASN  6.489 0.500 19 1 "[    .    1    .   +2]" 
       1 189 GLY  0.453 0.126 13 0 "[    .    1    .    2]" 
       1 190 GLY  3.556 0.369 19 0 "[    .    1    .    2]" 
       1 191 TRP  9.811 0.353  9 0 "[    .    1    .    2]" 
       1 192 ASP  5.253 0.332 20 0 "[    .    1    .    2]" 
       1 193 THR  4.626 0.353  9 0 "[    .    1    .    2]" 
       1 194 PHE  3.893 0.332 20 0 "[    .    1    .    2]" 
       1 195 VAL  2.767 0.201 17 0 "[    .    1    .    2]" 
       1 196 GLU  4.006 0.271  9 0 "[    .    1    .    2]" 
       1 197 LEU  4.426 0.276 19 0 "[    .    1    .    2]" 
       1 198 TYR  4.228 0.271  9 0 "[    .    1    .    2]" 
       1 199 GLY  2.800 0.276 19 0 "[    .    1    .    2]" 
       1 200 ASN  3.248 0.296  1 0 "[    .    1    .    2]" 
       1 201 ASN  1.774 0.296  1 0 "[    .    1    .    2]" 
       1 202 ALA  1.456 0.229 13 0 "[    .    1    .    2]" 
       1 203 ALA  3.991 0.827 17 2 "[    .    1    . +  -]" 
       1 204 ALA  1.008 0.156 13 0 "[    .    1    .    2]" 
       1 205 GLU  3.919 0.827 17 2 "[    .    1    . +  -]" 
       1 206 SER  0.985 0.158 17 0 "[    .    1    .    2]" 
       1 207 ARG  0.490 0.134 10 0 "[    .    1    .    2]" 
       1 208 LYS  0.371 0.164 20 0 "[    .    1    .    2]" 
       1 209 GLY  0.596 0.164 20 0 "[    .    1    .    2]" 
       1 210 GLN  0.474 0.171 19 0 "[    .    1    .    2]" 
       1 211 GLU  0.915 0.238  6 0 "[    .    1    .    2]" 
       1 212 ARG  0.665 0.238  6 0 "[    .    1    .    2]" 
    stop_

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

         1 1 128 GLN H   1 129 VAL H   . . 3.230 2.680 2.502 2.778     .  0 0 "[    .    1    .    2]" 1 
         2 1 129 VAL H   1 130 VAL H   . . 3.200 2.785 2.650 2.906     .  0 0 "[    .    1    .    2]" 1 
         3 1 186 GLN H   1 187 GLU H   . . 3.400 2.713 2.551 2.849     .  0 0 "[    .    1    .    2]" 1 
         4 1  16 LEU H   1  17 SER H   . . 2.700 2.809 2.733 2.918 0.218  9 0 "[    .    1    .    2]" 1 
         5 1  15 PHE H   1  16 LEU H   . . 2.730 2.766 2.565 2.886 0.156 19 0 "[    .    1    .    2]" 1 
         6 1  14 ASP H   1  16 LEU H   . . 3.790 3.982 3.810 4.104 0.314 14 0 "[    .    1    .    2]" 1 
         7 1  16 LEU H   1  18 TYR H   . . 3.680 3.850 3.744 3.980 0.300 14 0 "[    .    1    .    2]" 1 
         8 1 188 ASN H   1 189 GLY H   . . 3.230 2.794 1.865 3.356 0.126 13 0 "[    .    1    .    2]" 1 
         9 1 189 GLY H   1 190 GLY H   . . 2.870 2.368 1.897 2.983 0.113 20 0 "[    .    1    .    2]" 1 
        10 1  82 GLU H   1  83 VAL H   . . 4.130 3.744 2.815 4.323 0.193  3 0 "[    .    1    .    2]" 1 
        11 1  21 SER H   1  23 LYS H   . . 4.160 4.232 3.914 4.502 0.342 14 0 "[    .    1    .    2]" 1 
        12 1 177 LEU H   1 178 ASN H   . . 3.260 2.896 2.791 2.976     .  0 0 "[    .    1    .    2]" 1 
        13 1 177 LEU H   1 179 ASP H   . . 3.930 3.833 3.769 3.911     .  0 0 "[    .    1    .    2]" 1 
        14 1 176 TYR H   1 177 LEU H   . . 2.700 2.536 2.465 2.633     .  0 0 "[    .    1    .    2]" 1 
        15 1 175 THR H   1 177 LEU H   . . 3.820 3.912 3.770 4.046 0.226  1 0 "[    .    1    .    2]" 1 
        16 1  36 ASN H   1  37 ARG H   . . 3.340 2.705 1.971 3.417 0.077  7 0 "[    .    1    .    2]" 1 
        17 1  34 GLU H   1  35 GLU H   . . 3.620 3.003 2.128 3.629 0.009 18 0 "[    .    1    .    2]" 1 
        18 1 121 THR H   1 122 ALA H   . . 3.740 2.651 1.973 3.079     .  0 0 "[    .    1    .    2]" 1 
        19 1  53 ALA H   1  54 ILE H   . . 3.040 2.328 1.948 2.976     .  0 0 "[    .    1    .    2]" 1 
        20 1 195 VAL H   1 196 GLU H   . . 3.060 2.606 2.512 2.712     .  0 0 "[    .    1    .    2]" 1 
        21 1 140 TRP H   1 141 GLY H   . . 2.700 2.842 2.622 2.923 0.223 12 0 "[    .    1    .    2]" 1 
        22 1 139 ASN H   1 140 TRP H   . . 4.650 4.547 4.476 4.638     .  0 0 "[    .    1    .    2]" 1 
        23 1 140 TRP H   1 143 ILE H   . . 4.630 4.803 4.753 4.849 0.219  3 0 "[    .    1    .    2]" 1 
        24 1  17 SER H   1  20 LEU H   . . 4.500 4.723 4.588 4.812 0.312  8 0 "[    .    1    .    2]" 1 
        25 1  17 SER H   1  18 TYR H   . . 2.730 2.742 2.514 2.858 0.128 10 0 "[    .    1    .    2]" 1 
        26 1 100 PHE H   1 101 GLU H   . . 4.320 2.199 2.011 2.444     .  0 0 "[    .    1    .    2]" 1 
        27 1  93 LEU H   1  96 ALA H   . . 4.470 4.648 4.547 4.708 0.238 13 0 "[    .    1    .    2]" 1 
        28 1  92 ALA H   1  93 LEU H   . . 2.810 2.735 2.547 2.869 0.059 13 0 "[    .    1    .    2]" 1 
        29 1 206 SER H   1 207 ARG H   . . 2.700 2.542 1.903 2.834 0.134 10 0 "[    .    1    .    2]" 1 
        30 1 147 PHE H   1 148 SER H   . . 3.090 2.610 2.516 2.725     .  0 0 "[    .    1    .    2]" 1 
        31 1 145 ALA H   1 147 PHE H   . . 3.960 4.238 4.094 4.344 0.384  7 0 "[    .    1    .    2]" 1 
        32 1 146 PHE H   1 147 PHE H   . . 3.060 2.752 2.516 2.832     .  0 0 "[    .    1    .    2]" 1 
        33 1 163 GLN H   1 164 VAL H   . . 2.980 2.791 2.669 2.919     .  0 0 "[    .    1    .    2]" 1 
        34 1 161 GLU H   1 163 GLN H   . . 5.500 5.313 4.261 5.852 0.352 17 0 "[    .    1    .    2]" 1 
        35 1  30 PHE H   1  31 SER H   . . 4.460 2.403 1.998 2.711     .  0 0 "[    .    1    .    2]" 1 
        36 1  31 SER H   1  33 VAL H   . . 4.940 4.490 3.798 4.928     .  0 0 "[    .    1    .    2]" 1 
        37 1  31 SER H   1  32 ASP H   . . 3.540 2.805 2.460 3.373     .  0 0 "[    .    1    .    2]" 1 
        38 1 108 PHE H   1 109 SER H   . . 5.500 4.520 3.951 4.698     .  0 0 "[    .    1    .    2]" 1 
        39 1  44 THR H   1  45 GLU H   . . 3.430 2.667 1.953 3.435 0.005  4 0 "[    .    1    .    2]" 1 
        40 1 148 SER H   1 151 GLY H   . . 4.790 4.700 4.522 4.881 0.091 20 0 "[    .    1    .    2]" 1 
        41 1 140 TRP H   1 142 ARG H   . . 4.120 4.298 4.209 4.506 0.386 19 0 "[    .    1    .    2]" 1 
        42 1 141 GLY H   1 142 ARG H   . . 2.760 2.523 2.413 2.712     .  0 0 "[    .    1    .    2]" 1 
        43 1 139 ASN H   1 142 ARG H   . . 3.680 3.223 2.957 3.504     .  0 0 "[    .    1    .    2]" 1 
        44 1  88 ALA H   1  89 VAL H   . . 5.080 3.921 2.331 4.714     .  0 0 "[    .    1    .    2]" 1 
        45 1 152 ALA H   1 153 LEU H   . . 2.700 2.458 2.375 2.584     .  0 0 "[    .    1    .    2]" 1 
        46 1 184 TRP H   1 185 ILE H   . . 2.840 2.849 2.734 2.936 0.096 13 0 "[    .    1    .    2]" 1 
        47 1  14 ASP H   1  15 PHE H   . . 2.700 2.668 2.468 2.934 0.234  4 0 "[    .    1    .    2]" 1 
        48 1  61 HIS H   1  63 ALA H   . . 3.760 3.819 3.375 4.042 0.282 12 0 "[    .    1    .    2]" 1 
        49 1  62 LEU H   1  63 ALA H   . . 3.650 2.594 2.159 2.770     .  0 0 "[    .    1    .    2]" 1 
        50 1   7 SER H   1   9 ARG H   . . 4.040 4.189 3.975 4.390 0.350  3 0 "[    .    1    .    2]" 1 
        51 1   6 GLN H   1   7 SER H   . . 3.010 2.330 1.833 2.989     .  0 0 "[    .    1    .    2]" 1 
        52 1  38 THR H   1  39 GLU H   . . 2.700 2.408 2.048 2.750 0.050  4 0 "[    .    1    .    2]" 1 
        53 1 136 ASP H   1 137 GLY H   . . 2.700 2.260 1.964 2.770 0.070 19 0 "[    .    1    .    2]" 1 
        54 1 135 ARG H   1 137 GLY H   . . 3.710 3.868 3.781 3.922 0.212  1 0 "[    .    1    .    2]" 1 
        55 1  75 SER H   1  76 SER H   . . 2.700 2.572 1.948 2.759 0.059  4 0 "[    .    1    .    2]" 1 
        56 1 145 ALA H   1 146 PHE H   . . 3.370 2.604 2.443 2.862     .  0 0 "[    .    1    .    2]" 1 
        57 1 205 GLU H   1 206 SER H   . . 2.900 2.671 1.891 3.058 0.158 17 0 "[    .    1    .    2]" 1 
        58 1 114 GLN H   1 115 LEU H   . . 2.920 2.376 2.199 2.755     .  0 0 "[    .    1    .    2]" 1 
        59 1 114 GLN H   1 116 HIS H   . . 3.900 4.033 3.904 4.156 0.256 15 0 "[    .    1    .    2]" 1 
        60 1 113 SER H   1 114 GLN H   . . 2.700 2.474 2.361 2.668     .  0 0 "[    .    1    .    2]" 1 
        61 1 202 ALA H   1 203 ALA H   . . 2.700 2.728 2.523 2.929 0.229 13 0 "[    .    1    .    2]" 1 
        62 1 203 ALA H   1 204 ALA H   . . 2.700 2.434 2.028 2.835 0.135 17 0 "[    .    1    .    2]" 1 
        63 1 203 ALA H   1 205 GLU H   . . 2.700 2.813 2.568 3.527 0.827 17 2 "[    .    1    . +  -]" 1 
        64 1  68 VAL H   1  69 ASN H   . . 3.480 2.995 1.953 3.451     .  0 0 "[    .    1    .    2]" 1 
        65 1  67 ALA H   1  68 VAL H   . . 3.150 2.746 2.060 3.202 0.052 12 0 "[    .    1    .    2]" 1 
        66 1  91 GLN H   1  93 LEU H   . . 4.020 3.615 3.058 4.087 0.067 11 0 "[    .    1    .    2]" 1 
        67 1  89 VAL H   1  91 GLN H   . . 4.000 4.120 3.869 4.250 0.250 11 0 "[    .    1    .    2]" 1 
        68 1  90 LYS H   1  91 GLN H   . . 3.430 2.678 2.420 2.820     .  0 0 "[    .    1    .    2]" 1 
        69 1 132 GLU H   1 133 LEU H   . . 3.040 2.588 2.508 2.646     .  0 0 "[    .    1    .    2]" 1 
        70 1  52 SER H   1  53 ALA H   . . 2.700 2.541 1.909 2.887 0.187 16 0 "[    .    1    .    2]" 1 
        71 1 197 LEU H   1 200 ASN H   . . 4.410 4.490 4.224 4.603 0.193 18 0 "[    .    1    .    2]" 1 
        72 1 199 GLY H   1 200 ASN H   . . 3.370 2.210 1.914 2.613     .  0 0 "[    .    1    .    2]" 1 
        73 1 200 ASN H   1 201 ASN H   . . 2.700 2.704 2.198 2.996 0.296  1 0 "[    .    1    .    2]" 1 
        74 1  23 LYS H   1  25 TYR H   . . 3.230 3.256 2.784 3.677 0.447 10 0 "[    .    1    .    2]" 1 
        75 1  20 LEU H   1  23 LYS H   . . 5.000 5.032 4.739 5.233 0.233 18 0 "[    .    1    .    2]" 1 
        76 1  23 LYS H   1  24 GLY H   . . 2.950 2.032 1.864 2.274     .  0 0 "[    .    1    .    2]" 1 
        77 1  25 TYR H   1  27 TRP H   . . 4.660 4.276 3.644 4.820 0.160  5 0 "[    .    1    .    2]" 1 
        78 1  22 GLN H   1  25 TYR H   . . 6.200 4.761 4.307 5.667     .  0 0 "[    .    1    .    2]" 1 
        79 1  25 TYR H   1  26 SER H   . . 3.090 2.880 2.293 3.322 0.232  4 0 "[    .    1    .    2]" 1 
        80 1 187 GLU H   1 188 ASN H   . . 3.090 2.598 2.450 2.836     .  0 0 "[    .    1    .    2]" 1 
        81 1 188 ASN H   1 190 GLY H   . . 3.600 3.715 3.351 3.969 0.369 19 0 "[    .    1    .    2]" 1 
        82 1 208 LYS H   1 209 GLY H   . . 2.760 2.515 1.937 2.924 0.164 20 0 "[    .    1    .    2]" 1 
        83 1 196 GLU H   1 198 TYR H   . . 3.960 4.146 3.866 4.231 0.271  9 0 "[    .    1    .    2]" 1 
        84 1 197 LEU H   1 198 TYR H   . . 2.900 2.593 1.883 2.763     .  0 0 "[    .    1    .    2]" 1 
        85 1 105 ARG H   1 106 ARG H   . . 3.960 3.329 2.769 3.971 0.011 14 0 "[    .    1    .    2]" 1 
        86 1  87 ALA H   1  88 ALA H   . . 4.490 2.341 1.974 2.744     .  0 0 "[    .    1    .    2]" 1 
        87 1  64 ASP H   1  65 SER H   . . 2.700 2.412 1.993 2.804 0.104  4 0 "[    .    1    .    2]" 1 
        88 1 106 ARG H   1 107 ALA H   . . 2.920 2.617 1.860 3.112 0.192  8 0 "[    .    1    .    2]" 1 
        89 1  20 LEU H   1  21 SER H   . . 2.700 2.722 2.612 2.831 0.131  3 0 "[    .    1    .    2]" 1 
        90 1  18 TYR H   1  20 LEU H   . . 3.680 3.945 3.842 4.051 0.371 20 0 "[    .    1    .    2]" 1 
        91 1  93 LEU H   1  94 ARG H   . . 3.150 2.475 2.370 2.563     .  0 0 "[    .    1    .    2]" 1 
        92 1  94 ARG H   1  95 GLU H   . . 3.040 2.733 2.570 2.830     .  0 0 "[    .    1    .    2]" 1 
        93 1  92 ALA H   1  94 ARG H   . . 3.620 3.866 3.762 4.069 0.449 14 0 "[    .    1    .    2]" 1 
        94 1 166 VAL H   1 167 SER H   . . 3.040 2.822 2.696 2.964     .  0 0 "[    .    1    .    2]" 1 
        95 1 167 SER H   1 168 ARG H   . . 3.060 2.574 2.464 2.812     .  0 0 "[    .    1    .    2]" 1 
        96 1 179 ASP H   1 181 LEU H   . . 3.790 3.839 3.773 3.941 0.151 16 0 "[    .    1    .    2]" 1 
        97 1 181 LEU H   1 182 GLU H   . . 3.090 2.476 2.420 2.565     .  0 0 "[    .    1    .    2]" 1 
        98 1 133 LEU H   1 134 PHE H   . . 3.370 2.638 2.468 2.809     .  0 0 "[    .    1    .    2]" 1 
        99 1 134 PHE H   1 136 ASP H   . . 4.600 4.619 4.192 4.801 0.201  9 0 "[    .    1    .    2]" 1 
       100 1 134 PHE H   1 135 ARG H   . . 2.760 2.425 2.190 2.656     .  0 0 "[    .    1    .    2]" 1 
       101 1  43 GLY H   1  44 THR H   . . 3.650 3.307 2.192 3.684 0.034 16 0 "[    .    1    .    2]" 1 
       102 1 176 TYR H   1 178 ASN H   . . 4.410 4.517 4.421 4.679 0.269  6 0 "[    .    1    .    2]" 1 
       103 1 156 GLU H   1 158 VAL H   . . 4.040 4.089 3.927 4.262 0.222  3 0 "[    .    1    .    2]" 1 
       104 1 156 GLU H   1 157 SER H   . . 2.950 2.511 2.324 2.795     .  0 0 "[    .    1    .    2]" 1 
       105 1  29 GLN H   1  31 SER H   . . 3.650 3.682 3.573 3.784 0.134 10 0 "[    .    1    .    2]" 1 
       106 1  27 TRP H   1  29 GLN H   . . 5.140 3.919 2.694 4.553     .  0 0 "[    .    1    .    2]" 1 
       107 1  45 GLU H   1  46 SER H   . . 3.680 3.101 1.975 3.655     .  0 0 "[    .    1    .    2]" 1 
       108 1 162 MET H   1 163 GLN H   . . 3.800 3.771 2.740 4.290 0.490 17 0 "[    .    1    .    2]" 1 
       109 1 162 MET H   1 164 VAL H   . . 5.200 4.457 2.489 5.390 0.190 16 0 "[    .    1    .    2]" 1 
       110 1 161 GLU H   1 162 MET H   . . 2.900 2.181 1.672 2.782     .  0 0 "[    .    1    .    2]" 1 
       111 1  33 VAL H   1  34 GLU H   . . 2.700 2.445 1.913 2.913 0.213 15 0 "[    .    1    .    2]" 1 
       112 1  54 ILE H   1  57 ASN H   . . 4.350 4.216 3.508 4.571 0.221  6 0 "[    .    1    .    2]" 1 
       113 1 148 SER H   1 150 GLY H   . . 3.740 3.944 3.860 4.043 0.303 20 0 "[    .    1    .    2]" 1 
       114 1 150 GLY H   1 152 ALA H   . . 3.790 4.018 3.967 4.082 0.292 18 0 "[    .    1    .    2]" 1 
       115 1 157 SER H   1 158 VAL H   . . 2.980 2.788 2.627 2.932     .  0 0 "[    .    1    .    2]" 1 
       116 1  73 GLY H   1  74 HIS H   . . 3.880 3.329 1.979 3.940 0.060  9 0 "[    .    1    .    2]" 1 
       117 1 192 ASP H   1 194 PHE H   . . 3.850 4.031 3.896 4.182 0.332 20 0 "[    .    1    .    2]" 1 
       118 1 194 PHE H   1 195 VAL H   . . 3.040 2.557 2.431 2.788     .  0 0 "[    .    1    .    2]" 1 
       119 1  11 LEU H   1  13 VAL H   . . 4.000 4.119 4.012 4.261 0.261  3 0 "[    .    1    .    2]" 1 
       120 1  10 GLU H   1  11 LEU H   . . 3.010 2.579 2.479 2.677     .  0 0 "[    .    1    .    2]" 1 
       121 1 115 LEU H   1 117 ILE H   . . 4.940 5.006 4.515 5.207 0.267 15 0 "[    .    1    .    2]" 1 
       122 1 116 HIS H   1 117 ILE H   . . 3.600 3.022 2.757 3.525     .  0 0 "[    .    1    .    2]" 1 
       123 1 109 SER H   1 111 LEU H   . . 4.500 4.516 4.214 4.792 0.292  5 0 "[    .    1    .    2]" 1 
       124 1 111 LEU H   1 112 THR H   . . 3.060 2.771 2.639 2.848     .  0 0 "[    .    1    .    2]" 1 
       125 1 137 GLY H   1 138 VAL H   . . 4.180 4.086 2.243 4.287 0.107 16 0 "[    .    1    .    2]" 1 
       126 1 170 ALA H   1 172 TRP H   . . 4.440 4.402 3.864 4.645 0.205 13 0 "[    .    1    .    2]" 1 
       127 1 171 ALA H   1 172 TRP H   . . 3.120 2.760 2.600 2.909     .  0 0 "[    .    1    .    2]" 1 
       128 1 172 TRP H   1 173 MET H   . . 2.700 2.705 2.551 2.817 0.117 16 0 "[    .    1    .    2]" 1 
       129 1  32 ASP H   1  33 VAL H   . . 2.780 2.564 1.932 2.853 0.073  4 0 "[    .    1    .    2]" 1 
       130 1 193 THR H   1 195 VAL H   . . 4.070 4.186 4.066 4.271 0.201 17 0 "[    .    1    .    2]" 1 
       131 1 178 ASN H   1 179 ASP H   . . 2.700 2.689 2.534 2.816 0.116  1 0 "[    .    1    .    2]" 1 
       132 1 170 ALA H   1 171 ALA H   . . 3.260 2.633 2.528 2.792     .  0 0 "[    .    1    .    2]" 1 
       133 1  21 SER H   1  22 GLN H   . . 3.090 2.703 2.547 2.854     .  0 0 "[    .    1    .    2]" 1 
       134 1  22 GLN H   1  23 LYS H   . . 2.700 2.693 2.509 2.871 0.171  7 0 "[    .    1    .    2]" 1 
       135 1  20 LEU H   1  22 GLN H   . . 3.900 3.951 3.808 4.126 0.226  4 0 "[    .    1    .    2]" 1 
       136 1  22 GLN H   1  24 GLY H   . . 3.740 4.014 3.882 4.194 0.454 13 0 "[    .    1    .    2]" 1 
       137 1 167 SER H   1 169 ILE H   . . 4.000 4.261 4.151 4.463 0.463  3 0 "[    .    1    .    2]" 1 
       138 1 169 ILE H   1 170 ALA H   . . 3.150 2.747 2.600 2.883     .  0 0 "[    .    1    .    2]" 1 
       139 1  47 GLU H   1  49 GLU H   . . 4.880 4.464 3.355 4.918 0.038 16 0 "[    .    1    .    2]" 1 
       140 1  48 MET H   1  49 GLU H   . . 3.400 2.619 1.952 3.262     .  0 0 "[    .    1    .    2]" 1 
       141 1  13 VAL H   1  14 ASP H   . . 2.700 2.592 2.439 2.787 0.087 20 0 "[    .    1    .    2]" 1 
       142 1  94 ARG H   1  96 ALA H   . . 4.210 3.980 3.853 4.081     .  0 0 "[    .    1    .    2]" 1 
       143 1  96 ALA H   1  98 ASP H   . . 3.850 4.132 4.090 4.190 0.340 19 0 "[    .    1    .    2]" 1 
       144 1  56 GLY H   1  57 ASN H   . . 2.700 2.369 1.930 2.810 0.110 20 0 "[    .    1    .    2]" 1 
       145 1  55 ASN H   1  56 GLY H   . . 3.900 2.383 1.974 3.550     .  0 0 "[    .    1    .    2]" 1 
       146 1  74 HIS H   1  75 SER H   . . 3.600 2.687 2.005 3.679 0.079  9 0 "[    .    1    .    2]" 1 
       147 1 123 TYR H   1 124 GLN H   . . 3.120 2.785 2.622 2.965     .  0 0 "[    .    1    .    2]" 1 
       148 1 123 TYR H   1 125 SER H   . . 4.660 4.150 3.880 4.580     .  0 0 "[    .    1    .    2]" 1 
       149 1 164 VAL H   1 165 LEU H   . . 2.920 2.688 2.499 2.821     .  0 0 "[    .    1    .    2]" 1 
       150 1 165 LEU H   1 167 SER H   . . 3.820 3.690 2.800 4.198 0.378  4 0 "[    .    1    .    2]" 1 
       151 1 165 LEU H   1 166 VAL H   . . 2.980 2.215 1.785 2.530     .  0 0 "[    .    1    .    2]" 1 
       152 1 165 LEU H   1 168 ARG H   . . 5.220 4.666 3.806 5.276 0.056  3 0 "[    .    1    .    2]" 1 
       153 1 117 ILE H   1 118 THR H   . . 4.880 3.897 2.910 4.613     .  0 0 "[    .    1    .    2]" 1 
       154 1 118 THR H   1 120 GLY H   . . 5.050 4.747 4.301 5.130 0.080 10 0 "[    .    1    .    2]" 1 
       155 1  99 GLU H   1 101 GLU H   . . 3.570 3.909 3.833 3.988 0.418 17 0 "[    .    1    .    2]" 1 
       156 1 101 GLU H   1 103 ARG H   . . 3.320 3.561 3.502 3.617 0.297  2 0 "[    .    1    .    2]" 1 
       157 1  59 SER H   1  60 TRP H   . . 3.740 2.993 2.287 3.727     .  0 0 "[    .    1    .    2]" 1 
       158 1  49 GLU H   1  50 THR H   . . 2.700 2.617 2.127 2.981 0.281 11 0 "[    .    1    .    2]" 1 
       159 1  93 LEU H   1  95 GLU H   . . 4.160 4.295 4.027 4.413 0.253 13 0 "[    .    1    .    2]" 1 
       160 1  95 GLU H   1  96 ALA H   . . 3.090 2.573 2.515 2.656     .  0 0 "[    .    1    .    2]" 1 
       161 1 127 GLU H   1 128 GLN H   . . 3.230 2.626 2.544 2.852     .  0 0 "[    .    1    .    2]" 1 
       162 1 126 PHE H   1 127 GLU H   . . 3.710 2.724 2.640 2.817     .  0 0 "[    .    1    .    2]" 1 
       163 1 175 THR H   1 176 TYR H   . . 3.650 2.793 2.657 2.898     .  0 0 "[    .    1    .    2]" 1 
       164 1  27 TRP H   1  28 SER H   . . 3.510 2.779 2.055 3.673 0.163 17 0 "[    .    1    .    2]" 1 
       165 1  28 SER H   1  29 GLN H   . . 3.990 2.453 2.241 2.797     .  0 0 "[    .    1    .    2]" 1 
       166 1 148 SER H   1 149 PHE H   . . 3.180 2.656 2.586 2.714     .  0 0 "[    .    1    .    2]" 1 
       167 1 149 PHE H   1 152 ALA H   . . 4.550 4.664 4.604 4.725 0.175  8 0 "[    .    1    .    2]" 1 
       168 1 149 PHE H   1 150 GLY H   . . 3.150 2.608 2.560 2.692     .  0 0 "[    .    1    .    2]" 1 
       169 1 149 PHE H   1 151 GLY H   . . 3.990 4.156 3.967 4.284 0.294 20 0 "[    .    1    .    2]" 1 
       170 1  69 ASN H   1  70 GLY H   . . 3.650 2.811 1.996 3.704 0.054 16 0 "[    .    1    .    2]" 1 
       171 1  70 GLY H   1  71 ALA H   . . 3.820 3.413 2.539 3.902 0.082  8 0 "[    .    1    .    2]" 1 
       172 1 196 GLU H   1 197 LEU H   . . 2.700 2.598 2.412 2.804 0.104 20 0 "[    .    1    .    2]" 1 
       173 1 197 LEU H   1 199 GLY H   . . 3.960 4.029 3.067 4.236 0.276 19 0 "[    .    1    .    2]" 1 
       174 1  26 SER H   1  27 TRP H   . . 3.710 2.257 1.850 3.908 0.198 19 0 "[    .    1    .    2]" 1 
       175 1  26 SER H   1  29 GLN H   . . 4.100 4.066 3.184 4.477 0.377 10 0 "[    .    1    .    2]" 1 
       176 1  26 SER H   1  28 SER H   . . 4.490 3.511 2.459 4.954 0.464 19 0 "[    .    1    .    2]" 1 
       177 1 126 PHE H   1 128 GLN H   . . 5.280 4.098 3.888 4.550     .  0 0 "[    .    1    .    2]" 1 
       178 1 155 VAL H   1 156 GLU H   . . 2.700 2.704 2.460 2.901 0.201  2 0 "[    .    1    .    2]" 1 
       179 1 128 GLN H   1 130 VAL H   . . 4.070 4.077 3.889 4.261 0.191 19 0 "[    .    1    .    2]" 1 
       180 1 130 VAL H   1 131 ASN H   . . 3.340 2.563 2.392 2.732     .  0 0 "[    .    1    .    2]" 1 
       181 1  89 VAL H   1  90 LYS H   . . 3.290 2.610 2.390 3.034     .  0 0 "[    .    1    .    2]" 1 
       182 1 146 PHE H   1 148 SER H   . . 4.020 4.204 4.134 4.274 0.254 17 0 "[    .    1    .    2]" 1 
       183 1 112 THR H   1 115 LEU H   . . 5.140 4.654 4.485 5.132     .  0 0 "[    .    1    .    2]" 1 
       184 1 132 GLU H   1 134 PHE H   . . 3.650 3.821 3.740 3.929 0.279 19 0 "[    .    1    .    2]" 1 
       185 1 130 VAL H   1 132 GLU H   . . 4.130 4.047 3.584 4.239 0.109  8 0 "[    .    1    .    2]" 1 
       186 1   4 MET H   1   5 SER H   . . 2.700 2.521 1.943 2.978 0.278 20 0 "[    .    1    .    2]" 1 
       187 1  47 GLU H   1  48 MET H   . . 3.760 2.623 2.060 3.314     .  0 0 "[    .    1    .    2]" 1 
       188 1  60 TRP H   1  61 HIS H   . . 2.700 2.614 2.005 2.964 0.264  8 0 "[    .    1    .    2]" 1 
       189 1 180 HIS H   1 181 LEU H   . . 3.290 1.920 1.867 2.101     .  0 0 "[    .    1    .    2]" 1 
       190 1 179 ASP H   1 180 HIS H   . . 3.260 3.032 2.877 3.168     .  0 0 "[    .    1    .    2]" 1 
       191 1 112 THR H   1 114 GLN H   . . 3.850 3.873 3.764 3.985 0.135 13 0 "[    .    1    .    2]" 1 
       192 1   9 ARG H   1  10 GLU H   . . 3.370 2.746 2.524 2.892     .  0 0 "[    .    1    .    2]" 1 
       193 1   8 ASN H   1  10 GLU H   . . 4.550 4.124 3.854 4.491     .  0 0 "[    .    1    .    2]" 1 
       194 1  10 GLU H   1  12 VAL H   . . 4.100 4.270 4.011 4.442 0.342 10 0 "[    .    1    .    2]" 1 
       195 1 139 ASN H   1 141 GLY H   . . 4.490 4.601 4.449 4.709 0.219 16 0 "[    .    1    .    2]" 1 
       196 1 138 VAL H   1 139 ASN H   . . 3.480 3.485 3.093 3.806 0.326 13 0 "[    .    1    .    2]" 1 
       197 1 153 LEU H   1 154 CYS H   . . 2.700 2.519 2.332 2.800 0.100  5 0 "[    .    1    .    2]" 1 
       198 1  35 GLU H   1  36 ASN H   . . 3.600 3.027 2.130 3.692 0.092  1 0 "[    .    1    .    2]" 1 
       199 1  33 VAL H   1  35 GLU H   . . 5.500 4.904 3.920 5.589 0.089  7 0 "[    .    1    .    2]" 1 
       200 1  86 MET H   1  87 ALA H   . . 3.960 2.814 2.103 3.398     .  0 0 "[    .    1    .    2]" 1 
       201 1 124 GLN H   1 125 SER H   . . 3.760 2.777 2.628 2.943     .  0 0 "[    .    1    .    2]" 1 
       202 1  24 GLY H   1  25 TYR H   . . 2.840 2.384 1.783 3.034 0.194 17 0 "[    .    1    .    2]" 1 
       203 1  99 GLU H   1 100 PHE H   . . 3.340 2.692 2.643 2.746     .  0 0 "[    .    1    .    2]" 1 
       204 1  98 ASP H   1  99 GLU H   . . 2.700 2.641 2.600 2.698     .  0 0 "[    .    1    .    2]" 1 
       205 1  97 GLY H   1  99 GLU H   . . 3.850 3.969 3.898 4.042 0.192  8 0 "[    .    1    .    2]" 1 
       206 1 115 LEU H   1 116 HIS H   . . 3.120 2.672 2.154 3.107     .  0 0 "[    .    1    .    2]" 1 
       207 1   7 SER H   1   8 ASN H   . . 3.600 2.774 2.444 3.122     .  0 0 "[    .    1    .    2]" 1 
       208 1   8 ASN H   1   9 ARG H   . . 3.200 2.794 2.677 2.954     .  0 0 "[    .    1    .    2]" 1 
       209 1 131 ASN H   1 132 GLU H   . . 3.120 2.787 2.688 2.885     .  0 0 "[    .    1    .    2]" 1 
       210 1 154 CYS H   1 155 VAL H   . . 2.700 2.769 2.598 2.869 0.169 16 0 "[    .    1    .    2]" 1 
       211 1  19 LYS H   1  20 LEU H   . . 2.700 2.556 2.441 2.678     .  0 0 "[    .    1    .    2]" 1 
       212 1  18 TYR H   1  19 LYS H   . . 2.700 2.780 2.738 2.837 0.137 19 0 "[    .    1    .    2]" 1 
       213 1 144 VAL H   1 145 ALA H   . . 3.820 2.654 2.588 2.692     .  0 0 "[    .    1    .    2]" 1 
       214 1 151 GLY H   1 152 ALA H   . . 3.230 2.411 2.300 2.495     .  0 0 "[    .    1    .    2]" 1 
       215 1 150 GLY H   1 151 GLY H   . . 3.200 2.589 2.444 2.774     .  0 0 "[    .    1    .    2]" 1 
       216 1 151 GLY H   1 153 LEU H   . . 3.880 3.946 3.790 4.145 0.265 18 0 "[    .    1    .    2]" 1 
       217 1 190 GLY H   1 191 TRP H   . . 3.900 3.572 1.986 4.136 0.236 13 0 "[    .    1    .    2]" 1 
       218 1 159 ASP H   1 161 GLU H   . . 4.020 4.139 3.905 4.325 0.305  9 0 "[    .    1    .    2]" 1 
       219 1 174 ALA H   1 175 THR H   . . 3.460 2.746 2.576 2.838     .  0 0 "[    .    1    .    2]" 1 
       220 1 169 ILE H   1 171 ALA H   . . 4.210 4.222 4.038 4.431 0.221  7 0 "[    .    1    .    2]" 1 
       221 1  91 GLN H   1  92 ALA H   . . 3.320 2.068 1.956 2.303     .  0 0 "[    .    1    .    2]" 1 
       222 1  90 LYS H   1  92 ALA H   . . 4.260 4.205 3.902 4.505 0.245  4 0 "[    .    1    .    2]" 1 
       223 1 180 HIS H   1 182 GLU H   . . 3.740 3.566 3.468 3.736     .  0 0 "[    .    1    .    2]" 1 
       224 1 160 LYS H   1 162 MET H   . . 3.720 3.792 3.251 4.264 0.544  2 2 "[ +  .    1-   .    2]" 1 
       225 1 160 LYS H   1 161 GLU H   . . 2.900 2.360 2.148 2.794     .  0 0 "[    .    1    .    2]" 1 
       226 1 159 ASP H   1 160 LYS H   . . 2.950 2.571 2.483 2.666     .  0 0 "[    .    1    .    2]" 1 
       227 1  54 ILE H   1  55 ASN H   . . 3.370 2.346 2.007 3.185     .  0 0 "[    .    1    .    2]" 1 
       228 1  53 ALA H   1  55 ASN H   . . 3.650 3.619 2.843 3.960 0.310 18 0 "[    .    1    .    2]" 1 
       229 1  55 ASN H   1  57 ASN H   . . 3.990 3.555 2.823 4.210 0.220 11 0 "[    .    1    .    2]" 1 
       230 1 166 VAL H   1 168 ARG H   . . 4.040 4.177 4.035 4.291 0.251  2 0 "[    .    1    .    2]" 1 
       231 1   5 SER H   1   6 GLN H   . . 2.700 2.414 1.992 2.913 0.213  5 0 "[    .    1    .    2]" 1 
       232 1   4 MET H   1   6 GLN H   . . 2.810 2.954 2.611 3.331 0.521  7 1 "[    . +  1    .    2]" 1 
       233 1 158 VAL H   1 159 ASP H   . . 2.920 2.765 2.632 2.870     .  0 0 "[    .    1    .    2]" 1 
       234 1 157 SER H   1 159 ASP H   . . 4.100 4.227 4.040 4.342 0.242 15 0 "[    .    1    .    2]" 1 
       235 1 135 ARG H   1 136 ASP H   . . 2.980 2.701 2.195 2.959     .  0 0 "[    .    1    .    2]" 1 
       236 1 186 GLN H   1 188 ASN H   . . 3.790 3.950 3.729 4.290 0.500 19 1 "[    .    1    .   +2]" 1 
       237 1 185 ILE H   1 186 GLN H   . . 2.700 2.591 2.459 2.702 0.002  6 0 "[    .    1    .    2]" 1 
       238 1 168 ARG H   1 170 ALA H   . . 3.900 3.924 3.767 4.123 0.223 19 0 "[    .    1    .    2]" 1 
       239 1 168 ARG H   1 169 ILE H   . . 2.870 2.471 2.343 2.623     .  0 0 "[    .    1    .    2]" 1 
       240 1 198 TYR H   1 199 GLY H   . . 2.700 2.632 2.209 2.795 0.095  9 0 "[    .    1    .    2]" 1 
       241 1 125 SER H   1 127 GLU H   . . 3.820 3.874 3.740 4.014 0.194  7 0 "[    .    1    .    2]" 1 
       242 1 125 SER H   1 126 PHE H   . . 4.130 2.565 2.464 2.743     .  0 0 "[    .    1    .    2]" 1 
       243 1 141 GLY H   1 143 ILE H   . . 3.790 4.011 3.870 4.183 0.393 18 0 "[    .    1    .    2]" 1 
       244 1 142 ARG H   1 143 ILE H   . . 3.340 2.427 2.340 2.619     .  0 0 "[    .    1    .    2]" 1 
       245 1 139 ASN H   1 143 ILE H   . . 4.100 3.951 3.446 4.309 0.209 19 0 "[    .    1    .    2]" 1 
       246 1 143 ILE H   1 144 VAL H   . . 3.180 2.653 2.575 2.801     .  0 0 "[    .    1    .    2]" 1 
       247 1  57 ASN H   1  59 SER H   . . 5.500 5.254 3.808 5.651 0.151  8 0 "[    .    1    .    2]" 1 
       248 1  59 SER H   1  61 HIS H   . . 5.500 4.657 2.997 5.561 0.061 17 0 "[    .    1    .    2]" 1 
       249 1 109 SER H   1 110 ASP H   . . 4.300 4.385 4.320 4.522 0.222 19 0 "[    .    1    .    2]" 1 
       250 1 110 ASP H   1 111 LEU H   . . 2.700 2.522 2.331 2.823 0.123 16 0 "[    .    1    .    2]" 1 
       251 1  98 ASP H   1 100 PHE H   . . 4.160 4.303 4.259 4.421 0.261 20 0 "[    .    1    .    2]" 1 
       252 1  12 VAL H   1  14 ASP H   . . 3.850 4.081 4.003 4.152 0.302 13 0 "[    .    1    .    2]" 1 
       253 1  11 LEU H   1  12 VAL H   . . 2.700 2.702 2.512 2.845 0.145  4 0 "[    .    1    .    2]" 1 
       254 1  12 VAL H   1  13 VAL H   . . 2.980 2.566 2.430 2.724     .  0 0 "[    .    1    .    2]" 1 
       255 1 102 LEU H   1 103 ARG H   . . 2.700 2.531 2.451 2.688     .  0 0 "[    .    1    .    2]" 1 
       256 1 209 GLY H   1 210 GLN H   . . 3.460 2.969 2.040 3.555 0.095  5 0 "[    .    1    .    2]" 1 
       257 1 210 GLN H   1 211 GLU H   . . 3.370 2.894 2.321 3.541 0.171 19 0 "[    .    1    .    2]" 1 
       258 1 173 MET H   1 175 THR H   . . 3.620 3.923 3.827 4.029 0.409  7 0 "[    .    1    .    2]" 1 
       259 1  96 ALA H   1  97 GLY H   . . 3.040 2.676 2.612 2.742     .  0 0 "[    .    1    .    2]" 1 
       260 1  95 GLU H   1  97 GLY H   . . 4.070 4.141 4.027 4.208 0.138  3 0 "[    .    1    .    2]" 1 
       261 1  97 GLY H   1  98 ASP H   . . 3.150 2.506 2.422 2.591     .  0 0 "[    .    1    .    2]" 1 
       262 1 192 ASP H   1 193 THR H   . . 3.120 2.532 2.381 2.786     .  0 0 "[    .    1    .    2]" 1 
       263 1 193 THR H   1 194 PHE H   . . 2.810 2.564 2.426 2.774     .  0 0 "[    .    1    .    2]" 1 
       264 1 191 TRP H   1 193 THR H   . . 4.020 4.132 3.957 4.373 0.353  9 0 "[    .    1    .    2]" 1 
       265 1 104 TYR H   1 105 ARG H   . . 3.230 2.398 1.993 2.763     .  0 0 "[    .    1    .    2]" 1 
       266 1 103 ARG H   1 104 TYR H   . . 3.150 2.823 2.495 3.008     .  0 0 "[    .    1    .    2]" 1 
       267 1 100 PHE H   1 102 LEU H   . . 4.660 4.326 4.059 4.629     .  0 0 "[    .    1    .    2]" 1 
       268 1 101 GLU H   1 102 LEU H   . . 2.840 2.737 2.697 2.773     .  0 0 "[    .    1    .    2]" 1 
       269 1 211 GLU H   1 212 ARG H   . . 2.700 2.508 2.033 2.938 0.238  6 0 "[    .    1    .    2]" 1 
       270 1  83 VAL H   1  84 ILE H   . . 4.550 4.023 1.959 4.600 0.050 12 0 "[    .    1    .    2]" 1 
       271 1 191 TRP H   1 192 ASP H   . . 2.700 2.777 2.641 2.905 0.205  4 0 "[    .    1    .    2]" 1 
       272 1 204 ALA H   1 205 GLU H   . . 2.730 2.609 2.116 2.886 0.156 13 0 "[    .    1    .    2]" 1 
       273 1 113 SER H   1 115 LEU H   . . 4.000 4.069 3.961 4.190 0.190 20 0 "[    .    1    .    2]" 1 
       274 1 112 THR H   1 113 SER H   . . 3.480 2.680 2.427 2.903     .  0 0 "[    .    1    .    2]" 1 
       275 1 107 ALA H   1 108 PHE H   . . 3.570 3.251 2.744 3.721 0.151 18 0 "[    .    1    .    2]" 1 
       276 1 173 MET H   1 174 ALA H   . . 4.630 2.896 2.548 3.124     .  0 0 "[    .    1    .    2]" 1 
       277 1 201 ASN H   1 202 ALA H   . . 2.920 2.822 2.007 3.042 0.122 12 0 "[    .    1    .    2]" 1 
       278 1   4 MET H   1 191 TRP HE1 . . 4.740 4.857 4.745 5.061 0.321 13 0 "[    .    1    .    2]" 1 
       279 1 140 TRP HE1 1 188 ASN H   . . 5.500 5.480 5.363 5.683 0.183 19 0 "[    .    1    .    2]" 1 
       280 1 154 CYS HG  1 155 VAL H   . . 4.410 2.709 1.688 4.377     .  0 0 "[    .    1    .    2]" 1 
       281 1 138 VAL H   1 184 TRP HE1 . . 5.390 4.528 2.020 5.450 0.060  6 0 "[    .    1    .    2]" 1 
       282 1 153 LEU H   1 154 CYS HG  . . 5.160 4.175 3.554 5.799 0.639 18 1 "[    .    1    .  + 2]" 1 
       283 1 111 LEU MD2 1 129 VAL H   . . 6.210 5.670 4.271 6.274 0.064 15 0 "[    .    1    .    2]" 1 
       284 1 111 LEU MD1 1 129 VAL H   . . 6.210 5.703 4.703 6.301 0.091 12 0 "[    .    1    .    2]" 1 
       285 1  16 LEU H   1  16 LEU MD2 . . 5.460 3.914 3.139 4.326     .  0 0 "[    .    1    .    2]" 1 
       286 1  16 LEU H   1  16 LEU MD1 . . 5.460 3.397 2.339 3.901     .  0 0 "[    .    1    .    2]" 1 
       287 1  82 GLU H   1  83 VAL MG1 . . 6.520 5.166 3.436 6.183     .  0 0 "[    .    1    .    2]" 1 
       288 1  82 GLU H   1  83 VAL MG2 . . 6.520 4.609 2.852 6.246     .  0 0 "[    .    1    .    2]" 1 
       289 1 165 LEU MD1 1 172 TRP HE1 . . 6.520 6.020 4.378 6.666 0.146  7 0 "[    .    1    .    2]" 1 
       290 1 165 LEU MD2 1 172 TRP HE1 . . 6.520 6.045 4.459 6.683 0.163  6 0 "[    .    1    .    2]" 1 
       291 1  33 VAL MG2 1  34 GLU H   . . 5.040 3.567 2.100 4.401     .  0 0 "[    .    1    .    2]" 1 
       292 1  33 VAL MG1 1  34 GLU H   . . 5.040 3.777 2.440 4.434     .  0 0 "[    .    1    .    2]" 1 
       293 1 195 VAL MG1 1 196 GLU H   . . 5.260 3.315 2.143 4.057     .  0 0 "[    .    1    .    2]" 1 
       294 1 195 VAL MG2 1 196 GLU H   . . 5.260 3.737 2.105 4.044     .  0 0 "[    .    1    .    2]" 1 
       295 1  16 LEU MD2 1  17 SER H   . . 6.520 4.304 3.804 4.672     .  0 0 "[    .    1    .    2]" 1 
       296 1  16 LEU MD1 1  17 SER H   . . 6.520 4.406 4.118 4.838     .  0 0 "[    .    1    .    2]" 1 
       297 1  84 ILE MD  1  86 MET H   . . 6.490 5.235 3.145 6.774 0.284  1 0 "[    .    1    .    2]" 1 
       298 1 185 ILE MD  1 191 TRP HE1 . . 4.560 4.323 3.477 4.690 0.130 19 0 "[    .    1    .    2]" 1 
       299 1 163 GLN H   1 164 VAL MG2 . . 6.010 5.436 3.860 6.237 0.227  8 0 "[    .    1    .    2]" 1 
       300 1 163 GLN H   1 164 VAL MG1 . . 6.010 4.394 3.911 6.069 0.059  6 0 "[    .    1    .    2]" 1 
       301 1 184 TRP H   1 185 ILE MD  . . 6.180 5.139 4.819 5.748     .  0 0 "[    .    1    .    2]" 1 
       302 1  15 PHE H   1  16 LEU MD2 . . 6.520 5.950 5.001 6.499     .  0 0 "[    .    1    .    2]" 1 
       303 1  15 PHE H   1  16 LEU MD1 . . 6.520 5.305 4.224 6.105     .  0 0 "[    .    1    .    2]" 1 
       304 1 144 VAL MG1 1 145 ALA H   . . 5.400 3.081 2.154 4.092     .  0 0 "[    .    1    .    2]" 1 
       305 1 144 VAL MG2 1 145 ALA H   . . 5.400 3.875 2.199 4.106     .  0 0 "[    .    1    .    2]" 1 
       306 1 164 VAL H   1 164 VAL MG2 . . 4.450 3.294 1.990 3.932     .  0 0 "[    .    1    .    2]" 1 
       307 1 164 VAL H   1 164 VAL MG1 . . 4.450 2.451 2.038 3.790     .  0 0 "[    .    1    .    2]" 1 
       308 1 111 LEU MD2 1 114 GLN H   . . 6.520 4.981 3.931 6.102     .  0 0 "[    .    1    .    2]" 1 
       309 1 111 LEU MD1 1 114 GLN H   . . 6.520 5.087 3.633 6.370     .  0 0 "[    .    1    .    2]" 1 
       310 1 197 LEU MD2 1 200 ASN H   . . 6.520 5.300 3.885 6.496     .  0 0 "[    .    1    .    2]" 1 
       311 1 197 LEU MD1 1 200 ASN H   . . 6.520 5.100 3.317 6.511     .  0 0 "[    .    1    .    2]" 1 
       312 1  20 LEU MD2 1  25 TYR H   . . 6.520 5.492 3.669 6.686 0.166  1 0 "[    .    1    .    2]" 1 
       313 1  20 LEU MD1 1  25 TYR H   . . 6.520 5.634 3.776 6.753 0.233 11 0 "[    .    1    .    2]" 1 
       314 1 197 LEU MD2 1 198 TYR H   . . 6.270 4.713 3.095 5.456     .  0 0 "[    .    1    .    2]" 1 
       315 1 197 LEU MD1 1 198 TYR H   . . 6.270 4.823 3.924 5.517     .  0 0 "[    .    1    .    2]" 1 
       316 1  20 LEU H   1  20 LEU MD2 . . 5.230 3.409 2.292 4.094     .  0 0 "[    .    1    .    2]" 1 
       317 1  20 LEU H   1  20 LEU MD1 . . 5.230 3.069 2.397 4.190     .  0 0 "[    .    1    .    2]" 1 
       318 1  20 LEU MD2 1  27 TRP H   . . 6.520 5.859 4.183 6.861 0.341 18 0 "[    .    1    .    2]" 1 
       319 1  20 LEU MD1 1  27 TRP H   . . 6.520 5.911 3.133 6.727 0.207  5 0 "[    .    1    .    2]" 1 
       320 1 166 VAL MG2 1 167 SER H   . . 5.600 3.915 3.601 4.288     .  0 0 "[    .    1    .    2]" 1 
       321 1 166 VAL MG1 1 167 SER H   . . 5.600 2.882 2.075 3.843     .  0 0 "[    .    1    .    2]" 1 
       322 1 181 LEU H   1 185 ILE MD  . . 6.520 5.010 4.642 5.824     .  0 0 "[    .    1    .    2]" 1 
       323 1 133 LEU MD2 1 134 PHE H   . . 6.520 4.823 3.920 5.119     .  0 0 "[    .    1    .    2]" 1 
       324 1 133 LEU MD1 1 134 PHE H   . . 6.520 4.603 4.211 5.014     .  0 0 "[    .    1    .    2]" 1 
       325 1 156 GLU H   1 169 ILE MD  . . 5.600 5.571 4.996 5.801 0.201 18 0 "[    .    1    .    2]" 1 
       326 1  33 VAL H   1  33 VAL MG2 . . 4.110 2.791 2.040 3.967     .  0 0 "[    .    1    .    2]" 1 
       327 1  33 VAL H   1  33 VAL MG1 . . 4.110 3.432 2.102 4.062     .  0 0 "[    .    1    .    2]" 1 
       328 1  16 LEU MD2 1 150 GLY H   . . 6.520 5.952 4.704 6.624 0.104 11 0 "[    .    1    .    2]" 1 
       329 1  16 LEU MD1 1 150 GLY H   . . 6.520 5.415 4.322 6.612 0.092  4 0 "[    .    1    .    2]" 1 
       330 1  12 VAL MG2 1  14 ASP H   . . 5.960 5.082 4.301 5.709     .  0 0 "[    .    1    .    2]" 1 
       331 1  12 VAL MG1 1  14 ASP H   . . 5.960 4.784 4.284 5.542     .  0 0 "[    .    1    .    2]" 1 
       332 1 194 PHE H   1 195 VAL MG1 . . 5.900 5.397 3.836 5.942 0.042  7 0 "[    .    1    .    2]" 1 
       333 1 194 PHE H   1 195 VAL MG2 . . 5.900 4.388 3.847 6.081 0.181 20 0 "[    .    1    .    2]" 1 
       334 1 117 ILE H   1 117 ILE MD  . . 5.180 3.777 3.001 4.519     .  0 0 "[    .    1    .    2]" 1 
       335 1 111 LEU H   1 111 LEU MD2 . . 5.820 4.028 3.171 4.471     .  0 0 "[    .    1    .    2]" 1 
       336 1 111 LEU H   1 111 LEU MD1 . . 5.820 3.931 3.257 4.369     .  0 0 "[    .    1    .    2]" 1 
       337 1 128 GLN H   1 129 VAL MG2 . . 6.460 4.323 3.579 5.959     .  0 0 "[    .    1    .    2]" 1 
       338 1 128 GLN H   1 129 VAL MG1 . . 6.460 4.707 3.597 5.953     .  0 0 "[    .    1    .    2]" 1 
       339 1  32 ASP H   1  33 VAL MG2 . . 6.520 3.967 2.580 6.215     .  0 0 "[    .    1    .    2]" 1 
       340 1  32 ASP H   1  33 VAL MG1 . . 6.520 4.910 2.684 6.325     .  0 0 "[    .    1    .    2]" 1 
       341 1 195 VAL H   1 195 VAL MG1 . . 4.590 3.398 2.102 3.807     .  0 0 "[    .    1    .    2]" 1 
       342 1 195 VAL H   1 195 VAL MG2 . . 4.590 2.507 2.067 3.801     .  0 0 "[    .    1    .    2]" 1 
       343 1  16 LEU MD2 1 170 ALA H   . . 5.990 4.020 2.953 5.412     .  0 0 "[    .    1    .    2]" 1 
       344 1 169 ILE MD  1 170 ALA H   . . 5.880 4.222 3.333 5.024     .  0 0 "[    .    1    .    2]" 1 
       345 1  16 LEU MD1 1 170 ALA H   . . 5.990 4.514 2.638 5.387     .  0 0 "[    .    1    .    2]" 1 
       346 1 169 ILE H   1 169 ILE MD  . . 4.760 3.924 3.394 4.436     .  0 0 "[    .    1    .    2]" 1 
       347 1 117 ILE MD  1 169 ILE H   . . 5.480 4.936 4.092 5.655 0.175 19 0 "[    .    1    .    2]" 1 
       348 1  49 GLU H   1  54 ILE MD  . . 6.380 5.388 2.631 6.520 0.140 20 0 "[    .    1    .    2]" 1 
       349 1  13 VAL H   1  13 VAL MG1 . . 4.060 3.145 2.182 3.737     .  0 0 "[    .    1    .    2]" 1 
       350 1  13 VAL H   1  13 VAL MG2 . . 4.060 2.361 1.939 2.808     .  0 0 "[    .    1    .    2]" 1 
       351 1 164 VAL MG2 1 165 LEU H   . . 5.090 3.826 2.313 4.365     .  0 0 "[    .    1    .    2]" 1 
       352 1 165 LEU H   1 165 LEU MD1 . . 5.540 4.260 3.399 4.673     .  0 0 "[    .    1    .    2]" 1 
       353 1 164 VAL MG1 1 165 LEU H   . . 5.090 3.047 2.105 4.352     .  0 0 "[    .    1    .    2]" 1 
       354 1 165 LEU H   1 165 LEU MD2 . . 5.540 4.144 3.611 4.902     .  0 0 "[    .    1    .    2]" 1 
       355 1 153 LEU MD1 1 155 VAL H   . . 5.870 5.308 4.415 6.234 0.364  9 0 "[    .    1    .    2]" 1 
       356 1 155 VAL H   1 169 ILE MD  . . 6.520 4.824 4.276 5.526     .  0 0 "[    .    1    .    2]" 1 
       357 1 153 LEU MD2 1 155 VAL H   . . 5.870 5.309 4.581 6.026 0.156  4 0 "[    .    1    .    2]" 1 
       358 1 111 LEU MD2 1 130 VAL H   . . 6.100 5.909 5.113 6.172 0.072 15 0 "[    .    1    .    2]" 1 
       359 1 129 VAL MG2 1 130 VAL H   . . 6.070 3.045 2.092 4.099     .  0 0 "[    .    1    .    2]" 1 
       360 1 111 LEU MD1 1 130 VAL H   . . 6.100 5.929 5.450 6.254 0.154  4 0 "[    .    1    .    2]" 1 
       361 1 129 VAL MG1 1 130 VAL H   . . 6.070 3.418 2.041 4.083     .  0 0 "[    .    1    .    2]" 1 
       362 1 111 LEU MD2 1 115 LEU H   . . 6.010 4.483 3.369 5.906     .  0 0 "[    .    1    .    2]" 1 
       363 1 111 LEU MD1 1 115 LEU H   . . 6.010 4.660 2.846 5.976     .  0 0 "[    .    1    .    2]" 1 
       364 1  10 GLU H   1  13 VAL MG1 . . 5.500 5.378 4.554 5.868 0.368  9 0 "[    .    1    .    2]" 1 
       365 1  10 GLU H   1 185 ILE MD  . . 6.300 6.502 6.345 6.640 0.340 13 0 "[    .    1    .    2]" 1 
       366 1  10 GLU H   1  13 VAL MG2 . . 5.370 4.561 4.090 4.946     .  0 0 "[    .    1    .    2]" 1 
       367 1 138 VAL MG1 1 139 ASN H   . . 5.040 4.007 3.183 4.333     .  0 0 "[    .    1    .    2]" 1 
       368 1 138 VAL MG2 1 139 ASN H   . . 5.040 3.831 3.341 4.349     .  0 0 "[    .    1    .    2]" 1 
       369 1 185 ILE H   1 185 ILE MD  . . 5.850 3.307 3.056 3.679     .  0 0 "[    .    1    .    2]" 1 
       370 1 153 LEU MD1 1 157 SER H   . . 6.520 4.286 3.402 5.418     .  0 0 "[    .    1    .    2]" 1 
       371 1 157 SER H   1 169 ILE MD  . . 5.370 4.887 4.210 5.604 0.234 14 0 "[    .    1    .    2]" 1 
       372 1 153 LEU MD2 1 157 SER H   . . 6.520 4.601 2.757 6.597 0.077 18 0 "[    .    1    .    2]" 1 
       373 1 140 TRP HE1 1 143 ILE MD  . . 6.400 6.390 5.812 6.554 0.154  6 0 "[    .    1    .    2]" 1 
       374 1 153 LEU MD1 1 154 CYS H   . . 5.850 3.870 2.676 5.389     .  0 0 "[    .    1    .    2]" 1 
       375 1 154 CYS H   1 169 ILE MD  . . 4.780 2.996 2.132 3.799     .  0 0 "[    .    1    .    2]" 1 
       376 1 153 LEU MD2 1 154 CYS H   . . 5.850 3.751 2.425 4.378     .  0 0 "[    .    1    .    2]" 1 
       377 1  19 LYS H   1  20 LEU MD2 . . 6.180 5.085 3.758 5.918     .  0 0 "[    .    1    .    2]" 1 
       378 1  19 LYS H   1  20 LEU MD1 . . 6.180 4.696 3.918 6.242 0.062 14 0 "[    .    1    .    2]" 1 
       379 1  16 LEU MD2 1 151 GLY H   . . 6.020 4.971 3.426 6.032 0.012 18 0 "[    .    1    .    2]" 1 
       380 1  16 LEU MD1 1 151 GLY H   . . 6.020 4.502 3.035 5.943     .  0 0 "[    .    1    .    2]" 1 
       381 1  16 LEU MD2 1 171 ALA H   . . 6.520 5.603 4.533 6.868 0.348 20 0 "[    .    1    .    2]" 1 
       382 1  16 LEU MD1 1 171 ALA H   . . 6.520 5.932 4.434 6.865 0.345 14 0 "[    .    1    .    2]" 1 
       383 1 177 LEU MD1 1 182 GLU H   . . 6.520 6.220 5.700 6.692 0.172  1 0 "[    .    1    .    2]" 1 
       384 1 181 LEU MD2 1 182 GLU H   . . 6.520 4.728 4.413 5.263     .  0 0 "[    .    1    .    2]" 1 
       385 1 177 LEU MD2 1 182 GLU H   . . 6.520 5.490 5.041 5.914     .  0 0 "[    .    1    .    2]" 1 
       386 1 182 GLU H   1 185 ILE MD  . . 6.350 4.450 4.088 5.124     .  0 0 "[    .    1    .    2]" 1 
       387 1 181 LEU MD1 1 182 GLU H   . . 6.520 4.845 4.316 5.290     .  0 0 "[    .    1    .    2]" 1 
       388 1 158 VAL MG1 1 160 LYS H   . . 6.520 4.691 4.024 5.646     .  0 0 "[    .    1    .    2]" 1 
       389 1 158 VAL MG2 1 160 LYS H   . . 6.520 4.976 4.021 5.768     .  0 0 "[    .    1    .    2]" 1 
       390 1 158 VAL MG1 1 159 ASP H   . . 5.930 3.157 1.906 4.085     .  0 0 "[    .    1    .    2]" 1 
       391 1 158 VAL MG2 1 159 ASP H   . . 5.930 3.620 2.006 4.248     .  0 0 "[    .    1    .    2]" 1 
       392 1 185 ILE MD  1 186 GLN H   . . 6.520 4.487 4.035 4.879     .  0 0 "[    .    1    .    2]" 1 
       393 1 168 ARG H   1 169 ILE MD  . . 6.020 5.507 4.718 6.295 0.275  1 0 "[    .    1    .    2]" 1 
       394 1 197 LEU MD2 1 199 GLY H   . . 6.520 5.561 4.867 6.274     .  0 0 "[    .    1    .    2]" 1 
       395 1 197 LEU MD1 1 199 GLY H   . . 6.520 5.579 4.600 6.512     .  0 0 "[    .    1    .    2]" 1 
       396 1 143 ILE H   1 143 ILE MD  . . 5.340 3.943 2.694 4.252     .  0 0 "[    .    1    .    2]" 1 
       397 1  48 MET H   1  54 ILE MD  . . 6.520 6.024 3.936 6.626 0.106 13 0 "[    .    1    .    2]" 1 
       398 1  84 ILE H   1  84 ILE MD  . . 4.450 3.379 2.021 4.455 0.005  2 0 "[    .    1    .    2]" 1 
       399 1  16 LEU MD2 1  20 LEU MD2 . . 4.200 3.562 2.257 4.348 0.148 16 0 "[    .    1    .    2]" 1 
       400 1 158 VAL MG1 1 166 VAL MG2 . . 4.340 3.641 2.021 4.467 0.127 11 0 "[    .    1    .    2]" 1 
       401 1 158 VAL MG2 1 166 VAL MG2 . . 4.340 2.863 1.876 4.345 0.005 13 0 "[    .    1    .    2]" 1 
       402 1 153 LEU MD1 1 169 ILE MD  . . 3.860 2.846 1.810 4.012 0.152 16 0 "[    .    1    .    2]" 1 
       403 1 117 ILE MD  1 153 LEU MD1 . . 2.840 2.066 1.782 3.106 0.266 17 0 "[    .    1    .    2]" 1 
       404 1 177 LEU MD1 1 181 LEU MD1 . . 5.170 3.166 1.939 4.375     .  0 0 "[    .    1    .    2]" 1 
       405 1 111 LEU MD2 1 133 LEU MD1 . . 3.580 2.791 1.801 3.684 0.104  6 0 "[    .    1    .    2]" 1 
       406 1 177 LEU MD1 1 181 LEU MD2 . . 5.170 3.580 1.926 4.516     .  0 0 "[    .    1    .    2]" 1 
       407 1 181 LEU MD2 1 185 ILE MD  . . 4.220 3.350 2.044 4.315 0.095 19 0 "[    .    1    .    2]" 1 
       408 1 143 ILE MD  1 181 LEU MD2 . . 3.660 3.067 2.024 3.895 0.235  8 0 "[    .    1    .    2]" 1 
       409 1 115 LEU MD2 1 129 VAL MG2 . . 3.150 2.793 2.003 3.358 0.208 17 0 "[    .    1    .    2]" 1 
       410 1  11 LEU MD2 1  93 LEU MD2 . . 4.230 2.995 2.036 4.333 0.103  4 0 "[    .    1    .    2]" 1 
       411 1  12 VAL MG2 1  16 LEU MD2 . . 4.500 4.251 3.403 4.707 0.207 20 0 "[    .    1    .    2]" 1 
       412 1  12 VAL MG1 1  16 LEU MD2 . . 4.500 4.577 4.077 4.728 0.228 14 0 "[    .    1    .    2]" 1 
       413 1  16 LEU MD2 1 169 ILE MD  . . 3.750 3.435 2.738 3.948 0.198 14 0 "[    .    1    .    2]" 1 
       414 1 153 LEU MD2 1 169 ILE MD  . . 3.860 2.747 1.780 4.006 0.146  7 0 "[    .    1    .    2]" 1 
       415 1  12 VAL MG2 1 177 LEU MD1 . . 3.150 2.843 2.165 3.372 0.222  4 0 "[    .    1    .    2]" 1 
       416 1  12 VAL MG2 1 177 LEU MD2 . . 3.150 3.061 2.281 3.395 0.245  9 0 "[    .    1    .    2]" 1 
       417 1 117 ILE MD  1 165 LEU MD1 . . 3.620 2.563 1.796 3.778 0.158  4 0 "[    .    1    .    2]" 1 
       418 1 158 VAL MG1 1 166 VAL MG1 . . 4.340 4.059 2.680 4.714 0.374  3 0 "[    .    1    .    2]" 1 
       419 1 115 LEU MD2 1 153 LEU MD2 . . 3.510 2.822 1.851 3.772 0.262 13 0 "[    .    1    .    2]" 1 
       420 1 117 ILE MD  1 153 LEU MD2 . . 2.840 2.378 1.771 3.121 0.281 14 0 "[    .    1    .    2]" 1 
       421 1 177 LEU MD2 1 181 LEU MD2 . . 5.170 4.595 2.816 5.366 0.196 19 0 "[    .    1    .    2]" 1 
       422 1 177 LEU MD2 1 185 ILE MD  . . 3.470 2.518 1.893 3.367     .  0 0 "[    .    1    .    2]" 1 
       423 1 177 LEU MD2 1 181 LEU MD1 . . 5.170 4.134 2.913 5.206 0.036  2 0 "[    .    1    .    2]" 1 
       424 1  12 VAL MG1 1 177 LEU MD2 . . 3.150 2.676 2.005 3.356 0.206 16 0 "[    .    1    .    2]" 1 
       425 1 111 LEU MD1 1 133 LEU MD2 . . 3.580 3.055 1.933 3.743 0.163  7 0 "[    .    1    .    2]" 1 
       426 1 111 LEU MD2 1 133 LEU MD2 . . 3.580 3.151 2.040 3.736 0.156 13 0 "[    .    1    .    2]" 1 
       427 1 115 LEU MD1 1 153 LEU MD1 . . 3.510 2.862 1.820 3.720 0.210 10 0 "[    .    1    .    2]" 1 
       428 1 115 LEU MD1 1 129 VAL MG2 . . 3.150 2.560 1.854 3.223 0.073 19 0 "[    .    1    .    2]" 1 
       429 1 115 LEU MD1 1 153 LEU MD2 . . 3.510 2.903 1.857 3.621 0.111  9 0 "[    .    1    .    2]" 1 
       430 1 177 LEU MD1 1 185 ILE MD  . . 3.470 3.345 2.281 3.607 0.137 10 0 "[    .    1    .    2]" 1 
       431 1 181 LEU MD1 1 185 ILE MD  . . 4.220 2.907 2.013 4.367 0.147 11 0 "[    .    1    .    2]" 1 
       432 1  11 LEU MD2 1  93 LEU MD1 . . 4.230 3.102 2.026 4.327 0.097 11 0 "[    .    1    .    2]" 1 
       433 1  11 LEU MD1 1  93 LEU MD1 . . 4.230 3.153 1.920 4.339 0.109  8 0 "[    .    1    .    2]" 1 
       434 1  16 LEU MD2 1  20 LEU MD1 . . 4.200 3.539 2.634 4.290 0.090 17 0 "[    .    1    .    2]" 1 
       435 1  16 LEU MD1 1  20 LEU MD1 . . 4.200 4.062 3.140 4.482 0.282  7 0 "[    .    1    .    2]" 1 
       436 1 158 VAL MG2 1 166 VAL MG1 . . 4.340 3.404 2.075 4.431 0.091  5 0 "[    .    1    .    2]" 1 
       437 1 138 VAL MG1 1 181 LEU MD2 . . 4.920 2.311 1.784 3.767     .  0 0 "[    .    1    .    2]" 1 
       438 1 138 VAL MG1 1 181 LEU MD1 . . 4.920 2.588 1.805 4.192     .  0 0 "[    .    1    .    2]" 1 
       439 1 111 LEU MD1 1 133 LEU MD1 . . 3.580 2.754 1.855 3.697 0.117  3 0 "[    .    1    .    2]" 1 
       440 1  11 LEU MD1 1  93 LEU MD2 . . 4.230 2.985 1.864 4.179     .  0 0 "[    .    1    .    2]" 1 
       441 1 115 LEU MD2 1 153 LEU MD1 . . 3.510 2.911 2.013 3.681 0.171  3 0 "[    .    1    .    2]" 1 
       442 1 115 LEU MD2 1 117 ILE MD  . . 2.600 2.401 1.846 2.958 0.358 10 0 "[    .    1    .    2]" 1 
       443 1 143 ILE MD  1 185 ILE MD  . . 3.030 2.324 1.870 3.070 0.040  9 0 "[    .    1    .    2]" 1 
       444 1 143 ILE MD  1 181 LEU MD1 . . 3.660 2.616 1.834 3.720 0.060 11 0 "[    .    1    .    2]" 1 
       445 1 138 VAL MG1 1 143 ILE MD  . . 3.700 3.174 1.838 3.968 0.268 20 0 "[    .    1    .    2]" 1 
       446 1 138 VAL MG2 1 143 ILE MD  . . 3.310 2.532 1.855 3.569 0.259 10 0 "[    .    1    .    2]" 1 
       447 1 115 LEU MD1 1 129 VAL MG1 . . 3.150 2.711 1.801 3.370 0.220  1 0 "[    .    1    .    2]" 1 
       448 1 115 LEU MD2 1 129 VAL MG1 . . 3.150 2.918 2.011 3.359 0.209  1 0 "[    .    1    .    2]" 1 
       449 1  16 LEU MD1 1  20 LEU MD2 . . 4.200 4.228 3.029 4.473 0.273 10 0 "[    .    1    .    2]" 1 
       450 1  16 LEU MD1 1 169 ILE MD  . . 3.750 3.704 3.345 4.127 0.377 20 0 "[    .    1    .    2]" 1 
       451 1  12 VAL MG2 1  16 LEU MD1 . . 4.500 3.689 2.613 4.635 0.135 14 0 "[    .    1    .    2]" 1 
       452 1 117 ILE MD  1 169 ILE MD  . . 2.970 3.091 2.852 3.247 0.277 11 0 "[    .    1    .    2]" 1 
       453 1 115 LEU MD1 1 117 ILE MD  . . 2.600 2.519 2.027 2.968 0.368 17 0 "[    .    1    .    2]" 1 
       454 1 117 ILE MD  1 165 LEU MD2 . . 3.620 3.121 1.891 3.714 0.094  8 0 "[    .    1    .    2]" 1 
       455 1  12 VAL MG1 1 177 LEU MD1 . . 3.150 2.699 1.953 3.165 0.015  1 0 "[    .    1    .    2]" 1 
       456 1  12 VAL MG1 1  16 LEU MD1 . . 4.500 3.856 2.502 4.660 0.160 20 0 "[    .    1    .    2]" 1 
       457 1 138 VAL MG2 1 181 LEU MD2 . . 4.920 2.119 1.832 3.208     .  0 0 "[    .    1    .    2]" 1 
       458 1 138 VAL MG2 1 181 LEU MD1 . . 4.920 2.206 1.851 3.370     .  0 0 "[    .    1    .    2]" 1 
       459 1  11 LEU QD  1  89 VAL QG  . . 3.190 2.815 1.931 3.259 0.069 10 0 "[    .    1    .    2]" 1 
       460 1  11 LEU QD  1  93 LEU QD  . . 2.350 2.081 1.754 2.370 0.020 11 0 "[    .    1    .    2]" 1 
       461 1  11 LEU QD  1 177 LEU QD  . . 3.960 3.690 2.885 4.216 0.256 18 0 "[    .    1    .    2]" 1 
       462 1  12 VAL QG  1  13 VAL QG  . . 3.210 2.314 2.053 2.850     .  0 0 "[    .    1    .    2]" 1 
       463 1  12 VAL QG  1  16 LEU QD  . . 3.200 2.985 2.447 3.411 0.211 14 0 "[    .    1    .    2]" 1 
       464 1  12 VAL QG  1 177 LEU QD  . . 2.110 2.083 1.888 2.335 0.225  7 0 "[    .    1    .    2]" 1 
       465 1  16 LEU QD  1  20 LEU QD  . . 2.830 2.799 2.203 3.029 0.199  2 0 "[    .    1    .    2]" 1 
       466 1  16 LEU QD  1 166 VAL QG  . . 4.400 2.818 2.126 3.366     .  0 0 "[    .    1    .    2]" 1 
       467 1  20 LEU QD  1 155 VAL QG  . . 3.770 3.269 2.061 3.924 0.154 16 0 "[    .    1    .    2]" 1 
       468 1  20 LEU QD  1 158 VAL QG  . . 3.730 2.656 1.714 3.674     .  0 0 "[    .    1    .    2]" 1 
       469 1  20 LEU QD  1 166 VAL QG  . . 3.740 1.888 1.569 2.519     .  0 0 "[    .    1    .    2]" 1 
       470 1  89 VAL QG  1  93 LEU QD  . . 3.880 3.217 1.849 3.964 0.084 19 0 "[    .    1    .    2]" 1 
       471 1  89 VAL QG  1 195 VAL QG  . . 2.710 2.291 1.770 2.733 0.023 17 0 "[    .    1    .    2]" 1 
       472 1  93 LEU QD  1 144 VAL QG  . . 3.580 3.131 1.974 3.604 0.024 15 0 "[    .    1    .    2]" 1 
       473 1 111 LEU QD  1 129 VAL QG  . . 4.420 2.027 1.744 2.930     .  0 0 "[    .    1    .    2]" 1 
       474 1 111 LEU QD  1 133 LEU QD  . . 2.490 2.065 1.704 2.536 0.046 14 0 "[    .    1    .    2]" 1 
       475 1 115 LEU QD  1 129 VAL QG  . . 2.270 1.957 1.690 2.302 0.032  8 0 "[    .    1    .    2]" 1 
       476 1 115 LEU QD  1 153 LEU QD  . . 2.200 1.982 1.707 2.419 0.219 10 0 "[    .    1    .    2]" 1 
       477 1 117 ILE MD  1 153 LEU QD  . . 2.470 1.822 1.704 2.231     .  0 0 "[    .    1    .    2]" 1 
       478 1 117 ILE MD  1 165 LEU QD  . . 3.160 2.208 1.790 3.183 0.023  3 0 "[    .    1    .    2]" 1 
       479 1 129 VAL QG  1 133 LEU QD  . . 4.230 2.848 1.944 4.230 0.000  5 0 "[    .    1    .    2]" 1 
       480 1 129 VAL QG  1 153 LEU QD  . . 4.300 4.098 3.241 4.454 0.154 15 0 "[    .    1    .    2]" 1 
       481 1 130 VAL QG  1 133 LEU QD  . . 3.530 3.493 3.185 3.755 0.225  8 0 "[    .    1    .    2]" 1 
       482 1 130 VAL QG  1 181 LEU QD  . . 3.740 3.703 3.330 3.804 0.064 19 0 "[    .    1    .    2]" 1 
       483 1 138 VAL QG  1 143 ILE MD  . . 2.440 2.043 1.831 2.352     .  0 0 "[    .    1    .    2]" 1 
       484 1 138 VAL QG  1 181 LEU QD  . . 2.940 1.660 1.554 1.822     .  0 0 "[    .    1    .    2]" 1 
       485 1 138 VAL QG  1 185 ILE MD  . . 3.660 3.723 3.357 3.897 0.237 13 0 "[    .    1    .    2]" 1 
       486 1 143 ILE MD  1 177 LEU QD  . . 4.310 3.248 2.714 4.055     .  0 0 "[    .    1    .    2]" 1 
       487 1 143 ILE MD  1 181 LEU QD  . . 2.650 2.161 1.826 2.850 0.200 13 0 "[    .    1    .    2]" 1 
       488 1 153 LEU QD  1 169 ILE MD  . . 3.310 1.877 1.778 2.109     .  0 0 "[    .    1    .    2]" 1 
       489 1 155 VAL QG  1 158 VAL QG  . . 4.510 3.415 2.757 4.191     .  0 0 "[    .    1    .    2]" 1 
       490 1 158 VAL QG  1 166 VAL QG  . . 2.720 2.346 1.800 2.859 0.139  6 0 "[    .    1    .    2]" 1 
       491 1 164 VAL QG  1 165 LEU QD  . . 3.730 3.181 2.393 3.863 0.133 17 0 "[    .    1    .    2]" 1 
       492 1 177 LEU QD  1 181 LEU QD  . . 3.330 2.522 1.906 3.376 0.046 12 0 "[    .    1    .    2]" 1 
       493 1 177 LEU QD  1 185 ILE MD  . . 2.910 2.385 1.886 3.079 0.169  1 0 "[    .    1    .    2]" 1 
       494 1 181 LEU QD  1 185 ILE MD  . . 3.640 2.346 1.982 3.200     .  0 0 "[    .    1    .    2]" 1 
       495 1 110 ASP H   1 112 THR H   . . 4.250 4.403 4.072 4.592 0.342 18 0 "[    .    1    .    2]" 1 
       496 1  10 GLU H   1  11 LEU QD  . . 5.690 4.782 3.883 5.447     .  0 0 "[    .    1    .    2]" 1 
       497 1  10 GLU H   1  13 VAL QG  . . 4.630 4.325 3.867 4.697 0.067  9 0 "[    .    1    .    2]" 1 
       498 1  11 LEU H   1  12 VAL QG  . . 5.540 4.147 3.353 4.902     .  0 0 "[    .    1    .    2]" 1 
       499 1  11 LEU QD  1  13 VAL H   . . 5.340 5.029 4.357 5.497 0.157 20 0 "[    .    1    .    2]" 1 
       500 1  11 LEU QD  1  14 ASP H   . . 5.180 5.088 4.749 5.390 0.210 12 0 "[    .    1    .    2]" 1 
       501 1  11 LEU QD  1 191 TRP HE1 . . 4.850 4.544 3.223 4.999 0.149  9 0 "[    .    1    .    2]" 1 
       502 1  12 VAL H   1  12 VAL QG  . . 3.790 2.347 1.791 2.943     .  0 0 "[    .    1    .    2]" 1 
       503 1  12 VAL H   1  13 VAL QG  . . 5.390 3.988 3.485 4.445     .  0 0 "[    .    1    .    2]" 1 
       504 1  12 VAL QG  1  13 VAL H   . . 4.860 2.247 2.025 2.600     .  0 0 "[    .    1    .    2]" 1 
       505 1  12 VAL QG  1  14 ASP H   . . 5.080 4.234 4.136 4.451     .  0 0 "[    .    1    .    2]" 1 
       506 1  12 VAL QG  1  16 LEU H   . . 6.420 4.482 4.208 4.875     .  0 0 "[    .    1    .    2]" 1 
       507 1  12 VAL QG  1 170 ALA H   . . 6.390 6.105 5.305 6.556 0.166 16 0 "[    .    1    .    2]" 1 
       508 1  12 VAL QG  1 174 ALA H   . . 6.420 3.191 2.618 3.836     .  0 0 "[    .    1    .    2]" 1 
       509 1  13 VAL H   1  13 VAL QG  . . 3.560 2.282 1.842 2.720     .  0 0 "[    .    1    .    2]" 1 
       510 1  13 VAL QG  1  14 ASP H   . . 4.470 2.746 2.112 3.266     .  0 0 "[    .    1    .    2]" 1 
       511 1  16 LEU H   1 166 VAL QG  . . 6.420 6.413 5.856 6.595 0.175 12 0 "[    .    1    .    2]" 1 
       512 1  17 SER H   1 166 VAL QG  . . 6.210 5.463 4.866 6.183     .  0 0 "[    .    1    .    2]" 1 
       513 1  19 LYS H   1  20 LEU QD  . . 5.370 4.077 3.702 4.544     .  0 0 "[    .    1    .    2]" 1 
       514 1  20 LEU H   1  20 LEU QD  . . 4.520 2.570 2.282 3.110     .  0 0 "[    .    1    .    2]" 1 
       515 1  20 LEU QD  1  26 SER H   . . 6.420 5.459 3.604 6.510 0.090  4 0 "[    .    1    .    2]" 1 
       516 1  20 LEU QD  1  27 TRP HE1 . . 4.280 4.168 3.310 4.438 0.158 18 0 "[    .    1    .    2]" 1 
       517 1  33 VAL QG  1  36 ASN H   . . 6.420 5.134 2.537 6.493 0.073 13 0 "[    .    1    .    2]" 1 
       518 1  62 LEU QD  1  63 ALA H   . . 6.120 4.254 2.863 4.627     .  0 0 "[    .    1    .    2]" 1 
       519 1  92 ALA H   1 195 VAL QG  . . 5.610 5.319 3.745 5.686 0.076 11 0 "[    .    1    .    2]" 1 
       520 1  93 LEU QD  1  94 ARG H   . . 6.330 3.727 2.888 4.207     .  0 0 "[    .    1    .    2]" 1 
       521 1  97 GLY H   1 144 VAL QG  . . 5.510 4.167 3.027 5.444     .  0 0 "[    .    1    .    2]" 1 
       522 1  98 ASP H   1 144 VAL QG  . . 6.260 5.122 3.911 6.305 0.045  3 0 "[    .    1    .    2]" 1 
       523 1 101 GLU H   1 102 LEU QD  . . 6.150 5.186 3.296 5.737     .  0 0 "[    .    1    .    2]" 1 
       524 1 102 LEU QD  1 104 TYR H   . . 4.630 4.619 4.203 4.828 0.198  2 0 "[    .    1    .    2]" 1 
       525 1 111 LEU H   1 111 LEU QD  . . 4.860 3.447 3.094 3.649     .  0 0 "[    .    1    .    2]" 1 
       526 1 111 LEU QD  1 113 SER H   . . 6.420 5.242 4.568 5.739     .  0 0 "[    .    1    .    2]" 1 
       527 1 111 LEU QD  1 114 GLN H   . . 5.490 4.360 3.446 5.061     .  0 0 "[    .    1    .    2]" 1 
       528 1 111 LEU QD  1 115 LEU H   . . 5.250 3.815 2.817 4.688     .  0 0 "[    .    1    .    2]" 1 
       529 1 111 LEU QD  1 129 VAL H   . . 5.470 4.990 4.194 5.459     .  0 0 "[    .    1    .    2]" 1 
       530 1 111 LEU QD  1 132 GLU H   . . 5.930 5.405 3.849 5.980 0.050  5 0 "[    .    1    .    2]" 1 
       531 1 111 LEU QD  1 149 PHE H   . . 6.420 5.074 4.205 6.415     .  0 0 "[    .    1    .    2]" 1 
       532 1 115 LEU QD  1 128 GLN H   . . 5.910 5.504 4.764 6.032 0.122 13 0 "[    .    1    .    2]" 1 
       533 1 118 THR H   1 165 LEU QD  . . 6.420 4.376 2.703 6.420 0.000  9 0 "[    .    1    .    2]" 1 
       534 1 129 VAL H   1 130 VAL QG  . . 6.120 4.153 3.901 4.354     .  0 0 "[    .    1    .    2]" 1 
       535 1 130 VAL QG  1 131 ASN H   . . 5.830 3.156 2.132 3.378     .  0 0 "[    .    1    .    2]" 1 
       536 1 133 LEU QD  1 134 PHE H   . . 5.550 4.150 3.754 4.380     .  0 0 "[    .    1    .    2]" 1 
       537 1 133 LEU QD  1 146 PHE H   . . 4.830 4.285 2.917 4.876 0.046 19 0 "[    .    1    .    2]" 1 
       538 1 133 LEU QD  1 149 PHE H   . . 6.420 5.077 4.002 6.088     .  0 0 "[    .    1    .    2]" 1 
       539 1 137 GLY H   1 138 VAL QG  . . 6.420 4.545 3.015 5.076     .  0 0 "[    .    1    .    2]" 1 
       540 1 138 VAL H   1 138 VAL QG  . . 3.920 2.404 1.836 3.179     .  0 0 "[    .    1    .    2]" 1 
       541 1 138 VAL QG  1 139 ASN H   . . 3.630 3.409 3.078 3.530     .  0 0 "[    .    1    .    2]" 1 
       542 1 138 VAL QG  1 140 TRP H   . . 6.420 5.260 5.092 5.598     .  0 0 "[    .    1    .    2]" 1 
       543 1 138 VAL QG  1 140 TRP HE1 . . 6.600 6.507 6.140 6.727 0.127  9 0 "[    .    1    .    2]" 1 
       544 1 152 ALA H   1 155 VAL QG  . . 6.260 4.438 4.042 5.878     .  0 0 "[    .    1    .    2]" 1 
       545 1 153 LEU QD  1 154 CYS H   . . 5.150 3.089 2.416 3.924     .  0 0 "[    .    1    .    2]" 1 
       546 1 153 LEU QD  1 155 VAL H   . . 5.180 4.633 4.068 5.251 0.071 19 0 "[    .    1    .    2]" 1 
       547 1 153 LEU QD  1 157 SER H   . . 5.620 3.769 2.736 4.764     .  0 0 "[    .    1    .    2]" 1 
       548 1 153 LEU QD  1 169 ILE H   . . 5.000 5.075 4.563 5.236 0.236 19 0 "[    .    1    .    2]" 1 
       549 1 154 CYS H   1 155 VAL QG  . . 5.010 3.923 3.510 4.242     .  0 0 "[    .    1    .    2]" 1 
       550 1 155 VAL H   1 155 VAL QG  . . 4.150 2.082 1.782 2.501     .  0 0 "[    .    1    .    2]" 1 
       551 1 155 VAL QG  1 156 GLU H   . . 4.590 2.802 1.982 3.455     .  0 0 "[    .    1    .    2]" 1 
       552 1 155 VAL QG  1 157 SER H   . . 6.360 4.524 4.043 5.007     .  0 0 "[    .    1    .    2]" 1 
       553 1 157 SER H   1 158 VAL QG  . . 5.390 4.034 3.541 4.571     .  0 0 "[    .    1    .    2]" 1 
       554 1 158 VAL H   1 158 VAL QG  . . 3.960 2.131 1.848 2.501     .  0 0 "[    .    1    .    2]" 1 
       555 1 158 VAL QG  1 159 ASP H   . . 4.890 2.732 1.900 3.527     .  0 0 "[    .    1    .    2]" 1 
       556 1 163 GLN H   1 164 VAL QG  . . 4.960 4.036 3.584 4.379     .  0 0 "[    .    1    .    2]" 1 
       557 1 164 VAL H   1 164 VAL QG  . . 3.620 2.199 1.929 2.431     .  0 0 "[    .    1    .    2]" 1 
       558 1 164 VAL QG  1 165 LEU H   . . 4.030 2.721 2.096 3.432     .  0 0 "[    .    1    .    2]" 1 
       559 1 164 VAL QG  1 166 VAL H   . . 5.210 4.142 2.819 5.035     .  0 0 "[    .    1    .    2]" 1 
       560 1 164 VAL QG  1 167 SER H   . . 6.360 4.851 4.282 5.723     .  0 0 "[    .    1    .    2]" 1 
       561 1 164 VAL QG  1 168 ARG H   . . 6.420 5.287 4.580 6.392     .  0 0 "[    .    1    .    2]" 1 
       562 1 165 LEU H   1 166 VAL QG  . . 5.180 3.653 3.167 4.280     .  0 0 "[    .    1    .    2]" 1 
       563 1 166 VAL H   1 166 VAL QG  . . 3.850 2.261 1.832 2.956     .  0 0 "[    .    1    .    2]" 1 
       564 1 166 VAL QG  1 167 SER H   . . 4.910 2.736 2.067 3.438     .  0 0 "[    .    1    .    2]" 1 
       565 1 166 VAL QG  1 168 ARG H   . . 5.780 4.320 4.033 4.644     .  0 0 "[    .    1    .    2]" 1 
       566 1 175 THR H   1 177 LEU QD  . . 6.200 5.262 4.946 5.564     .  0 0 "[    .    1    .    2]" 1 
       567 1 177 LEU H   1 177 LEU QD  . . 4.640 3.313 3.080 3.725     .  0 0 "[    .    1    .    2]" 1 
       568 1 177 LEU H   1 181 LEU QD  . . 6.420 4.769 3.958 5.484     .  0 0 "[    .    1    .    2]" 1 
       569 1 177 LEU QD  1 178 ASN H   . . 4.870 3.703 2.279 3.992     .  0 0 "[    .    1    .    2]" 1 
       570 1 177 LEU QD  1 181 LEU H   . . 6.420 4.936 4.411 5.238     .  0 0 "[    .    1    .    2]" 1 
       571 1 177 LEU QD  1 182 GLU H   . . 5.290 5.130 4.767 5.316 0.026 18 0 "[    .    1    .    2]" 1 
       572 1 177 LEU QD  1 191 TRP HE1 . . 5.510 5.596 5.320 5.728 0.218  9 0 "[    .    1    .    2]" 1 
       573 1 181 LEU QD  1 182 GLU H   . . 5.600 4.210 4.022 4.451     .  0 0 "[    .    1    .    2]" 1 
       574 1 181 LEU QD  1 184 TRP H   . . 6.120 4.231 3.773 4.989     .  0 0 "[    .    1    .    2]" 1 
       575 1 181 LEU QD  1 184 TRP HE1 . . 4.420 4.418 4.202 4.526 0.106 18 0 "[    .    1    .    2]" 1 
       576 1 181 LEU QD  1 185 ILE H   . . 6.420 3.605 2.818 5.026     .  0 0 "[    .    1    .    2]" 1 
       577 1 194 PHE H   1 195 VAL QG  . . 4.980 3.993 3.577 4.221     .  0 0 "[    .    1    .    2]" 1 
       578 1 195 VAL H   1 195 VAL QG  . . 3.690 2.235 1.930 2.431     .  0 0 "[    .    1    .    2]" 1 
       579 1 195 VAL QG  1 196 GLU H   . . 4.490 2.971 2.098 3.386     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              96
    _Distance_constraint_stats_list.Viol_count                    337
    _Distance_constraint_stats_list.Viol_total                    888.198
    _Distance_constraint_stats_list.Viol_max                      0.693
    _Distance_constraint_stats_list.Viol_rms                      0.0689
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0231
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1318
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       .

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

       1   6 GLN  0.000 0.000  . 0 "[    .    1    .    2]" 
       1   8 ASN  2.634 0.212 10 0 "[    .    1    .    2]" 
       1  10 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  12 VAL  2.634 0.212 10 0 "[    .    1    .    2]" 
       1  14 ASP  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  15 PHE  0.348 0.149 12 0 "[    .    1    .    2]" 
       1  16 LEU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  18 TYR  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  19 LYS  0.348 0.149 12 0 "[    .    1    .    2]" 
       1  20 LEU  1.606 0.498  5 0 "[    .    1    .    2]" 
       1  24 GLY  1.606 0.498  5 0 "[    .    1    .    2]" 
       1  84 ILE  0.926 0.453  5 0 "[    .    1    .    2]" 
       1  88 ALA  0.926 0.453  5 0 "[    .    1    .    2]" 
       1  91 GLN  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  92 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  93 LEU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  94 ARG  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  95 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  96 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  97 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  98 ASP  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 101 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 102 LEU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 110 ASP  0.019 0.010 13 0 "[    .    1    .    2]" 
       1 111 LEU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 114 GLN  0.019 0.010 13 0 "[    .    1    .    2]" 
       1 115 LEU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 122 ALA  0.104 0.039 13 0 "[    .    1    .    2]" 
       1 123 TYR  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 125 SER  0.761 0.119 20 0 "[    .    1    .    2]" 
       1 126 PHE  0.104 0.039 13 0 "[    .    1    .    2]" 
       1 127 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 128 GLN  0.148 0.050  6 0 "[    .    1    .    2]" 
       1 129 VAL  0.958 0.119 20 0 "[    .    1    .    2]" 
       1 130 VAL  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 131 ASN  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 132 GLU  0.148 0.050  6 0 "[    .    1    .    2]" 
       1 133 LEU  0.197 0.080 10 0 "[    .    1    .    2]" 
       1 134 PHE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 139 ASN  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 140 TRP  2.599 0.171 17 0 "[    .    1    .    2]" 
       1 141 GLY  3.986 0.361  8 0 "[    .    1    .    2]" 
       1 143 ILE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 144 VAL  2.599 0.171 17 0 "[    .    1    .    2]" 
       1 145 ALA  4.209 0.361  8 0 "[    .    1    .    2]" 
       1 146 PHE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 147 PHE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 148 SER  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 149 PHE  0.223 0.082  9 0 "[    .    1    .    2]" 
       1 150 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 151 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 152 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 156 GLU  0.903 0.314 15 0 "[    .    1    .    2]" 
       1 157 SER  1.979 0.547 10 1 "[    .    +    .    2]" 
       1 160 LYS  0.903 0.314 15 0 "[    .    1    .    2]" 
       1 161 GLU  1.979 0.547 10 1 "[    .    +    .    2]" 
       1 166 VAL  0.773 0.162 10 0 "[    .    1    .    2]" 
       1 167 SER  0.528 0.184 19 0 "[    .    1    .    2]" 
       1 168 ARG  0.029 0.015  4 0 "[    .    1    .    2]" 
       1 170 ALA  0.773 0.162 10 0 "[    .    1    .    2]" 
       1 171 ALA  0.528 0.184 19 0 "[    .    1    .    2]" 
       1 172 TRP  0.665 0.126 15 0 "[    .    1    .    2]" 
       1 173 MET  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 174 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 176 TYR  8.011 0.294 14 0 "[    .    1    .    2]" 
       1 177 LEU  1.589 0.476 18 0 "[    .    1    .    2]" 
       1 178 ASN  9.889 0.693 20 1 "[    .    1    .    +]" 
       1 180 HIS 12.028 0.294 14 0 "[    .    1    .    2]" 
       1 181 LEU  1.589 0.476 18 0 "[    .    1    .    2]" 
       1 182 GLU  9.986 0.693 20 1 "[    .    1    .    +]" 
       1 183 PRO  0.042 0.042 18 0 "[    .    1    .    2]" 
       1 184 TRP  4.652 0.229 11 0 "[    .    1    .    2]" 
       1 185 ILE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 186 GLN  0.096 0.020 10 0 "[    .    1    .    2]" 
       1 187 GLU  0.042 0.042 18 0 "[    .    1    .    2]" 
       1 191 TRP  0.130 0.049  9 0 "[    .    1    .    2]" 
       1 192 ASP  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 193 THR  2.238 0.382  6 0 "[    .    1    .    2]" 
       1 195 VAL  0.130 0.049  9 0 "[    .    1    .    2]" 
       1 196 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 197 LEU  2.238 0.382  6 0 "[    .    1    .    2]" 
    stop_

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

        1 1   6 GLN O 1  10 GLU H . . 2.300 2.048 1.751 2.236     .  0 0 "[    .    1    .    2]" 2 
        2 1   6 GLN O 1  10 GLU N . . 3.200 2.907 2.649 3.079     .  0 0 "[    .    1    .    2]" 2 
        3 1   8 ASN O 1  12 VAL H . . 2.300 2.289 1.936 2.492 0.192  3 0 "[    .    1    .    2]" 2 
        4 1   8 ASN O 1  12 VAL N . . 3.200 3.232 2.810 3.412 0.212 10 0 "[    .    1    .    2]" 2 
        5 1  14 ASP O 1  18 TYR H . . 2.300 1.842 1.729 2.258     .  0 0 "[    .    1    .    2]" 2 
        6 1  14 ASP O 1  18 TYR N . . 3.200 2.801 2.700 3.155     .  0 0 "[    .    1    .    2]" 2 
        7 1  15 PHE O 1  19 LYS H . . 2.300 2.126 1.798 2.449 0.149 12 0 "[    .    1    .    2]" 2 
        8 1  15 PHE O 1  19 LYS N . . 3.200 3.080 2.813 3.264 0.064 12 0 "[    .    1    .    2]" 2 
        9 1  16 LEU O 1  20 LEU H . . 2.300 1.882 1.741 2.228     .  0 0 "[    .    1    .    2]" 2 
       10 1  16 LEU O 1  20 LEU N . . 3.200 2.846 2.743 3.125     .  0 0 "[    .    1    .    2]" 2 
       11 1  20 LEU O 1  24 GLY H . . 2.300 2.197 1.761 2.798 0.498  5 0 "[    .    1    .    2]" 2 
       12 1  20 LEU O 1  24 GLY N . . 3.200 2.836 2.675 3.041     .  0 0 "[    .    1    .    2]" 2 
       13 1  84 ILE O 1  88 ALA H . . 2.300 2.165 1.809 2.727 0.427  5 0 "[    .    1    .    2]" 2 
       14 1  84 ILE O 1  88 ALA N . . 3.200 3.029 2.820 3.653 0.453  5 0 "[    .    1    .    2]" 2 
       15 1  88 ALA O 1  92 ALA H . . 2.300 1.900 1.719 2.056     .  0 0 "[    .    1    .    2]" 2 
       16 1  88 ALA O 1  92 ALA N . . 3.200 2.846 2.728 3.023     .  0 0 "[    .    1    .    2]" 2 
       17 1  91 GLN O 1  95 GLU H . . 2.300 1.931 1.771 2.031     .  0 0 "[    .    1    .    2]" 2 
       18 1  91 GLN O 1  95 GLU N . . 3.200 2.891 2.765 2.990     .  0 0 "[    .    1    .    2]" 2 
       19 1  92 ALA O 1  96 ALA H . . 2.300 2.094 1.960 2.185     .  0 0 "[    .    1    .    2]" 2 
       20 1  92 ALA O 1  96 ALA N . . 3.200 3.016 2.918 3.086     .  0 0 "[    .    1    .    2]" 2 
       21 1  93 LEU O 1  97 GLY H . . 2.300 1.946 1.831 2.119     .  0 0 "[    .    1    .    2]" 2 
       22 1  93 LEU O 1  97 GLY N . . 3.200 2.858 2.761 3.065     .  0 0 "[    .    1    .    2]" 2 
       23 1  94 ARG O 1  98 ASP H . . 2.300 1.941 1.798 2.072     .  0 0 "[    .    1    .    2]" 2 
       24 1  94 ARG O 1  98 ASP N . . 3.200 2.872 2.773 2.982     .  0 0 "[    .    1    .    2]" 2 
       25 1  97 GLY O 1 101 GLU H . . 2.300 1.927 1.804 2.179     .  0 0 "[    .    1    .    2]" 2 
       26 1  97 GLY O 1 101 GLU N . . 3.200 2.809 2.766 2.945     .  0 0 "[    .    1    .    2]" 2 
       27 1  98 ASP O 1 102 LEU H . . 2.300 2.085 1.969 2.188     .  0 0 "[    .    1    .    2]" 2 
       28 1  98 ASP O 1 102 LEU N . . 3.200 3.049 2.953 3.159     .  0 0 "[    .    1    .    2]" 2 
       29 1 110 ASP O 1 114 GLN H . . 2.700 2.393 1.925 2.710 0.010 13 0 "[    .    1    .    2]" 2 
       30 1 110 ASP O 1 114 GLN N . . 4.000 3.251 2.825 3.546     .  0 0 "[    .    1    .    2]" 2 
       31 1 111 LEU O 1 115 LEU H . . 2.700 1.917 1.779 2.366     .  0 0 "[    .    1    .    2]" 2 
       32 1 111 LEU O 1 115 LEU N . . 4.000 2.802 2.726 3.187     .  0 0 "[    .    1    .    2]" 2 
       33 1 122 ALA O 1 126 PHE H . . 2.300 2.084 1.720 2.268     .  0 0 "[    .    1    .    2]" 2 
       34 1 122 ALA O 1 126 PHE N . . 3.200 3.073 2.729 3.239 0.039 13 0 "[    .    1    .    2]" 2 
       35 1 123 TYR O 1 127 GLU H . . 2.300 1.942 1.778 2.295     .  0 0 "[    .    1    .    2]" 2 
       36 1 123 TYR O 1 127 GLU N . . 3.200 2.893 2.716 3.168     .  0 0 "[    .    1    .    2]" 2 
       37 1 125 SER O 1 129 VAL H . . 2.300 2.198 1.801 2.329 0.029 20 0 "[    .    1    .    2]" 2 
       38 1 125 SER O 1 129 VAL N . . 3.200 3.189 2.792 3.319 0.119 20 0 "[    .    1    .    2]" 2 
       39 1 127 GLU O 1 131 ASN H . . 2.300 1.901 1.726 2.184     .  0 0 "[    .    1    .    2]" 2 
       40 1 127 GLU O 1 131 ASN N . . 3.200 2.853 2.687 3.193     .  0 0 "[    .    1    .    2]" 2 
       41 1 128 GLN O 1 132 GLU H . . 2.300 2.060 1.802 2.350 0.050  6 0 "[    .    1    .    2]" 2 
       42 1 128 GLN O 1 132 GLU N . . 3.200 2.999 2.748 3.239 0.039  6 0 "[    .    1    .    2]" 2 
       43 1 129 VAL O 1 133 LEU H . . 2.300 2.192 2.111 2.323 0.023 10 0 "[    .    1    .    2]" 2 
       44 1 129 VAL O 1 133 LEU N . . 3.200 3.154 3.035 3.280 0.080 10 0 "[    .    1    .    2]" 2 
       45 1 130 VAL O 1 134 PHE H . . 2.300 2.010 1.809 2.211     .  0 0 "[    .    1    .    2]" 2 
       46 1 130 VAL O 1 134 PHE N . . 3.200 2.845 2.719 3.144     .  0 0 "[    .    1    .    2]" 2 
       47 1 139 ASN O 1 143 ILE H . . 2.500 1.860 1.750 2.266     .  0 0 "[    .    1    .    2]" 2 
       48 1 139 ASN O 1 143 ILE N . . 3.500 2.834 2.739 3.115     .  0 0 "[    .    1    .    2]" 2 
       49 1 140 TRP O 1 144 VAL H . . 2.300 2.303 2.088 2.471 0.171 17 0 "[    .    1    .    2]" 2 
       50 1 140 TRP O 1 144 VAL N . . 3.200 3.256 3.082 3.362 0.162 18 0 "[    .    1    .    2]" 2 
       51 1 141 GLY O 1 145 ALA H . . 2.300 2.379 2.128 2.661 0.361  8 0 "[    .    1    .    2]" 2 
       52 1 141 GLY O 1 145 ALA N . . 3.200 3.267 3.084 3.495 0.295 10 0 "[    .    1    .    2]" 2 
       53 1 145 ALA O 1 149 PHE H . . 2.300 2.194 1.853 2.319 0.019  9 0 "[    .    1    .    2]" 2 
       54 1 145 ALA O 1 149 PHE N . . 3.200 3.163 2.865 3.282 0.082  9 0 "[    .    1    .    2]" 2 
       55 1 146 PHE O 1 150 GLY H . . 2.300 2.011 1.836 2.170     .  0 0 "[    .    1    .    2]" 2 
       56 1 146 PHE O 1 150 GLY N . . 3.200 2.921 2.740 3.049     .  0 0 "[    .    1    .    2]" 2 
       57 1 147 PHE O 1 151 GLY H . . 2.300 2.007 1.833 2.240     .  0 0 "[    .    1    .    2]" 2 
       58 1 147 PHE O 1 151 GLY N . . 3.200 2.911 2.697 3.096     .  0 0 "[    .    1    .    2]" 2 
       59 1 148 SER O 1 152 ALA H . . 2.300 1.938 1.782 2.033     .  0 0 "[    .    1    .    2]" 2 
       60 1 148 SER O 1 152 ALA N . . 3.200 2.829 2.728 2.892     .  0 0 "[    .    1    .    2]" 2 
       61 1 156 GLU O 1 160 LYS H . . 2.500 2.413 2.019 2.814 0.314 15 0 "[    .    1    .    2]" 2 
       62 1 156 GLU O 1 160 LYS N . . 3.500 3.120 2.809 3.559 0.059 17 0 "[    .    1    .    2]" 2 
       63 1 157 SER O 1 161 GLU H . . 2.300 2.345 2.031 2.847 0.547 10 1 "[    .    +    .    2]" 2 
       64 1 157 SER O 1 161 GLU N . . 3.200 2.922 2.752 3.171     .  0 0 "[    .    1    .    2]" 2 
       65 1 166 VAL O 1 170 ALA H . . 2.300 2.202 1.984 2.391 0.091 10 0 "[    .    1    .    2]" 2 
       66 1 166 VAL O 1 170 ALA N . . 3.200 3.152 2.911 3.362 0.162 10 0 "[    .    1    .    2]" 2 
       67 1 167 SER O 1 171 ALA H . . 2.300 2.235 2.046 2.469 0.169 19 0 "[    .    1    .    2]" 2 
       68 1 167 SER O 1 171 ALA N . . 3.200 3.130 2.973 3.384 0.184 19 0 "[    .    1    .    2]" 2 
       69 1 168 ARG O 1 172 TRP H . . 2.300 1.953 1.764 2.211     .  0 0 "[    .    1    .    2]" 2 
       70 1 168 ARG O 1 172 TRP N . . 3.200 2.930 2.736 3.215 0.015  4 0 "[    .    1    .    2]" 2 
       71 1 172 TRP O 1 176 TYR H . . 2.300 2.053 1.757 2.422 0.122 15 0 "[    .    1    .    2]" 2 
       72 1 172 TRP O 1 176 TYR N . . 3.200 3.034 2.743 3.326 0.126 15 0 "[    .    1    .    2]" 2 
       73 1 173 MET O 1 177 LEU H . . 2.300 1.834 1.772 2.119     .  0 0 "[    .    1    .    2]" 2 
       74 1 173 MET O 1 177 LEU N . . 3.200 2.788 2.722 3.009     .  0 0 "[    .    1    .    2]" 2 
       75 1 174 ALA O 1 178 ASN H . . 2.300 2.066 1.794 2.224     .  0 0 "[    .    1    .    2]" 2 
       76 1 174 ALA O 1 178 ASN N . . 3.200 3.057 2.784 3.189     .  0 0 "[    .    1    .    2]" 2 
       77 1 176 TYR O 1 180 HIS H . . 2.500 2.698 2.597 2.794 0.294 14 0 "[    .    1    .    2]" 2 
       78 1 176 TYR O 1 180 HIS N . . 3.500 3.671 3.585 3.772 0.272 14 0 "[    .    1    .    2]" 2 
       79 1 177 LEU O 1 181 LEU H . . 2.300 2.296 1.771 2.776 0.476 18 0 "[    .    1    .    2]" 2 
       80 1 177 LEU O 1 181 LEU N . . 3.200 2.909 2.736 3.226 0.026 18 0 "[    .    1    .    2]" 2 
       81 1 178 ASN O 1 182 GLU H . . 3.000 3.114 2.061 3.469 0.469 20 0 "[    .    1    .    2]" 2 
       82 1 178 ASN O 1 182 GLU N . . 3.600 3.893 2.798 4.293 0.693 20 1 "[    .    1    .    +]" 2 
       83 1 180 HIS O 1 184 TRP H . . 2.700 2.834 2.716 2.929 0.229 11 0 "[    .    1    .    2]" 2 
       84 1 180 HIS O 1 184 TRP N . . 3.700 3.794 3.610 3.898 0.198 11 0 "[    .    1    .    2]" 2 
       85 1 181 LEU O 1 185 ILE H . . 2.300 1.955 1.807 2.159     .  0 0 "[    .    1    .    2]" 2 
       86 1 181 LEU O 1 185 ILE N . . 3.200 2.943 2.786 3.171     .  0 0 "[    .    1    .    2]" 2 
       87 1 182 GLU O 1 186 GLN H . . 2.300 2.215 2.037 2.307 0.007  5 0 "[    .    1    .    2]" 2 
       88 1 182 GLU O 1 186 GLN N . . 3.200 3.138 2.944 3.220 0.020 10 0 "[    .    1    .    2]" 2 
       89 1 183 PRO O 1 187 GLU H . . 2.300 1.922 1.757 2.279     .  0 0 "[    .    1    .    2]" 2 
       90 1 183 PRO O 1 187 GLU N . . 3.200 2.879 2.724 3.242 0.042 18 0 "[    .    1    .    2]" 2 
       91 1 191 TRP O 1 195 VAL H . . 2.300 2.161 1.849 2.343 0.043  2 0 "[    .    1    .    2]" 2 
       92 1 191 TRP O 1 195 VAL N . . 3.200 3.116 2.840 3.249 0.049  9 0 "[    .    1    .    2]" 2 
       93 1 192 ASP O 1 196 GLU H . . 2.300 1.951 1.708 2.180     .  0 0 "[    .    1    .    2]" 2 
       94 1 192 ASP O 1 196 GLU N . . 3.200 2.899 2.710 3.159     .  0 0 "[    .    1    .    2]" 2 
       95 1 193 THR O 1 197 LEU H . . 2.300 2.333 1.978 2.682 0.382  6 0 "[    .    1    .    2]" 2 
       96 1 193 THR O 1 197 LEU N . . 3.200 3.106 2.925 3.250 0.050  6 0 "[    .    1    .    2]" 2 
    stop_

save_



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