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
484091 2fhm 6884 cing 4-filtered-FRED Wattos check violation distance


data_2fhm


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              825
    _Distance_constraint_stats_list.Viol_count                    2107
    _Distance_constraint_stats_list.Viol_total                    12755.868
    _Distance_constraint_stats_list.Viol_max                      3.819
    _Distance_constraint_stats_list.Viol_rms                      0.2096
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0387
    _Distance_constraint_stats_list.Viol_average_violations_only  0.3027
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

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

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


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

       1  1 MET 63.006 2.551 13 20  [************+******-]  
       1  2 LEU 20.644 1.497  1 13 "[+**** - ** *  *** *2]" 
       1  3 GLN 90.287 3.819  8 20  [*******+*-**********]  
       1  4 TYR 60.362 3.819  8 20  [*******+***-********]  
       1  5 ARG  0.783 0.117 19  0 "[    .    1    .    2]" 
       1  6 ILE 33.610 1.670 19 20  [********-*********+*]  
       1  7 ILE  6.227 0.387 11  0 "[    .    1    .    2]" 
       1  8 VAL 52.548 3.592  6 20  [*****+-*************]  
       1  9 ASP  9.465 0.582  4  7 "[ **+-  **1*   .    2]" 
       1 10 GLY  0.017 0.011  6  0 "[    .    1    .    2]" 
       1 11 ARG 22.607 1.713 18 13 "[*- *.****1  * ***+ *]" 
       1 12 VAL 25.377 1.307  7 17 "[ ***.*+************2]" 
       1 13 GLN 69.142 2.251 12 20  [***********+**-*****]  
       1 18 ARG 51.961 3.592  6 20  [*****+********-*****]  
       1 19 TYR 13.853 0.786  8 18 "[***-***+***** *** **]" 
       1 20 PHE 27.124 0.896  9 18 "[********+**** -** **]" 
       1 21 VAL 34.689 2.682 17 20  [**********-*****+***]  
       1 22 GLN  1.684 0.265 16  0 "[    .    1    .    2]" 
       1 23 MET  1.486 0.077 15  0 "[    .    1    .    2]" 
       1 24 GLU 19.553 1.019  5 15 "[****+** ***  -.****2]" 
       1 25 ALA  6.152 1.032 18  1 "[    .    1    .  + 2]" 
       1 26 ASP  0.725 0.113 19  0 "[    .    1    .    2]" 
       1 27 LYS 15.296 1.278  5 12 "[*  *+****-    .** **]" 
       1 28 ARG  1.136 0.110 18  0 "[    .    1    .    2]" 
       1 29 LYS  0.364 0.110 18  0 "[    .    1    .    2]" 
       1 30 LEU  8.960 0.445 12  0 "[    .    1    .    2]" 
       1 31 ALA  0.812 0.474  5  0 "[    .    1    .    2]" 
       1 32 GLY  6.883 0.584 13  2 "[    .    1  + .   -2]" 
       1 33 TRP 19.236 1.627 11 18 "[-** **** *+*********]" 
       1 34 VAL 86.544 2.251 12 20  [-**********+********]  
       1 35 LYS 25.811 2.293  6 10 "[  * .+* **    ***- *]" 
       1 36 ASN  1.087 0.104 15  0 "[    .    1    .    2]" 
       1 37 ARG 11.961 3.141  9  8 "[*-  .   +*** *.*   2]" 
       1 39 ASP 10.239 3.141  9  8 "[*-  .   +*** *.*   2]" 
       1 40 GLY  0.171 0.123  9  0 "[    .    1    .    2]" 
       1 41 ARG  0.420 0.069 15  0 "[    .    1    .    2]" 
       1 42 VAL 34.304 2.365  6  6 "[    .+*  *    * *- 2]" 
       1 43 GLU 12.237 0.963 10  4 "[    .   -+    **   2]" 
       1 44 ILE 34.886 1.670 19 20  [********-*********+*]  
       1 45 LEU 10.937 0.584 13  2 "[    .    1  + .   -2]" 
       1 46 ALA  2.747 0.297  5  0 "[    .    1    .    2]" 
       1 47 GLU  0.424 0.116  9  0 "[    .    1    .    2]" 
       1 48 GLY  0.194 0.034  3  0 "[    .    1    .    2]" 
       1 49 PRO  1.622 0.084  1  0 "[    .    1    .    2]" 
       1 50 GLU  0.091 0.022  8  0 "[    .    1    .    2]" 
       1 51 ASN  0.224 0.054  4  0 "[    .    1    .    2]" 
       1 52 ALA  1.738 0.084  1  0 "[    .    1    .    2]" 
       1 53 LEU  7.862 0.685 18  2 "[    .    1 -  .  + 2]" 
       1 54 GLN  3.481 0.091 18  0 "[    .    1    .    2]" 
       1 55 SER  2.787 0.091 18  0 "[    .    1    .    2]" 
       1 56 PHE  6.342 0.292 18  0 "[    .    1    .    2]" 
       1 57 VAL 21.377 1.340  4 19 "[***+-************* *]" 
       1 58 GLU  2.296 0.080  8  0 "[    .    1    .    2]" 
       1 59 ALA 20.230 1.278  5 12 "[*  *+****-    .** **]" 
       1 60 VAL 26.287 1.019  5 15 "[****+** ***  -.****2]" 
       1 61 LYS 30.385 1.340  4 20  [***+**********-*****]  
       1 62 ASN  0.746 0.074  2  0 "[    .    1    .    2]" 
       1 63 GLY 10.375 0.922 19 12 "[ ****  **1* * - * +*]" 
       1 64 SER  0.213 0.078  1  0 "[    .    1    .    2]" 
       1 65 PRO  1.017 0.074  2  0 "[    .    1    .    2]" 
       1 66 PHE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 67 SER 26.471 2.682 17 19 "[******-*********+ **]" 
       1 68 LYS 19.556 1.713 18 13 "[*- *.****1  * ***+ *]" 
       1 69 VAL 16.272 1.151 13 17 "[ -**.*******+**** **]" 
       1 70 THR  0.021 0.015 18  0 "[    .    1    .    2]" 
       1 71 ASP 32.255 1.307  7 18 "[ -**.*+*************]" 
       1 72 ILE  0.041 0.023  9  0 "[    .    1    .    2]" 
       1 73 SER  0.020 0.012  5  0 "[    .    1    .    2]" 
       1 74 VAL  0.333 0.086  6  0 "[    .    1    .    2]" 
       1 75 THR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 76 GLU  0.702 0.117 19  0 "[    .    1    .    2]" 
       1 77 SER  0.338 0.175 14  0 "[    .    1    .    2]" 
       1 78 ARG 24.836 1.497  1 18 "[+************-*** *2]" 
       1 79 SER  2.074 0.324 11  0 "[    .    1    .    2]" 
       1 80 LEU 42.858 2.329 13 20  [************+******-]  
       1 81 GLU  9.984 1.897 13  7 "[*  -.*   1* +*.   *2]" 
       1 82 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 83 HIS  1.297 0.267  2  0 "[    .    1    .    2]" 
       1 85 ARG  0.285 0.077 13  0 "[    .    1    .    2]" 
       1 86 PHE  2.801 1.032 18  1 "[    .    1    .  + 2]" 
       1 87 SER  0.095 0.051 20  0 "[    .    1    .    2]" 
       1 88 ILE  6.173 0.536 18  3 "[    .    1- * .  + 2]" 
       1 89 VAL 26.424 2.293  6 17 "[ ***.+***1*********-]" 
       1 90 TYR  0.503 0.080 18  0 "[    .    1    .    2]" 
       1 91 SER 14.295 1.298  7 15 "[ * *.*+**1****** *-*]" 
    stop_

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

         1 1  1 MET HA  1  1 MET QG  . . 3.500 2.203 2.093  2.312     .  0  0 "[    .    1    .    2]" 1 
         2 1  1 MET HA  1  2 LEU H   . . 2.800 2.717 2.290  2.859 0.059  5  0 "[    .    1    .    2]" 1 
         3 1  1 MET HA  1 49 PRO HA  . . 3.500 3.327 2.200  3.536 0.036 10  0 "[    .    1    .    2]" 1 
         4 1  1 MET QB  1  1 MET ME  . . 2.800 2.153 2.044  2.216     .  0  0 "[    .    1    .    2]" 1 
         5 1  1 MET QB  1  2 LEU H   . . 3.500 2.671 1.956  3.097     .  0  0 "[    .    1    .    2]" 1 
         6 1  1 MET QB  1  2 LEU HG  . . 7.000 6.212 5.275  6.629     .  0  0 "[    .    1    .    2]" 1 
         7 1  1 MET QB  1 48 GLY H   . . 4.500 4.338 3.809  4.534 0.034  3  0 "[    .    1    .    2]" 1 
         8 1  1 MET QB  1 80 LEU QD  . . 3.500 2.107 1.923  2.391     .  0  0 "[    .    1    .    2]" 1 
         9 1  1 MET ME  1  1 MET QG  . . 2.800 2.386 2.328  2.468     .  0  0 "[    .    1    .    2]" 1 
        10 1  1 MET ME  1  2 LEU QB  . . 4.500 4.546 4.513  4.642 0.142  6  0 "[    .    1    .    2]" 1 
        11 1  1 MET ME  1  3 GLN QE  . . 5.500 6.648 5.792  8.051 2.551 13 17 "[****** * -**+******2]" 1 
        12 1  1 MET ME  1  3 GLN QG  . . 7.000 6.002 5.359  7.631 0.631 13  1 "[    .    1  + .    2]" 1 
        13 1  1 MET ME  1 30 LEU HG  . . 7.000 7.229 6.763  7.445 0.445 12  0 "[    .    1    .    2]" 1 
        14 1  1 MET ME  1 48 GLY QA  . . 3.500 2.410 2.237  2.517     .  0  0 "[    .    1    .    2]" 1 
        15 1  1 MET ME  1 49 PRO QD  . . 4.500 3.440 2.120  3.833     .  0  0 "[    .    1    .    2]" 1 
        16 1  1 MET ME  1 80 LEU HA  . . 3.500 4.612 3.992  5.829 2.329 13 19 "[************+*** **-]" 1 
        17 1  1 MET ME  1 80 LEU QD  . . 3.500 2.213 1.960  2.841     .  0  0 "[    .    1    .    2]" 1 
        18 1  1 MET ME  1 81 GLU QG  . . 5.500 5.862 4.978  7.397 1.897 13  7 "[*  -.*   1* +*.   *2]" 1 
        19 1  1 MET ME  1 83 HIS QB  . . 7.000 6.218 4.847  7.267 0.267  2  0 "[    .    1    .    2]" 1 
        20 1  1 MET QG  1  2 LEU H   . . 7.000 2.245 1.785  3.673     .  0  0 "[    .    1    .    2]" 1 
        21 1  1 MET QG  1  2 LEU QB  . . 5.500 3.904 3.492  4.814     .  0  0 "[    .    1    .    2]" 1 
        22 1  1 MET QG  1 48 GLY H   . . 7.000 3.863 3.428  5.392     .  0  0 "[    .    1    .    2]" 1 
        23 1  1 MET QG  1 52 ALA H   . . 7.000 6.588 6.243  7.056 0.056  1  0 "[    .    1    .    2]" 1 
        24 1  1 MET QG  1 80 LEU QD  . . 4.500 3.587 3.309  3.794     .  0  0 "[    .    1    .    2]" 1 
        25 1  2 LEU H   1  2 LEU QB  . . 3.500 2.460 2.235  2.661     .  0  0 "[    .    1    .    2]" 1 
        26 1  2 LEU H   1  2 LEU HG  . . 4.500 4.484 3.891  4.611 0.111  8  0 "[    .    1    .    2]" 1 
        27 1  2 LEU H   1 49 PRO HA  . . 5.500 3.360 3.146  3.614     .  0  0 "[    .    1    .    2]" 1 
        28 1  2 LEU H   1 49 PRO QD  . . 5.500 4.981 4.802  5.137     .  0  0 "[    .    1    .    2]" 1 
        29 1  2 LEU H   1 53 LEU QD  . . 3.500 3.375 2.809  3.525 0.025 14  0 "[    .    1    .    2]" 1 
        30 1  2 LEU H   1 80 LEU QD  . . 3.500 3.203 2.621  3.526 0.026  5  0 "[    .    1    .    2]" 1 
        31 1  2 LEU HA  1  2 LEU QD  . . 3.500 2.472 2.190  3.135     .  0  0 "[    .    1    .    2]" 1 
        32 1  2 LEU HA  1  3 GLN H   . . 2.800 2.533 2.445  2.621     .  0  0 "[    .    1    .    2]" 1 
        33 1  2 LEU HA  1 80 LEU QD  . . 3.500 3.312 2.977  3.544 0.044  5  0 "[    .    1    .    2]" 1 
        34 1  2 LEU QB  1  3 GLN H   . . 2.800 2.456 1.966  2.851 0.051 12  0 "[    .    1    .    2]" 1 
        35 1  2 LEU QB  1 48 GLY H   . . 5.500 3.917 3.782  4.134     .  0  0 "[    .    1    .    2]" 1 
        36 1  2 LEU QB  1 51 ASN H   . . 7.000 5.814 5.397  6.190     .  0  0 "[    .    1    .    2]" 1 
        37 1  2 LEU QB  1 53 LEU QD  . . 2.800 1.987 1.909  2.094     .  0  0 "[    .    1    .    2]" 1 
        38 1  2 LEU QB  1 77 SER H   . . 5.500 4.519 3.727  5.301     .  0  0 "[    .    1    .    2]" 1 
        39 1  2 LEU QB  1 80 LEU H   . . 7.000 6.942 6.232  7.131 0.131 17  0 "[    .    1    .    2]" 1 
        40 1  2 LEU QD  1 78 ARG HA  . . 3.500 3.098 2.179  3.558 0.058  7  0 "[    .    1    .    2]" 1 
        41 1  2 LEU QD  1 78 ARG QB  . . 2.800 3.627 2.213  4.297 1.497  1 13 "[+**** - ** *  *** *2]" 1 
        42 1  3 GLN H   1  4 TYR H   . . 5.500 4.351 4.252  4.380     .  0  0 "[    .    1    .    2]" 1 
        43 1  3 GLN H   1 53 LEU QD  . . 4.500 3.004 2.826  3.318     .  0  0 "[    .    1    .    2]" 1 
        44 1  3 GLN H   1 77 SER H   . . 3.500 2.823 2.687  3.054     .  0  0 "[    .    1    .    2]" 1 
        45 1  3 GLN H   1 80 LEU QD  . . 4.500 4.388 3.887  5.058 0.558  5  1 "[    +    1    .    2]" 1 
        46 1  3 GLN HA  1  4 TYR H   . . 2.800 2.355 2.274  2.408     .  0  0 "[    .    1    .    2]" 1 
        47 1  3 GLN HA  1 48 GLY H   . . 4.500 3.277 2.940  3.626     .  0  0 "[    .    1    .    2]" 1 
        48 1  3 GLN HA  1 53 LEU QD  . . 4.500 2.485 2.319  2.784     .  0  0 "[    .    1    .    2]" 1 
        49 1  3 GLN QB  1  4 TYR H   . . 4.500 3.555 3.450  3.684     .  0  0 "[    .    1    .    2]" 1 
        50 1  3 GLN QB  1 77 SER QB  . . 3.500 2.573 2.203  3.397     .  0  0 "[    .    1    .    2]" 1 
        51 1  3 GLN QB  1 80 LEU QD  . . 2.800 3.108 2.305  4.146 1.346 17  9 "[   -** * 1* **. +  *]" 1 
        52 1  3 GLN QB  1 80 LEU HG  . . 5.500 4.702 3.960  5.501 0.001 14  0 "[    .    1    .    2]" 1 
        53 1  3 GLN QE  1  4 TYR QE  . . 4.500 7.266 6.435  8.319 3.819  8 20  [*******+******-*****]  1 
        54 1  3 GLN QE  1 45 LEU QD  . . 3.500 2.619 1.997  3.521 0.021  6  0 "[    .    1    .    2]" 1 
        55 1  3 GLN QE  1 79 SER H   . . 5.500 4.813 3.884  5.804 0.304  5  0 "[    .    1    .    2]" 1 
        56 1  3 GLN QE  1 80 LEU HA  . . 4.500 3.644 2.870  4.520 0.020  4  0 "[    .    1    .    2]" 1 
        57 1  3 GLN QE  1 81 GLU H   . . 4.500 4.212 3.590  4.551 0.051  3  0 "[    .    1    .    2]" 1 
        58 1  3 GLN QE  1 81 GLU QG  . . 3.500 2.652 1.972  3.276     .  0  0 "[    .    1    .    2]" 1 
        59 1  3 GLN QG  1  4 TYR H   . . 3.500 2.319 2.173  2.472     .  0  0 "[    .    1    .    2]" 1 
        60 1  3 GLN QG  1 45 LEU QD  . . 3.500 2.991 2.228  3.400     .  0  0 "[    .    1    .    2]" 1 
        61 1  3 GLN QG  1 46 ALA H   . . 5.500 3.156 2.867  3.541     .  0  0 "[    .    1    .    2]" 1 
        62 1  4 TYR H   1  4 TYR QB  . . 3.500 3.133 3.036  3.236     .  0  0 "[    .    1    .    2]" 1 
        63 1  4 TYR H   1  4 TYR QD  . . 4.500 3.446 3.305  3.546     .  0  0 "[    .    1    .    2]" 1 
        64 1  4 TYR H   1 45 LEU QD  . . 5.500 4.401 3.829  4.819     .  0  0 "[    .    1    .    2]" 1 
        65 1  4 TYR H   1 46 ALA H   . . 4.500 2.821 2.732  2.934     .  0  0 "[    .    1    .    2]" 1 
        66 1  4 TYR H   1 48 GLY H   . . 5.500 5.287 5.007  5.525 0.025  6  0 "[    .    1    .    2]" 1 
        67 1  4 TYR H   1 53 LEU QD  . . 4.500 2.732 2.405  3.110     .  0  0 "[    .    1    .    2]" 1 
        68 1  4 TYR H   1 53 LEU HG  . . 5.500 5.692 5.274  6.185 0.685 18  2 "[    .    1 -  .  + 2]" 1 
        69 1  4 TYR HA  1  4 TYR QD  . . 4.500 3.795 3.782  3.814     .  0  0 "[    .    1    .    2]" 1 
        70 1  4 TYR HA  1  5 ARG H   . . 2.800 2.317 2.251  2.361     .  0  0 "[    .    1    .    2]" 1 
        71 1  4 TYR HA  1 76 GLU HA  . . 3.500 2.122 2.047  2.309     .  0  0 "[    .    1    .    2]" 1 
        72 1  4 TYR HA  1 77 SER H   . . 5.500 3.430 2.985  3.727     .  0  0 "[    .    1    .    2]" 1 
        73 1  4 TYR QB  1  5 ARG H   . . 4.500 2.381 2.314  2.456     .  0  0 "[    .    1    .    2]" 1 
        74 1  4 TYR QB  1  6 ILE MD  . . 3.500 2.986 2.701  3.485     .  0  0 "[    .    1    .    2]" 1 
        75 1  4 TYR QB  1 46 ALA H   . . 5.500 4.562 4.485  4.661     .  0  0 "[    .    1    .    2]" 1 
        76 1  4 TYR QB  1 46 ALA MB  . . 5.500 4.854 4.673  5.116     .  0  0 "[    .    1    .    2]" 1 
        77 1  4 TYR QB  1 56 PHE QB  . . 7.000 5.753 5.366  6.234     .  0  0 "[    .    1    .    2]" 1 
        78 1  4 TYR QB  1 57 VAL QG  . . 3.500 3.369 3.121  3.508 0.008  5  0 "[    .    1    .    2]" 1 
        79 1  4 TYR QD  1  5 ARG H   . . 4.500 3.416 3.309  3.587     .  0  0 "[    .    1    .    2]" 1 
        80 1  4 TYR QD  1  6 ILE MD  . . 4.500 2.809 2.695  3.193     .  0  0 "[    .    1    .    2]" 1 
        81 1  4 TYR QD  1 44 ILE MD  . . 5.500 5.132 4.903  5.419     .  0  0 "[    .    1    .    2]" 1 
        82 1  4 TYR QD  1 44 ILE MG  . . 4.500 4.207 4.094  4.327     .  0  0 "[    .    1    .    2]" 1 
        83 1  4 TYR QD  1 46 ALA MB  . . 4.500 3.745 3.608  3.965     .  0  0 "[    .    1    .    2]" 1 
        84 1  4 TYR QD  1 53 LEU QD  . . 3.500 2.316 2.217  2.814     .  0  0 "[    .    1    .    2]" 1 
        85 1  4 TYR QD  1 57 VAL H   . . 5.500 4.611 4.381  5.002     .  0  0 "[    .    1    .    2]" 1 
        86 1  4 TYR QD  1 57 VAL QG  . . 3.500 2.944 2.407  3.158     .  0  0 "[    .    1    .    2]" 1 
        87 1  4 TYR QD  1 60 VAL QG  . . 5.500 5.530 5.501  5.557 0.057 10  0 "[    .    1    .    2]" 1 
        88 1  4 TYR QD  1 74 VAL QG  . . 5.500 4.048 3.822  4.265     .  0  0 "[    .    1    .    2]" 1 
        89 1  4 TYR QD  1 76 GLU HA  . . 5.500 5.416 5.117  5.548 0.048 19  0 "[    .    1    .    2]" 1 
        90 1  4 TYR QD  1 77 SER H   . . 7.000 6.413 6.019  6.737     .  0  0 "[    .    1    .    2]" 1 
        91 1  4 TYR QE  1 56 PHE H   . . 7.000 4.900 4.376  5.257     .  0  0 "[    .    1    .    2]" 1 
        92 1  5 ARG H   1  5 ARG QB  . . 3.500 2.734 2.633  2.848     .  0  0 "[    .    1    .    2]" 1 
        93 1  5 ARG H   1  6 ILE H   . . 4.500 4.201 4.107  4.326     .  0  0 "[    .    1    .    2]" 1 
        94 1  5 ARG H   1 76 GLU HA  . . 3.500 3.496 3.320  3.617 0.117 19  0 "[    .    1    .    2]" 1 
        95 1  5 ARG HA  1  5 ARG QG  . . 3.500 2.440 2.251  2.694     .  0  0 "[    .    1    .    2]" 1 
        96 1  5 ARG HA  1  6 ILE H   . . 2.800 2.272 2.219  2.324     .  0  0 "[    .    1    .    2]" 1 
        97 1  5 ARG HA  1 45 LEU HA  . . 4.500 2.450 2.278  2.749     .  0  0 "[    .    1    .    2]" 1 
        98 1  5 ARG HA  1 45 LEU QD  . . 4.500 3.463 2.684  4.007     .  0  0 "[    .    1    .    2]" 1 
        99 1  5 ARG HA  1 45 LEU HG  . . 5.500 3.575 2.784  5.024     .  0  0 "[    .    1    .    2]" 1 
       100 1  5 ARG HA  1 46 ALA H   . . 5.500 4.033 3.879  4.291     .  0  0 "[    .    1    .    2]" 1 
       101 1  5 ARG QB  1  5 ARG QD  . . 3.500 2.233 2.111  2.398     .  0  0 "[    .    1    .    2]" 1 
       102 1  5 ARG QB  1 75 THR HB  . . 4.500 2.409 2.113  2.870     .  0  0 "[    .    1    .    2]" 1 
       103 1  5 ARG QD  1  7 ILE MD  . . 4.500 3.732 2.586  4.595 0.095  7  0 "[    .    1    .    2]" 1 
       104 1  5 ARG QG  1  6 ILE H   . . 4.500 3.090 2.455  4.499     .  0  0 "[    .    1    .    2]" 1 
       105 1  5 ARG QG  1 45 LEU QD  . . 2.800 2.500 1.973  2.805 0.005 11  0 "[    .    1    .    2]" 1 
       106 1  5 ARG QG  1 45 LEU HG  . . 4.500 3.558 2.261  4.513 0.013 13  0 "[    .    1    .    2]" 1 
       107 1  6 ILE H   1  6 ILE HB  . . 3.500 2.657 2.575  3.073     .  0  0 "[    .    1    .    2]" 1 
       108 1  6 ILE H   1  6 ILE MD  . . 4.500 4.105 4.028  4.243     .  0  0 "[    .    1    .    2]" 1 
       109 1  6 ILE H   1  6 ILE QG  . . 3.500 3.019 2.590  3.127     .  0  0 "[    .    1    .    2]" 1 
       110 1  6 ILE H   1  6 ILE MG  . . 4.500 3.857 3.818  4.017     .  0  0 "[    .    1    .    2]" 1 
       111 1  6 ILE H   1 44 ILE H   . . 3.500 2.759 2.684  2.951     .  0  0 "[    .    1    .    2]" 1 
       112 1  6 ILE H   1 45 LEU HA  . . 5.500 3.714 3.513  3.909     .  0  0 "[    .    1    .    2]" 1 
       113 1  6 ILE HA  1  6 ILE MD  . . 4.500 3.927 3.894  3.983     .  0  0 "[    .    1    .    2]" 1 
       114 1  6 ILE HA  1  6 ILE MG  . . 2.800 2.490 2.262  2.543     .  0  0 "[    .    1    .    2]" 1 
       115 1  6 ILE HA  1  7 ILE H   . . 2.800 2.259 2.223  2.289     .  0  0 "[    .    1    .    2]" 1 
       116 1  6 ILE HA  1 73 SER H   . . 5.500 4.484 4.397  4.581     .  0  0 "[    .    1    .    2]" 1 
       117 1  6 ILE HA  1 74 VAL QG  . . 4.500 3.085 2.820  3.487     .  0  0 "[    .    1    .    2]" 1 
       118 1  6 ILE HB  1  6 ILE MD  . . 3.500 2.369 2.327  2.520     .  0  0 "[    .    1    .    2]" 1 
       119 1  6 ILE HB  1  6 ILE QG  . . 2.800 2.399 2.300  2.421     .  0  0 "[    .    1    .    2]" 1 
       120 1  6 ILE HB  1 44 ILE H   . . 4.500 3.240 3.102  3.396     .  0  0 "[    .    1    .    2]" 1 
       121 1  6 ILE HB  1 44 ILE MD  . . 2.800 2.772 2.384  3.217 0.417 19  0 "[    .    1    .    2]" 1 
       122 1  6 ILE MD  1 44 ILE MG  . . 3.500 3.392 3.009  3.511 0.011 19  0 "[    .    1    .    2]" 1 
       123 1  6 ILE MD  1 56 PHE QD  . . 3.500 2.701 2.457  3.016     .  0  0 "[    .    1    .    2]" 1 
       124 1  6 ILE MD  1 57 VAL QG  . . 2.800 1.991 1.953  2.044     .  0  0 "[    .    1    .    2]" 1 
       125 1  6 ILE MD  1 59 ALA MB  . . 7.000 6.054 5.733  6.334     .  0  0 "[    .    1    .    2]" 1 
       126 1  6 ILE MD  1 60 VAL QG  . . 2.800 2.985 2.691  3.229 0.429 15  0 "[    .    1    .    2]" 1 
       127 1  6 ILE QG  1  6 ILE MG  . . 2.800 2.359 2.331  2.481     .  0  0 "[    .    1    .    2]" 1 
       128 1  6 ILE QG  1 44 ILE MD  . . 2.800 4.084 3.682  4.470 1.670 19 20  [********-*********+*]  1 
       129 1  6 ILE QG  1 46 ALA MB  . . 5.500 5.601 5.096  5.797 0.297  5  0 "[    .    1    .    2]" 1 
       130 1  6 ILE MG  1  7 ILE H   . . 4.500 2.455 2.265  2.576     .  0  0 "[    .    1    .    2]" 1 
       131 1  6 ILE MG  1 44 ILE H   . . 4.500 3.993 3.706  4.640 0.140  9  0 "[    .    1    .    2]" 1 
       132 1  6 ILE MG  1 57 VAL QG  . . 3.500 3.399 3.141  3.520 0.020 10  0 "[    .    1    .    2]" 1 
       133 1  6 ILE MG  1 72 ILE QG  . . 4.500 2.510 2.259  2.733     .  0  0 "[    .    1    .    2]" 1 
       134 1  6 ILE MG  1 74 VAL QG  . . 2.800 2.425 2.253  2.672     .  0  0 "[    .    1    .    2]" 1 
       135 1  7 ILE H   1  7 ILE HB  . . 3.500 3.441 3.323  3.553 0.053  4  0 "[    .    1    .    2]" 1 
       136 1  7 ILE H   1  7 ILE MD  . . 4.500 3.182 3.000  3.344     .  0  0 "[    .    1    .    2]" 1 
       137 1  7 ILE H   1  8 VAL H   . . 4.500 4.278 4.234  4.330     .  0  0 "[    .    1    .    2]" 1 
       138 1  7 ILE H   1 73 SER H   . . 3.500 2.873 2.816  2.936     .  0  0 "[    .    1    .    2]" 1 
       139 1  7 ILE H   1 74 VAL HA  . . 4.500 3.765 3.633  3.857     .  0  0 "[    .    1    .    2]" 1 
       140 1  7 ILE HA  1  7 ILE MD  . . 3.500 3.233 3.012  3.445     .  0  0 "[    .    1    .    2]" 1 
       141 1  7 ILE HA  1  7 ILE MG  . . 2.800 2.159 2.143  2.181     .  0  0 "[    .    1    .    2]" 1 
       142 1  7 ILE HA  1  8 VAL H   . . 2.800 2.234 2.179  2.276     .  0  0 "[    .    1    .    2]" 1 
       143 1  7 ILE HA  1  8 VAL QG  . . 3.500 3.103 2.857  3.285     .  0  0 "[    .    1    .    2]" 1 
       144 1  7 ILE HA  1 42 VAL H   . . 5.500 4.620 4.283  4.932     .  0  0 "[    .    1    .    2]" 1 
       145 1  7 ILE HA  1 43 GLU HA  . . 3.500 2.302 2.238  2.391     .  0  0 "[    .    1    .    2]" 1 
       146 1  7 ILE HA  1 44 ILE H   . . 3.500 3.672 3.594  3.723 0.223  1  0 "[    .    1    .    2]" 1 
       147 1  7 ILE HB  1  7 ILE MD  . . 3.500 3.268 3.208  3.308     .  0  0 "[    .    1    .    2]" 1 
       148 1  7 ILE HB  1 37 ARG QD  . . 4.500 4.371 4.003  4.553 0.053  9  0 "[    .    1    .    2]" 1 
       149 1  7 ILE HB  1 73 SER H   . . 4.500 4.248 3.931  4.512 0.012  5  0 "[    .    1    .    2]" 1 
       150 1  7 ILE MD  1  8 VAL H   . . 5.500 4.981 4.791  5.128     .  0  0 "[    .    1    .    2]" 1 
       151 1  7 ILE MD  1  8 VAL QG  . . 5.500 4.921 4.724  5.100     .  0  0 "[    .    1    .    2]" 1 
       152 1  7 ILE MD  1 37 ARG QD  . . 3.500 3.558 3.297  3.887 0.387 11  0 "[    .    1    .    2]" 1 
       153 1  7 ILE MD  1 43 GLU HA  . . 4.500 3.789 3.317  4.075     .  0  0 "[    .    1    .    2]" 1 
       154 1  7 ILE MD  1 43 GLU QB  . . 4.500 3.796 3.340  4.133     .  0  0 "[    .    1    .    2]" 1 
       155 1  7 ILE MD  1 43 GLU QG  . . 2.800 2.594 2.250  2.860 0.060  4  0 "[    .    1    .    2]" 1 
       156 1  7 ILE MG  1  8 VAL H   . . 3.500 2.847 2.576  3.123     .  0  0 "[    .    1    .    2]" 1 
       157 1  7 ILE MG  1 12 VAL QG  . . 5.500 5.409 5.113  5.529 0.029  4  0 "[    .    1    .    2]" 1 
       158 1  7 ILE MG  1 37 ARG QD  . . 2.800 2.096 1.962  2.289     .  0  0 "[    .    1    .    2]" 1 
       159 1  7 ILE MG  1 42 VAL H   . . 5.500 3.856 3.143  4.380     .  0  0 "[    .    1    .    2]" 1 
       160 1  7 ILE MG  1 42 VAL QG  . . 4.500 4.492 4.305  4.638 0.138  6  0 "[    .    1    .    2]" 1 
       161 1  8 VAL H   1  8 VAL QG  . . 2.800 2.246 2.159  2.367     .  0  0 "[    .    1    .    2]" 1 
       162 1  8 VAL H   1  9 ASP H   . . 5.500 4.425 4.367  4.474     .  0  0 "[    .    1    .    2]" 1 
       163 1  8 VAL H   1 12 VAL HB  . . 5.500 5.771 5.348  6.068 0.568  9  3 "[    . -*+1    .    2]" 1 
       164 1  8 VAL H   1 18 ARG QB  . . 7.000 8.463 7.702 10.592 3.592  6 20  [*****+*****-********]  1 
       165 1  8 VAL H   1 42 VAL H   . . 4.500 2.900 2.604  3.128     .  0  0 "[    .    1    .    2]" 1 
       166 1  8 VAL H   1 42 VAL QG  . . 3.500 3.909 3.843  4.063 0.563  7  1 "[    . +  1    .    2]" 1 
       167 1  8 VAL H   1 43 GLU HA  . . 5.500 3.680 3.511  3.768     .  0  0 "[    .    1    .    2]" 1 
       168 1  8 VAL HB  1  9 ASP H   . . 4.500 2.781 2.605  3.127     .  0  0 "[    .    1    .    2]" 1 
       169 1  8 VAL HB  1 10 GLY QA  . . 5.500 5.242 5.061  5.511 0.011  6  0 "[    .    1    .    2]" 1 
       170 1  8 VAL HB  1 12 VAL QG  . . 4.500 2.360 2.115  2.739     .  0  0 "[    .    1    .    2]" 1 
       171 1  8 VAL QG  1  9 ASP H   . . 2.800 3.273 3.167  3.382 0.582  4  7 "[ **+-  **1*   .    2]" 1 
       172 1  8 VAL QG  1 10 GLY QA  . . 7.000 5.174 4.949  5.352     .  0  0 "[    .    1    .    2]" 1 
       173 1  8 VAL QG  1 42 VAL HB  . . 2.800 2.124 2.021  2.366     .  0  0 "[    .    1    .    2]" 1 
       174 1  8 VAL QG  1 72 ILE HA  . . 4.500 2.394 2.186  2.624     .  0  0 "[    .    1    .    2]" 1 
       175 1  8 VAL QG  1 72 ILE HB  . . 2.800 2.253 2.202  2.516     .  0  0 "[    .    1    .    2]" 1 
       176 1  8 VAL QG  1 72 ILE QG  . . 3.500 2.122 2.080  2.161     .  0  0 "[    .    1    .    2]" 1 
       177 1  9 ASP H   1  9 ASP QB  . . 2.800 2.680 2.567  2.786     .  0  0 "[    .    1    .    2]" 1 
       178 1  9 ASP H   1 10 GLY QA  . . 5.500 4.397 4.330  4.499     .  0  0 "[    .    1    .    2]" 1 
       179 1  9 ASP H   1 71 ASP H   . . 4.500 2.995 2.921  3.069     .  0  0 "[    .    1    .    2]" 1 
       180 1  9 ASP H   1 72 ILE HB  . . 5.500 4.476 4.314  4.705     .  0  0 "[    .    1    .    2]" 1 
       181 1  9 ASP HA  1 10 GLY H   . . 2.800 2.355 2.309  2.410     .  0  0 "[    .    1    .    2]" 1 
       182 1  9 ASP HA  1 12 VAL QG  . . 3.500 2.178 2.010  2.550     .  0  0 "[    .    1    .    2]" 1 
       183 1  9 ASP QB  1 10 GLY H   . . 4.500 3.484 3.346  3.638     .  0  0 "[    .    1    .    2]" 1 
       184 1  9 ASP QB  1 41 ARG QD  . . 4.500 2.764 2.080  4.197     .  0  0 "[    .    1    .    2]" 1 
       185 1 10 GLY H   1 10 GLY QA  . . 2.800 2.467 2.448  2.479     .  0  0 "[    .    1    .    2]" 1 
       186 1 10 GLY H   1 42 VAL HB  . . 7.000 6.388 6.126  6.611     .  0  0 "[    .    1    .    2]" 1 
       187 1 10 GLY H   1 68 LYS H   . . 7.000 6.717 6.473  6.929     .  0  0 "[    .    1    .    2]" 1 
       188 1 10 GLY H   1 70 THR H   . . 5.500 4.351 4.246  4.474     .  0  0 "[    .    1    .    2]" 1 
       189 1 10 GLY H   1 70 THR MG  . . 5.500 5.083 4.830  5.338     .  0  0 "[    .    1    .    2]" 1 
       190 1 10 GLY QA  1 11 ARG H   . . 2.800 2.245 2.199  2.285     .  0  0 "[    .    1    .    2]" 1 
       191 1 10 GLY QA  1 70 THR H   . . 3.500 2.448 2.328  2.666     .  0  0 "[    .    1    .    2]" 1 
       192 1 10 GLY QA  1 70 THR MG  . . 2.800 2.648 2.439  2.803 0.003 18  0 "[    .    1    .    2]" 1 
       193 1 10 GLY QA  1 71 ASP H   . . 5.500 3.869 3.745  4.212     .  0  0 "[    .    1    .    2]" 1 
       194 1 11 ARG H   1 12 VAL H   . . 5.500 3.735 3.360  4.062     .  0  0 "[    .    1    .    2]" 1 
       195 1 11 ARG H   1 12 VAL QG  . . 4.500 3.329 3.128  3.727     .  0  0 "[    .    1    .    2]" 1 
       196 1 11 ARG H   1 68 LYS H   . . 5.500 3.239 2.985  4.079     .  0  0 "[    .    1    .    2]" 1 
       197 1 11 ARG H   1 70 THR H   . . 5.500 4.634 4.464  4.910     .  0  0 "[    .    1    .    2]" 1 
       198 1 11 ARG H   1 70 THR MG  . . 4.500 3.608 3.327  4.025     .  0  0 "[    .    1    .    2]" 1 
       199 1 11 ARG HA  1 12 VAL H   . . 2.800 2.359 2.173  2.606     .  0  0 "[    .    1    .    2]" 1 
       200 1 11 ARG HA  1 12 VAL QG  . . 3.500 3.630 3.474  3.798 0.298 13  0 "[    .    1    .    2]" 1 
       201 1 11 ARG HA  1 13 GLN H   . . 4.500 3.291 2.983  3.474     .  0  0 "[    .    1    .    2]" 1 
       202 1 11 ARG QB  1 13 GLN H   . . 5.500 4.636 4.269  4.904     .  0  0 "[    .    1    .    2]" 1 
       203 1 11 ARG QB  1 68 LYS H   . . 5.500 2.501 2.280  3.188     .  0  0 "[    .    1    .    2]" 1 
       204 1 11 ARG QB  1 68 LYS QG  . . 2.800 3.385 2.130  4.264 1.464 18 11 "[*- *.****1    * *+ *]" 1 
       205 1 11 ARG QG  1 12 VAL H   . . 7.000 3.994 3.352  4.787     .  0  0 "[    .    1    .    2]" 1 
       206 1 11 ARG QG  1 13 GLN HA  . . 5.500 5.360 4.837  5.628 0.128 15  0 "[    .    1    .    2]" 1 
       207 1 11 ARG QG  1 68 LYS QE  . . 4.500 4.541 3.573  6.213 1.713 18  3 "[    .    1  * .- + 2]" 1 
       208 1 12 VAL H   1 13 GLN H   . . 3.500 2.445 2.160  3.004     .  0  0 "[    .    1    .    2]" 1 
       209 1 12 VAL H   1 36 ASN QD  . . 7.000 6.784 6.244  7.072 0.072  3  0 "[    .    1    .    2]" 1 
       210 1 12 VAL HA  1 12 VAL HB  . . 2.800 2.486 2.452  2.548     .  0  0 "[    .    1    .    2]" 1 
       211 1 12 VAL HA  1 12 VAL QG  . . 2.800 2.261 2.182  2.328     .  0  0 "[    .    1    .    2]" 1 
       212 1 12 VAL HA  1 13 GLN H   . . 5.500 3.224 2.944  3.411     .  0  0 "[    .    1    .    2]" 1 
       213 1 12 VAL HB  1 13 GLN H   . . 7.000 4.432 4.163  4.543     .  0  0 "[    .    1    .    2]" 1 
       214 1 12 VAL HB  1 42 VAL QG  . . 2.800 2.612 2.285  2.950 0.150 20  0 "[    .    1    .    2]" 1 
       215 1 12 VAL HB  1 71 ASP H   . . 7.000 7.799 7.463  8.307 1.307  7 17 "[ ***.-+************2]" 1 
       216 1 12 VAL QG  1 13 GLN H   . . 7.000 3.276 2.831  3.603     .  0  0 "[    .    1    .    2]" 1 
       217 1 12 VAL QG  1 41 ARG HA  . . 3.500 3.415 2.793  3.569 0.069 15  0 "[    .    1    .    2]" 1 
       218 1 12 VAL QG  1 42 VAL H   . . 3.500 2.878 2.411  3.434     .  0  0 "[    .    1    .    2]" 1 
       219 1 12 VAL QG  1 42 VAL HB  . . 3.500 2.591 2.379  2.935     .  0  0 "[    .    1    .    2]" 1 
       220 1 12 VAL QG  1 42 VAL QG  . . 2.800 2.186 1.920  2.322     .  0  0 "[    .    1    .    2]" 1 
       221 1 12 VAL QG  1 69 VAL HA  . . 4.500 2.647 2.282  2.960     .  0  0 "[    .    1    .    2]" 1 
       222 1 12 VAL QG  1 70 THR H   . . 5.500 3.869 3.532  4.228     .  0  0 "[    .    1    .    2]" 1 
       223 1 13 GLN QB  1 18 ARG H   . . 5.500 5.362 4.991  5.588 0.088  7  0 "[    .    1    .    2]" 1 
       224 1 13 GLN QB  1 34 VAL QG  . . 4.500 6.378 5.401  6.751 2.251 12 20  [***********+*******-]  1 
       225 1 13 GLN QE  1 34 VAL HA  . . 5.500 7.028 6.139  7.158 1.658 18 20  [**************-**+**]  1 
       226 1 13 GLN QE  1 35 LYS H   . . 7.000 5.841 4.919  6.393     .  0  0 "[    .    1    .    2]" 1 
       227 1 18 ARG HA  1 18 ARG QB  . . 2.800 2.157 2.094  2.492     .  0  0 "[    .    1    .    2]" 1 
       228 1 18 ARG HA  1 21 VAL QG  . . 3.500 2.536 1.987  3.504 0.004 18  0 "[    .    1    .    2]" 1 
       229 1 18 ARG HA  1 34 VAL QG  . . 4.500 3.080 2.251  3.903     .  0  0 "[    .    1    .    2]" 1 
       230 1 18 ARG QB  1 20 PHE H   . . 4.500 5.101 4.737  5.396 0.896  9 13 "[*** * **+1 ** -** *2]" 1 
       231 1 18 ARG QB  1 34 VAL QG  . . 2.800 2.164 1.853  3.456 0.656 10  1 "[    .    +    .    2]" 1 
       232 1 18 ARG QB  1 42 VAL H   . . 7.000 7.323 6.328  9.365 2.365  6  4 "[    .+   *    - *  2]" 1 
       233 1 18 ARG QB  1 42 VAL QG  . . 3.500 2.957 2.325  4.582 1.082  6  1 "[    .+   1    .    2]" 1 
       234 1 18 ARG QD  1 34 VAL HA  . . 5.500 5.221 4.296  5.644 0.144  9  0 "[    .    1    .    2]" 1 
       235 1 18 ARG QD  1 88 ILE MG  . . 3.500 2.389 2.039  3.025     .  0  0 "[    .    1    .    2]" 1 
       236 1 19 TYR HA  1 88 ILE MD  . . 3.500 2.509 2.169  2.895     .  0  0 "[    .    1    .    2]" 1 
       237 1 19 TYR QD  1 20 PHE HA  . . 2.800 3.483 3.175  3.586 0.786  8 18 "[***-***+***** *** **]" 1 
       238 1 19 TYR QD  1 88 ILE MD  . . 3.500 2.681 2.231  3.569 0.069 14  0 "[    .    1    .    2]" 1 
       239 1 20 PHE H   1 20 PHE QB  . . 3.500 2.205 2.125  2.321     .  0  0 "[    .    1    .    2]" 1 
       240 1 20 PHE H   1 21 VAL H   . . 5.500 3.064 2.802  3.255     .  0  0 "[    .    1    .    2]" 1 
       241 1 20 PHE HA  1 20 PHE QB  . . 2.800 2.190 2.121  2.277     .  0  0 "[    .    1    .    2]" 1 
       242 1 20 PHE HA  1 22 GLN H   . . 4.500 4.329 4.152  4.538 0.038  5  0 "[    .    1    .    2]" 1 
       243 1 20 PHE HA  1 22 GLN QB  . . 5.500 5.394 5.160  5.534 0.034 10  0 "[    .    1    .    2]" 1 
       244 1 20 PHE HA  1 23 MET H   . . 3.500 3.235 3.114  3.364     .  0  0 "[    .    1    .    2]" 1 
       245 1 20 PHE HA  1 23 MET QG  . . 2.800 2.523 2.097  2.868 0.068 18  0 "[    .    1    .    2]" 1 
       246 1 20 PHE HA  1 88 ILE MD  . . 7.000 6.502 6.234  6.928     .  0  0 "[    .    1    .    2]" 1 
       247 1 20 PHE QB  1 21 VAL H   . . 4.500 3.136 2.736  3.584     .  0  0 "[    .    1    .    2]" 1 
       248 1 20 PHE QB  1 22 GLN H   . . 5.500 5.030 4.798  5.271     .  0  0 "[    .    1    .    2]" 1 
       249 1 20 PHE QB  1 23 MET QB  . . 4.500 4.304 3.786  4.539 0.039 15  0 "[    .    1    .    2]" 1 
       250 1 20 PHE QD  1 21 VAL HA  . . 4.500 3.618 3.241  4.056     .  0  0 "[    .    1    .    2]" 1 
       251 1 20 PHE QD  1 21 VAL QG  . . 4.500 2.614 2.176  3.137     .  0  0 "[    .    1    .    2]" 1 
       252 1 20 PHE QD  1 24 GLU H   . . 5.500 4.561 3.886  5.248     .  0  0 "[    .    1    .    2]" 1 
       253 1 20 PHE QD  1 25 ALA H   . . 7.000 6.582 6.095  7.005 0.005  8  0 "[    .    1    .    2]" 1 
       254 1 20 PHE QE  1 21 VAL QG  . . 2.800 2.659 2.471  2.834 0.034  5  0 "[    .    1    .    2]" 1 
       255 1 20 PHE QE  1 60 VAL HA  . . 2.800 2.843 2.803  2.900 0.100 18  0 "[    .    1    .    2]" 1 
       256 1 20 PHE QE  1 62 ASN H   . . 7.000 6.599 6.128  7.017 0.017 15  0 "[    .    1    .    2]" 1 
       257 1 21 VAL H   1 21 VAL QG  . . 3.500 2.009 1.860  2.494     .  0  0 "[    .    1    .    2]" 1 
       258 1 21 VAL HA  1 21 VAL QG  . . 2.800 2.210 2.116  2.335     .  0  0 "[    .    1    .    2]" 1 
       259 1 21 VAL HA  1 24 GLU H   . . 5.500 3.294 3.062  3.719     .  0  0 "[    .    1    .    2]" 1 
       260 1 21 VAL HA  1 25 ALA H   . . 4.500 4.031 3.768  4.339     .  0  0 "[    .    1    .    2]" 1 
       261 1 21 VAL HA  1 60 VAL QG  . . 4.500 3.690 3.486  4.130     .  0  0 "[    .    1    .    2]" 1 
       262 1 21 VAL HB  1 22 GLN H   . . 4.500 3.628 2.606  4.072     .  0  0 "[    .    1    .    2]" 1 
       263 1 21 VAL QG  1 22 GLN H   . . 3.500 2.643 2.393  3.319     .  0  0 "[    .    1    .    2]" 1 
       264 1 21 VAL QG  1 23 MET H   . . 4.500 4.396 4.288  4.577 0.077 15  0 "[    .    1    .    2]" 1 
       265 1 21 VAL QG  1 25 ALA MB  . . 4.500 3.972 3.265  4.354     .  0  0 "[    .    1    .    2]" 1 
       266 1 21 VAL QG  1 34 VAL HB  . . 2.800 2.675 2.417  2.820 0.020  1  0 "[    .    1    .    2]" 1 
       267 1 21 VAL QG  1 34 VAL QG  . . 2.800 2.022 1.893  2.126     .  0  0 "[    .    1    .    2]" 1 
       268 1 21 VAL QG  1 44 ILE HB  . . 4.500 4.365 3.969  4.546 0.046  9  0 "[    .    1    .    2]" 1 
       269 1 21 VAL QG  1 44 ILE MD  . . 2.800 2.065 1.950  2.142     .  0  0 "[    .    1    .    2]" 1 
       270 1 21 VAL QG  1 45 LEU H   . . 5.500 5.500 4.925  5.794 0.294  7  0 "[    .    1    .    2]" 1 
       271 1 21 VAL QG  1 56 PHE QD  . . 5.500 4.609 4.069  4.948     .  0  0 "[    .    1    .    2]" 1 
       272 1 21 VAL QG  1 60 VAL QG  . . 2.800 2.234 1.972  2.828 0.028 15  0 "[    .    1    .    2]" 1 
       273 1 21 VAL QG  1 67 SER H   . . 5.500 6.818 5.390  8.182 2.682 17 19 "[******-*********+ **]" 1 
       274 1 21 VAL QG  1 88 ILE QG  . . 4.500 4.742 4.262  5.036 0.536 18  3 "[    .    1- * .  + 2]" 1 
       275 1 22 GLN H   1 22 GLN QB  . . 2.800 2.465 2.201  2.537     .  0  0 "[    .    1    .    2]" 1 
       276 1 22 GLN H   1 24 GLU QB  . . 5.500 5.160 4.969  5.398     .  0  0 "[    .    1    .    2]" 1 
       277 1 22 GLN H   1 88 ILE MD  . . 5.500 4.432 4.029  4.807     .  0  0 "[    .    1    .    2]" 1 
       278 1 22 GLN HA  1 22 GLN QB  . . 2.800 2.349 2.303  2.486     .  0  0 "[    .    1    .    2]" 1 
       279 1 22 GLN HA  1 22 GLN QE  . . 4.500 3.899 3.203  4.155     .  0  0 "[    .    1    .    2]" 1 
       280 1 22 GLN HA  1 23 MET H   . . 4.500 3.510 3.454  3.553     .  0  0 "[    .    1    .    2]" 1 
       281 1 22 GLN HA  1 25 ALA H   . . 3.500 2.916 2.616  3.284     .  0  0 "[    .    1    .    2]" 1 
       282 1 22 GLN HA  1 25 ALA MB  . . 2.800 2.099 2.009  2.236     .  0  0 "[    .    1    .    2]" 1 
       283 1 22 GLN HA  1 26 ASP H   . . 5.500 3.698 3.570  3.886     .  0  0 "[    .    1    .    2]" 1 
       284 1 22 GLN HA  1 86 PHE QD  . . 4.500 4.183 3.086  4.531 0.031 17  0 "[    .    1    .    2]" 1 
       285 1 22 GLN HA  1 87 SER H   . . 7.000 6.000 5.511  6.344     .  0  0 "[    .    1    .    2]" 1 
       286 1 22 GLN QB  1 23 MET H   . . 3.500 3.087 2.951  3.256     .  0  0 "[    .    1    .    2]" 1 
       287 1 22 GLN QB  1 87 SER H   . . 5.500 4.846 4.632  5.221     .  0  0 "[    .    1    .    2]" 1 
       288 1 22 GLN QB  1 88 ILE MD  . . 3.500 2.927 2.694  3.156     .  0  0 "[    .    1    .    2]" 1 
       289 1 22 GLN QE  1 33 TRP H   . . 4.500 3.744 3.406  4.131     .  0  0 "[    .    1    .    2]" 1 
       290 1 22 GLN QE  1 34 VAL HB  . . 4.500 2.787 1.938  3.143     .  0  0 "[    .    1    .    2]" 1 
       291 1 22 GLN QE  1 34 VAL QG  . . 3.500 2.181 1.855  2.335     .  0  0 "[    .    1    .    2]" 1 
       292 1 22 GLN QE  1 45 LEU H   . . 4.500 4.535 4.435  4.600 0.100  5  0 "[    .    1    .    2]" 1 
       293 1 22 GLN QE  1 87 SER H   . . 5.500 2.655 2.298  3.819     .  0  0 "[    .    1    .    2]" 1 
       294 1 22 GLN QE  1 88 ILE H   . . 5.500 4.797 4.522  5.765 0.265 16  0 "[    .    1    .    2]" 1 
       295 1 22 GLN QE  1 88 ILE MD  . . 4.500 4.307 4.123  4.518 0.018  4  0 "[    .    1    .    2]" 1 
       296 1 23 MET H   1 23 MET QB  . . 3.500 2.534 2.166  2.733     .  0  0 "[    .    1    .    2]" 1 
       297 1 23 MET H   1 23 MET QG  . . 3.500 2.567 2.274  3.373     .  0  0 "[    .    1    .    2]" 1 
       298 1 23 MET H   1 24 GLU QG  . . 5.500 4.339 4.151  4.686     .  0  0 "[    .    1    .    2]" 1 
       299 1 23 MET H   1 25 ALA MB  . . 4.500 4.537 4.512  4.561 0.061 16  0 "[    .    1    .    2]" 1 
       300 1 23 MET HA  1 23 MET QB  . . 2.800 2.295 2.094  2.375     .  0  0 "[    .    1    .    2]" 1 
       301 1 23 MET HA  1 23 MET QG  . . 3.500 2.627 2.427  3.335     .  0  0 "[    .    1    .    2]" 1 
       302 1 23 MET HA  1 24 GLU H   . . 4.500 3.620 3.601  3.644     .  0  0 "[    .    1    .    2]" 1 
       303 1 23 MET HA  1 26 ASP QB  . . 2.800 2.741 2.487  2.832 0.032  8  0 "[    .    1    .    2]" 1 
       304 1 23 MET ME  1 24 GLU H   . . 4.500 4.085 3.908  4.349     .  0  0 "[    .    1    .    2]" 1 
       305 1 23 MET QG  1 24 GLU H   . . 4.500 3.678 2.442  4.084     .  0  0 "[    .    1    .    2]" 1 
       306 1 24 GLU H   1 24 GLU HA  . . 2.800 2.852 2.833  2.872 0.072 15  0 "[    .    1    .    2]" 1 
       307 1 24 GLU H   1 24 GLU QB  . . 3.500 2.394 2.259  2.484     .  0  0 "[    .    1    .    2]" 1 
       308 1 24 GLU H   1 24 GLU QG  . . 2.800 2.264 2.161  2.394     .  0  0 "[    .    1    .    2]" 1 
       309 1 24 GLU H   1 25 ALA H   . . 2.800 2.685 2.614  2.751     .  0  0 "[    .    1    .    2]" 1 
       310 1 24 GLU H   1 30 LEU QD  . . 7.000 6.484 6.207  6.670     .  0  0 "[    .    1    .    2]" 1 
       311 1 24 GLU H   1 60 VAL QG  . . 5.500 5.792 5.491  6.214 0.714 16  4 "[    -   *1    .+  *2]" 1 
       312 1 24 GLU HA  1 24 GLU QB  . . 2.800 2.404 2.358  2.477     .  0  0 "[    .    1    .    2]" 1 
       313 1 24 GLU HA  1 25 ALA H   . . 5.500 3.552 3.524  3.591     .  0  0 "[    .    1    .    2]" 1 
       314 1 24 GLU HA  1 27 LYS H   . . 4.500 3.339 3.158  3.583     .  0  0 "[    .    1    .    2]" 1 
       315 1 24 GLU HA  1 27 LYS QE  . . 4.500 2.617 2.068  4.094     .  0  0 "[    .    1    .    2]" 1 
       316 1 24 GLU QB  1 25 ALA H   . . 4.500 2.809 2.606  3.010     .  0  0 "[    .    1    .    2]" 1 
       317 1 24 GLU QB  1 27 LYS HA  . . 7.000 6.718 6.472  6.891     .  0  0 "[    .    1    .    2]" 1 
       318 1 24 GLU QB  1 27 LYS QE  . . 3.500 3.122 2.739  3.510 0.010 15  0 "[    .    1    .    2]" 1 
       319 1 24 GLU QB  1 59 ALA H   . . 5.500 5.425 5.154  5.581 0.081  8  0 "[    .    1    .    2]" 1 
       320 1 24 GLU QB  1 59 ALA MB  . . 3.500 2.829 2.491  3.170     .  0  0 "[    .    1    .    2]" 1 
       321 1 24 GLU QG  1 25 ALA H   . . 4.500 4.251 4.192  4.372     .  0  0 "[    .    1    .    2]" 1 
       322 1 24 GLU QG  1 59 ALA MB  . . 3.500 2.787 2.427  3.298     .  0  0 "[    .    1    .    2]" 1 
       323 1 24 GLU QG  1 60 VAL H   . . 5.500 5.152 4.679  5.481     .  0  0 "[    .    1    .    2]" 1 
       324 1 24 GLU QG  1 60 VAL QG  . . 3.500 4.119 3.645  4.519 1.019  5 15 "[****+** ***  -.****2]" 1 
       325 1 25 ALA H   1 26 ASP H   . . 3.500 2.769 2.650  2.872     .  0  0 "[    .    1    .    2]" 1 
       326 1 25 ALA H   1 46 ALA MB  . . 7.000 6.443 6.201  6.680     .  0  0 "[    .    1    .    2]" 1 
       327 1 25 ALA H   1 56 PHE QD  . . 4.500 3.488 3.283  3.687     .  0  0 "[    .    1    .    2]" 1 
       328 1 25 ALA HA  1 26 ASP H   . . 4.500 3.610 3.585  3.628     .  0  0 "[    .    1    .    2]" 1 
       329 1 25 ALA HA  1 28 ARG H   . . 4.500 3.616 3.437  3.928     .  0  0 "[    .    1    .    2]" 1 
       330 1 25 ALA HA  1 30 LEU H   . . 5.500 3.565 3.403  3.706     .  0  0 "[    .    1    .    2]" 1 
       331 1 25 ALA HA  1 30 LEU QB  . . 3.500 2.509 2.178  2.772     .  0  0 "[    .    1    .    2]" 1 
       332 1 25 ALA HA  1 30 LEU QD  . . 3.500 2.325 2.193  2.488     .  0  0 "[    .    1    .    2]" 1 
       333 1 25 ALA MB  1 26 ASP H   . . 2.800 2.327 2.214  2.416     .  0  0 "[    .    1    .    2]" 1 
       334 1 25 ALA MB  1 27 LYS H   . . 4.500 4.491 4.391  4.537 0.037 15  0 "[    .    1    .    2]" 1 
       335 1 25 ALA MB  1 30 LEU H   . . 3.500 3.645 3.498  3.759 0.259 20  0 "[    .    1    .    2]" 1 
       336 1 25 ALA MB  1 56 PHE QD  . . 3.500 3.483 3.211  3.545 0.045  9  0 "[    .    1    .    2]" 1 
       337 1 25 ALA MB  1 86 PHE QB  . . 3.500 2.877 2.477  4.532 1.032 18  1 "[    .    1    .  + 2]" 1 
       338 1 25 ALA MB  1 86 PHE QD  . . 3.500 3.509 3.046  3.564 0.064  8  0 "[    .    1    .    2]" 1 
       339 1 26 ASP H   1 26 ASP QB  . . 2.800 2.240 2.212  2.267     .  0  0 "[    .    1    .    2]" 1 
       340 1 26 ASP H   1 27 LYS H   . . 3.500 2.773 2.710  2.848     .  0  0 "[    .    1    .    2]" 1 
       341 1 26 ASP H   1 28 ARG H   . . 5.500 4.128 3.994  4.548     .  0  0 "[    .    1    .    2]" 1 
       342 1 26 ASP H   1 56 PHE QD  . . 5.500 5.514 5.387  5.613 0.113 19  0 "[    .    1    .    2]" 1 
       343 1 26 ASP HA  1 26 ASP QB  . . 2.800 2.336 2.314  2.349     .  0  0 "[    .    1    .    2]" 1 
       344 1 26 ASP HA  1 27 LYS H   . . 4.500 3.581 3.543  3.618     .  0  0 "[    .    1    .    2]" 1 
       345 1 26 ASP HA  1 28 ARG H   . . 4.500 3.930 3.723  4.289     .  0  0 "[    .    1    .    2]" 1 
       346 1 26 ASP HA  1 29 LYS H   . . 3.500 3.266 3.076  3.500 0.000 20  0 "[    .    1    .    2]" 1 
       347 1 26 ASP HA  1 30 LEU H   . . 5.500 3.629 3.380  3.849     .  0  0 "[    .    1    .    2]" 1 
       348 1 26 ASP QB  1 27 LYS H   . . 3.500 2.584 2.392  2.768     .  0  0 "[    .    1    .    2]" 1 
       349 1 27 LYS H   1 27 LYS HA  . . 2.800 2.811 2.746  2.828 0.028 11  0 "[    .    1    .    2]" 1 
       350 1 27 LYS H   1 28 ARG H   . . 3.500 2.834 2.762  2.923     .  0  0 "[    .    1    .    2]" 1 
       351 1 27 LYS HA  1 28 ARG H   . . 3.500 3.494 3.410  3.542 0.042  1  0 "[    .    1    .    2]" 1 
       352 1 27 LYS QE  1 30 LEU QB  . . 7.000 7.039 6.947  7.078 0.078 20  0 "[    .    1    .    2]" 1 
       353 1 27 LYS QE  1 59 ALA H   . . 7.000 5.819 5.048  6.716     .  0  0 "[    .    1    .    2]" 1 
       354 1 27 LYS QE  1 59 ALA MB  . . 2.800 3.473 2.581  4.078 1.278  5 12 "[*  *+****-    .** **]" 1 
       355 1 28 ARG H   1 28 ARG QB  . . 3.500 2.467 2.346  2.645     .  0  0 "[    .    1    .    2]" 1 
       356 1 28 ARG H   1 28 ARG QD  . . 5.500 4.375 3.633  4.733     .  0  0 "[    .    1    .    2]" 1 
       357 1 28 ARG H   1 29 LYS H   . . 2.800 2.403 2.240  2.644     .  0  0 "[    .    1    .    2]" 1 
       358 1 28 ARG H   1 29 LYS HA  . . 4.500 4.326 4.115  4.610 0.110 18  0 "[    .    1    .    2]" 1 
       359 1 28 ARG H   1 30 LEU H   . . 4.500 3.438 3.268  3.730     .  0  0 "[    .    1    .    2]" 1 
       360 1 28 ARG H   1 30 LEU QD  . . 4.500 4.395 3.971  4.531 0.031  1  0 "[    .    1    .    2]" 1 
       361 1 28 ARG H   1 30 LEU HG  . . 4.500 4.104 3.784  4.352     .  0  0 "[    .    1    .    2]" 1 
       362 1 28 ARG HA  1 29 LYS H   . . 3.500 3.122 2.988  3.249     .  0  0 "[    .    1    .    2]" 1 
       363 1 28 ARG QB  1 28 ARG QD  . . 3.500 2.427 2.107  3.015     .  0  0 "[    .    1    .    2]" 1 
       364 1 28 ARG QB  1 29 LYS H   . . 4.500 3.701 3.528  3.820     .  0  0 "[    .    1    .    2]" 1 
       365 1 28 ARG QB  1 30 LEU H   . . 4.500 3.382 3.065  3.911     .  0  0 "[    .    1    .    2]" 1 
       366 1 28 ARG QB  1 30 LEU QD  . . 3.500 2.746 2.516  3.261     .  0  0 "[    .    1    .    2]" 1 
       367 1 28 ARG QB  1 30 LEU HG  . . 3.500 2.296 2.123  3.065     .  0  0 "[    .    1    .    2]" 1 
       368 1 28 ARG QB  1 52 ALA MB  . . 2.800 2.223 2.080  2.789     .  0  0 "[    .    1    .    2]" 1 
       369 1 28 ARG QD  1 56 PHE H   . . 5.500 3.738 2.659  4.231     .  0  0 "[    .    1    .    2]" 1 
       370 1 28 ARG QD  1 56 PHE HA  . . 5.500 4.290 2.688  4.893     .  0  0 "[    .    1    .    2]" 1 
       371 1 28 ARG QD  1 56 PHE QD  . . 7.000 5.007 2.585  5.983     .  0  0 "[    .    1    .    2]" 1 
       372 1 28 ARG QD  1 58 GLU H   . . 7.000 6.815 6.005  7.040 0.040 18  0 "[    .    1    .    2]" 1 
       373 1 28 ARG QG  1 52 ALA HA  . . 3.500 3.344 2.164  3.573 0.073  8  0 "[    .    1    .    2]" 1 
       374 1 29 LYS H   1 29 LYS HA  . . 2.800 2.226 2.179  2.257     .  0  0 "[    .    1    .    2]" 1 
       375 1 29 LYS H   1 30 LEU H   . . 3.500 2.901 2.770  2.995     .  0  0 "[    .    1    .    2]" 1 
       376 1 29 LYS HA  1 30 LEU H   . . 2.800 2.773 2.648  2.835 0.035  5  0 "[    .    1    .    2]" 1 
       377 1 30 LEU H   1 30 LEU QB  . . 3.500 2.366 2.290  2.459     .  0  0 "[    .    1    .    2]" 1 
       378 1 30 LEU H   1 30 LEU HG  . . 3.500 2.578 2.485  2.674     .  0  0 "[    .    1    .    2]" 1 
       379 1 30 LEU HA  1 30 LEU QD  . . 2.800 2.144 2.094  2.187     .  0  0 "[    .    1    .    2]" 1 
       380 1 30 LEU HA  1 30 LEU HG  . . 3.500 3.219 3.113  3.344     .  0  0 "[    .    1    .    2]" 1 
       381 1 30 LEU HA  1 31 ALA H   . . 2.800 2.421 2.377  2.552     .  0  0 "[    .    1    .    2]" 1 
       382 1 30 LEU QB  1 31 ALA H   . . 3.500 2.505 2.430  2.651     .  0  0 "[    .    1    .    2]" 1 
       383 1 30 LEU QB  1 47 GLU H   . . 4.500 4.211 3.891  4.506 0.006 15  0 "[    .    1    .    2]" 1 
       384 1 30 LEU QD  1 31 ALA H   . . 3.500 3.367 3.199  3.505 0.005  5  0 "[    .    1    .    2]" 1 
       385 1 30 LEU QD  1 46 ALA MB  . . 3.500 2.608 2.392  3.064     .  0  0 "[    .    1    .    2]" 1 
       386 1 30 LEU QD  1 47 GLU H   . . 5.500 4.243 3.983  4.575     .  0  0 "[    .    1    .    2]" 1 
       387 1 30 LEU QD  1 48 GLY QA  . . 2.800 1.983 1.919  2.059     .  0  0 "[    .    1    .    2]" 1 
       388 1 30 LEU QD  1 52 ALA H   . . 4.500 4.239 4.115  4.370     .  0  0 "[    .    1    .    2]" 1 
       389 1 30 LEU QD  1 52 ALA MB  . . 2.800 2.080 2.018  2.154     .  0  0 "[    .    1    .    2]" 1 
       390 1 30 LEU QD  1 53 LEU HA  . . 2.800 2.293 2.159  2.421     .  0  0 "[    .    1    .    2]" 1 
       391 1 30 LEU QD  1 54 GLN H   . . 5.500 4.679 4.570  4.844     .  0  0 "[    .    1    .    2]" 1 
       392 1 30 LEU QD  1 56 PHE H   . . 5.500 3.662 3.440  3.861     .  0  0 "[    .    1    .    2]" 1 
       393 1 30 LEU QD  1 56 PHE QB  . . 3.500 2.117 2.031  2.248     .  0  0 "[    .    1    .    2]" 1 
       394 1 30 LEU QD  1 56 PHE QD  . . 3.500 2.643 2.307  3.071     .  0  0 "[    .    1    .    2]" 1 
       395 1 30 LEU HG  1 31 ALA H   . . 5.500 5.011 4.898  5.131     .  0  0 "[    .    1    .    2]" 1 
       396 1 31 ALA H   1 31 ALA MB  . . 2.800 2.605 2.511  2.684     .  0  0 "[    .    1    .    2]" 1 
       397 1 31 ALA H   1 46 ALA HA  . . 4.500 4.335 4.014  4.502 0.002 13  0 "[    .    1    .    2]" 1 
       398 1 31 ALA H   1 47 GLU H   . . 3.500 2.976 2.755  3.250     .  0  0 "[    .    1    .    2]" 1 
       399 1 31 ALA HA  1 32 GLY H   . . 2.800 2.273 2.208  2.339     .  0  0 "[    .    1    .    2]" 1 
       400 1 31 ALA HA  1 86 PHE HA  . . 3.500 3.355 2.956  3.974 0.474  5  0 "[    .    1    .    2]" 1 
       401 1 31 ALA HA  1 86 PHE QB  . . 4.500 3.423 2.134  4.546 0.046 18  0 "[    .    1    .    2]" 1 
       402 1 31 ALA HA  1 87 SER H   . . 5.500 5.420 5.143  5.551 0.051 20  0 "[    .    1    .    2]" 1 
       403 1 31 ALA MB  1 32 GLY H   . . 3.500 3.067 2.882  3.268     .  0  0 "[    .    1    .    2]" 1 
       404 1 31 ALA MB  1 83 HIS H   . . 5.500 4.095 3.559  4.623     .  0  0 "[    .    1    .    2]" 1 
       405 1 31 ALA MB  1 83 HIS HA  . . 7.000 4.181 3.868  4.526     .  0  0 "[    .    1    .    2]" 1 
       406 1 31 ALA MB  1 83 HIS QB  . . 4.500 2.389 2.132  3.517     .  0  0 "[    .    1    .    2]" 1 
       407 1 31 ALA MB  1 85 ARG H   . . 4.500 2.380 2.096  3.633     .  0  0 "[    .    1    .    2]" 1 
       408 1 31 ALA MB  1 85 ARG HA  . . 4.500 3.761 3.185  4.515 0.015  5  0 "[    .    1    .    2]" 1 
       409 1 32 GLY H   1 45 LEU QD  . . 5.500 5.844 5.610  6.084 0.584 13  2 "[    .    1  + .   -2]" 1 
       410 1 32 GLY H   1 85 ARG H   . . 5.500 4.085 3.813  5.505 0.005  5  0 "[    .    1    .    2]" 1 
       411 1 32 GLY H   1 86 PHE HA  . . 2.800 2.243 1.904  2.515     .  0  0 "[    .    1    .    2]" 1 
       412 1 32 GLY H   1 87 SER H   . . 4.500 3.686 3.512  3.805     .  0  0 "[    .    1    .    2]" 1 
       413 1 32 GLY H   1 87 SER QB  . . 5.500 4.997 4.691  5.501 0.001  5  0 "[    .    1    .    2]" 1 
       414 1 32 GLY QA  1 33 TRP H   . . 2.800 2.294 2.258  2.331     .  0  0 "[    .    1    .    2]" 1 
       415 1 32 GLY QA  1 45 LEU H   . . 5.500 4.195 3.973  4.445     .  0  0 "[    .    1    .    2]" 1 
       416 1 32 GLY QA  1 46 ALA HA  . . 3.500 2.062 1.973  2.103     .  0  0 "[    .    1    .    2]" 1 
       417 1 32 GLY QA  1 47 GLU H   . . 5.500 3.455 3.355  3.591     .  0  0 "[    .    1    .    2]" 1 
       418 1 33 TRP H   1 33 TRP HE3 . . 5.500 4.034 3.332  4.813     .  0  0 "[    .    1    .    2]" 1 
       419 1 33 TRP H   1 44 ILE MG  . . 5.500 4.203 3.954  4.766     .  0  0 "[    .    1    .    2]" 1 
       420 1 33 TRP H   1 45 LEU H   . . 3.500 2.938 2.766  3.195     .  0  0 "[    .    1    .    2]" 1 
       421 1 33 TRP H   1 45 LEU QB  . . 4.500 3.285 2.681  3.665     .  0  0 "[    .    1    .    2]" 1 
       422 1 33 TRP H   1 45 LEU QD  . . 3.500 3.503 3.382  3.563 0.063  3  0 "[    .    1    .    2]" 1 
       423 1 33 TRP H   1 46 ALA H   . . 5.500 5.002 4.854  5.173     .  0  0 "[    .    1    .    2]" 1 
       424 1 33 TRP H   1 46 ALA HA  . . 4.500 3.744 3.681  3.901     .  0  0 "[    .    1    .    2]" 1 
       425 1 33 TRP H   1 46 ALA MB  . . 4.500 3.747 3.575  4.023     .  0  0 "[    .    1    .    2]" 1 
       426 1 33 TRP HA  1 34 VAL H   . . 3.500 2.336 2.291  2.371     .  0  0 "[    .    1    .    2]" 1 
       427 1 33 TRP HA  1 34 VAL QG  . . 4.500 3.773 3.635  3.922     .  0  0 "[    .    1    .    2]" 1 
       428 1 33 TRP HA  1 87 SER H   . . 3.500 2.372 2.224  2.555     .  0  0 "[    .    1    .    2]" 1 
       429 1 33 TRP HA  1 87 SER QB  . . 3.500 2.744 2.273  3.055     .  0  0 "[    .    1    .    2]" 1 
       430 1 33 TRP QB  1 33 TRP HE3 . . 3.500 2.560 2.425  3.148     .  0  0 "[    .    1    .    2]" 1 
       431 1 33 TRP QB  1 34 VAL H   . . 2.800 2.481 2.246  2.587     .  0  0 "[    .    1    .    2]" 1 
       432 1 33 TRP QB  1 87 SER QB  . . 5.500 2.354 2.136  2.804     .  0  0 "[    .    1    .    2]" 1 
       433 1 33 TRP QB  1 89 VAL QG  . . 2.800 2.463 2.005  2.803 0.003  6  0 "[    .    1    .    2]" 1 
       434 1 33 TRP HD1 1 45 LEU QD  . . 4.500 4.404 3.802  4.545 0.045  7  0 "[    .    1    .    2]" 1 
       435 1 33 TRP HE1 1 34 VAL H   . . 5.500 6.297 5.958  7.127 1.627 11 18 "[-** **** *+*********]" 1 
       436 1 33 TRP HE1 1 35 LYS QD  . . 5.500 3.945 2.788  5.535 0.035 11  0 "[    .    1    .    2]" 1 
       437 1 33 TRP HE1 1 45 LEU QB  . . 5.500 3.055 2.642  4.045     .  0  0 "[    .    1    .    2]" 1 
       438 1 33 TRP HE1 1 45 LEU QD  . . 3.500 3.256 2.843  3.510 0.010 10  0 "[    .    1    .    2]" 1 
       439 1 33 TRP HZ2 1 45 LEU H   . . 7.000 6.561 5.863  6.986     .  0  0 "[    .    1    .    2]" 1 
       440 1 33 TRP HZ2 1 89 VAL QG  . . 5.500 5.508 4.752  6.094 0.594 20  1 "[    .    1    .    +]" 1 
       441 1 34 VAL H   1 34 VAL QG  . . 2.800 2.283 2.183  2.379     .  0  0 "[    .    1    .    2]" 1 
       442 1 34 VAL H   1 87 SER QB  . . 5.500 4.001 3.780  4.200     .  0  0 "[    .    1    .    2]" 1 
       443 1 34 VAL H   1 88 ILE HA  . . 4.500 2.647 2.547  2.812     .  0  0 "[    .    1    .    2]" 1 
       444 1 34 VAL H   1 88 ILE MG  . . 5.500 4.224 4.061  4.430     .  0  0 "[    .    1    .    2]" 1 
       445 1 34 VAL H   1 89 VAL H   . . 4.500 3.455 3.224  3.815     .  0  0 "[    .    1    .    2]" 1 
       446 1 34 VAL H   1 89 VAL QG  . . 3.500 3.397 3.015  3.544 0.044  6  0 "[    .    1    .    2]" 1 
       447 1 34 VAL HA  1 34 VAL QG  . . 2.800 2.278 2.217  2.346     .  0  0 "[    .    1    .    2]" 1 
       448 1 34 VAL HA  1 35 LYS H   . . 2.800 2.237 2.188  2.269     .  0  0 "[    .    1    .    2]" 1 
       449 1 34 VAL HA  1 44 ILE HA  . . 3.500 2.344 2.289  2.415     .  0  0 "[    .    1    .    2]" 1 
       450 1 34 VAL HA  1 44 ILE HB  . . 7.000 5.135 5.055  5.283     .  0  0 "[    .    1    .    2]" 1 
       451 1 34 VAL HA  1 45 LEU H   . . 4.500 3.772 3.654  3.858     .  0  0 "[    .    1    .    2]" 1 
       452 1 34 VAL HB  1 44 ILE MG  . . 2.800 2.437 2.234  2.708     .  0  0 "[    .    1    .    2]" 1 
       453 1 34 VAL QG  1 35 LYS H   . . 2.800 2.325 2.224  2.476     .  0  0 "[    .    1    .    2]" 1 
       454 1 34 VAL QG  1 44 ILE HA  . . 3.500 3.098 2.877  3.279     .  0  0 "[    .    1    .    2]" 1 
       455 1 34 VAL QG  1 44 ILE HB  . . 4.500 4.477 4.247  4.638 0.138 18  0 "[    .    1    .    2]" 1 
       456 1 34 VAL QG  1 44 ILE MD  . . 3.500 3.342 3.150  3.514 0.014 18  0 "[    .    1    .    2]" 1 
       457 1 34 VAL QG  1 88 ILE H   . . 5.500 4.492 4.340  4.651     .  0  0 "[    .    1    .    2]" 1 
       458 1 34 VAL QG  1 88 ILE HA  . . 2.800 2.369 2.188  2.566     .  0  0 "[    .    1    .    2]" 1 
       459 1 34 VAL QG  1 88 ILE MD  . . 3.500 3.111 2.931  3.261     .  0  0 "[    .    1    .    2]" 1 
       460 1 34 VAL QG  1 88 ILE MG  . . 3.500 2.151 2.083  2.303     .  0  0 "[    .    1    .    2]" 1 
       461 1 34 VAL QG  1 89 VAL H   . . 3.500 3.387 3.075  3.626 0.126 11  0 "[    .    1    .    2]" 1 
       462 1 35 LYS H   1 35 LYS HA  . . 2.800 2.967 2.921  2.993 0.193 14  0 "[    .    1    .    2]" 1 
       463 1 35 LYS H   1 35 LYS QB  . . 3.500 2.677 2.406  3.252     .  0  0 "[    .    1    .    2]" 1 
       464 1 35 LYS H   1 35 LYS QG  . . 4.500 3.626 2.458  4.193     .  0  0 "[    .    1    .    2]" 1 
       465 1 35 LYS H   1 42 VAL QG  . . 3.500 3.080 2.876  3.353     .  0  0 "[    .    1    .    2]" 1 
       466 1 35 LYS H   1 43 GLU H   . . 3.500 2.836 2.737  2.925     .  0  0 "[    .    1    .    2]" 1 
       467 1 35 LYS H   1 89 VAL QG  . . 5.500 4.461 4.156  5.148     .  0  0 "[    .    1    .    2]" 1 
       468 1 35 LYS HA  1 36 ASN H   . . 2.800 2.385 2.217  2.572     .  0  0 "[    .    1    .    2]" 1 
       469 1 35 LYS HA  1 89 VAL H   . . 4.500 3.242 2.722  3.600     .  0  0 "[    .    1    .    2]" 1 
       470 1 35 LYS HA  1 89 VAL QG  . . 4.500 3.234 2.151  3.966     .  0  0 "[    .    1    .    2]" 1 
       471 1 35 LYS QB  1 35 LYS QD  . . 3.500 2.333 2.069  2.431     .  0  0 "[    .    1    .    2]" 1 
       472 1 35 LYS QB  1 36 ASN H   . . 3.500 3.210 2.410  3.604 0.104 15  0 "[    .    1    .    2]" 1 
       473 1 35 LYS QB  1 42 VAL QG  . . 4.500 4.437 4.237  4.880 0.380 10  0 "[    .    1    .    2]" 1 
       474 1 35 LYS QB  1 89 VAL HB  . . 2.800 3.123 2.088  5.093 2.293  6  5 "[  * .+   1    .*-  *]" 1 
       475 1 35 LYS QB  1 89 VAL QG  . . 3.500 2.482 2.102  3.511 0.011 18  0 "[    .    1    .    2]" 1 
       476 1 35 LYS QD  1 89 VAL QG  . . 2.800 2.608 2.264  2.844 0.044 20  0 "[    .    1    .    2]" 1 
       477 1 35 LYS QE  1 43 GLU QB  . . 2.800 2.560 2.025  3.763 0.963 10  3 "[    .   -+    .*   2]" 1 
       478 1 35 LYS QG  1 42 VAL QG  . . 4.500 4.798 4.094  5.290 0.790 17  4 "[    . *  1    * +- 2]" 1 
       479 1 35 LYS QG  1 43 GLU H   . . 4.500 4.310 3.051  4.945 0.445  7  0 "[    .    1    .    2]" 1 
       480 1 35 LYS QG  1 89 VAL QG  . . 4.500 2.592 2.086  3.638     .  0  0 "[    .    1    .    2]" 1 
       481 1 36 ASN H   1 42 VAL QG  . . 4.500 4.287 4.043  4.511 0.011  2  0 "[    .    1    .    2]" 1 
       482 1 36 ASN HA  1 37 ARG H   . . 2.800 2.238 2.124  2.467     .  0  0 "[    .    1    .    2]" 1 
       483 1 36 ASN HA  1 42 VAL QG  . . 2.800 2.653 2.258  2.844 0.044  2  0 "[    .    1    .    2]" 1 
       484 1 36 ASN HA  1 43 GLU H   . . 5.500 3.504 3.252  4.001     .  0  0 "[    .    1    .    2]" 1 
       485 1 37 ARG H   1 37 ARG QB  . . 3.500 2.448 2.220  3.233     .  0  0 "[    .    1    .    2]" 1 
       486 1 37 ARG H   1 37 ARG QG  . . 4.500 2.865 2.214  4.076     .  0  0 "[    .    1    .    2]" 1 
       487 1 37 ARG H   1 41 ARG H   . . 5.500 4.093 2.857  4.765     .  0  0 "[    .    1    .    2]" 1 
       488 1 37 ARG H   1 42 VAL HA  . . 4.500 3.003 2.414  3.251     .  0  0 "[    .    1    .    2]" 1 
       489 1 37 ARG H   1 42 VAL HB  . . 7.000 5.795 5.278  6.033     .  0  0 "[    .    1    .    2]" 1 
       490 1 37 ARG H   1 43 GLU H   . . 5.500 4.278 3.657  4.722     .  0  0 "[    .    1    .    2]" 1 
       491 1 37 ARG QB  1 39 ASP H   . . 4.500 2.884 2.216  4.428     .  0  0 "[    .    1    .    2]" 1 
       492 1 37 ARG QB  1 41 ARG H   . . 5.500 3.218 2.380  5.273     .  0  0 "[    .    1    .    2]" 1 
       493 1 37 ARG QD  1 40 GLY H   . . 5.500 5.214 4.788  5.623 0.123  9  0 "[    .    1    .    2]" 1 
       494 1 37 ARG QD  1 41 ARG H   . . 5.500 4.314 3.609  4.996     .  0  0 "[    .    1    .    2]" 1 
       495 1 37 ARG QD  1 43 GLU H   . . 5.500 4.652 4.109  5.339     .  0  0 "[    .    1    .    2]" 1 
       496 1 37 ARG QG  1 39 ASP QB  . . 4.500 4.603 2.356  7.641 3.141  9  8 "[*-  .   +*** *.*   2]" 1 
       497 1 39 ASP H   1 39 ASP QB  . . 3.500 2.269 2.003  2.500     .  0  0 "[    .    1    .    2]" 1 
       498 1 39 ASP H   1 41 ARG H   . . 5.500 4.267 3.260  4.861     .  0  0 "[    .    1    .    2]" 1 
       499 1 39 ASP HA  1 39 ASP QB  . . 2.800 2.271 2.120  2.381     .  0  0 "[    .    1    .    2]" 1 
       500 1 39 ASP HA  1 40 GLY H   . . 4.500 3.454 2.933  3.553     .  0  0 "[    .    1    .    2]" 1 
       501 1 40 GLY H   1 41 ARG H   . . 3.500 2.506 1.975  3.026     .  0  0 "[    .    1    .    2]" 1 
       502 1 40 GLY H   1 42 VAL HA  . . 7.000 6.372 5.890  6.779     .  0  0 "[    .    1    .    2]" 1 
       503 1 40 GLY QA  1 41 ARG H   . . 5.500 2.867 2.628  2.979     .  0  0 "[    .    1    .    2]" 1 
       504 1 41 ARG H   1 41 ARG QD  . . 4.500 3.143 1.884  4.537 0.037  4  0 "[    .    1    .    2]" 1 
       505 1 41 ARG H   1 42 VAL H   . . 5.500 4.603 4.338  4.691     .  0  0 "[    .    1    .    2]" 1 
       506 1 41 ARG HA  1 42 VAL H   . . 2.800 2.361 2.227  2.543     .  0  0 "[    .    1    .    2]" 1 
       507 1 41 ARG HA  1 42 VAL QG  . . 4.500 3.838 3.211  4.192     .  0  0 "[    .    1    .    2]" 1 
       508 1 41 ARG QD  1 42 VAL H   . . 5.500 4.507 3.315  5.301     .  0  0 "[    .    1    .    2]" 1 
       509 1 42 VAL H   1 42 VAL QG  . . 3.500 2.849 2.660  2.991     .  0  0 "[    .    1    .    2]" 1 
       510 1 42 VAL H   1 43 GLU H   . . 4.500 4.460 4.335  4.541 0.041  2  0 "[    .    1    .    2]" 1 
       511 1 42 VAL HA  1 42 VAL QG  . . 2.800 2.136 2.093  2.179     .  0  0 "[    .    1    .    2]" 1 
       512 1 42 VAL HB  1 43 GLU H   . . 4.500 4.091 3.889  4.205     .  0  0 "[    .    1    .    2]" 1 
       513 1 42 VAL QG  1 43 GLU H   . . 2.800 2.324 2.186  2.493     .  0  0 "[    .    1    .    2]" 1 
       514 1 42 VAL QG  1 43 GLU QG  . . 4.500 4.880 4.755  5.051 0.551 15  1 "[    .    1    +    2]" 1 
       515 1 43 GLU H   1 43 GLU QB  . . 3.500 2.514 2.309  2.652     .  0  0 "[    .    1    .    2]" 1 
       516 1 43 GLU HA  1 43 GLU QG  . . 3.500 2.448 2.332  2.651     .  0  0 "[    .    1    .    2]" 1 
       517 1 43 GLU HA  1 44 ILE H   . . 2.800 2.255 2.222  2.294     .  0  0 "[    .    1    .    2]" 1 
       518 1 43 GLU QG  1 44 ILE H   . . 2.800 2.462 2.257  2.626     .  0  0 "[    .    1    .    2]" 1 
       519 1 44 ILE H   1 44 ILE HB  . . 2.800 2.901 2.881  2.927 0.127  7  0 "[    .    1    .    2]" 1 
       520 1 44 ILE H   1 44 ILE MG  . . 4.500 3.938 3.925  3.952     .  0  0 "[    .    1    .    2]" 1 
       521 1 44 ILE H   1 45 LEU H   . . 4.500 4.337 4.256  4.373     .  0  0 "[    .    1    .    2]" 1 
       522 1 44 ILE HA  1 44 ILE MG  . . 2.800 2.262 2.237  2.290     .  0  0 "[    .    1    .    2]" 1 
       523 1 44 ILE HA  1 45 LEU H   . . 2.800 2.304 2.225  2.339     .  0  0 "[    .    1    .    2]" 1 
       524 1 44 ILE HB  1 45 LEU H   . . 4.500 3.769 3.632  3.919     .  0  0 "[    .    1    .    2]" 1 
       525 1 44 ILE MD  1 44 ILE MG  . . 2.800 2.110 2.076  2.138     .  0  0 "[    .    1    .    2]" 1 
       526 1 44 ILE MD  1 56 PHE QD  . . 5.500 4.455 4.130  4.796     .  0  0 "[    .    1    .    2]" 1 
       527 1 44 ILE MD  1 60 VAL QG  . . 2.800 2.245 2.002  2.448     .  0  0 "[    .    1    .    2]" 1 
       528 1 44 ILE MG  1 45 LEU H   . . 2.800 2.404 2.269  2.589     .  0  0 "[    .    1    .    2]" 1 
       529 1 44 ILE MG  1 46 ALA H   . . 5.500 4.695 4.553  4.858     .  0  0 "[    .    1    .    2]" 1 
       530 1 44 ILE MG  1 47 GLU H   . . 7.000 6.898 6.705  7.116 0.116  9  0 "[    .    1    .    2]" 1 
       531 1 44 ILE MG  1 56 PHE QD  . . 5.500 4.570 4.343  4.835     .  0  0 "[    .    1    .    2]" 1 
       532 1 44 ILE MG  1 59 ALA MB  . . 7.000 6.953 6.679  7.321 0.321 12  0 "[    .    1    .    2]" 1 
       533 1 44 ILE MG  1 60 VAL QG  . . 4.500 3.762 3.428  4.024     .  0  0 "[    .    1    .    2]" 1 
       534 1 45 LEU H   1 45 LEU QB  . . 3.500 2.657 2.519  2.722     .  0  0 "[    .    1    .    2]" 1 
       535 1 45 LEU H   1 46 ALA H   . . 5.500 4.199 4.120  4.305     .  0  0 "[    .    1    .    2]" 1 
       536 1 45 LEU HA  1 45 LEU QD  . . 3.500 2.967 2.338  3.143     .  0  0 "[    .    1    .    2]" 1 
       537 1 45 LEU HA  1 45 LEU HG  . . 3.500 2.575 2.467  2.885     .  0  0 "[    .    1    .    2]" 1 
       538 1 45 LEU HA  1 46 ALA H   . . 2.800 2.266 2.229  2.390     .  0  0 "[    .    1    .    2]" 1 
       539 1 45 LEU QB  1 45 LEU QD  . . 2.800 1.917 1.900  1.955     .  0  0 "[    .    1    .    2]" 1 
       540 1 45 LEU QB  1 46 ALA H   . . 5.500 3.885 3.811  3.960     .  0  0 "[    .    1    .    2]" 1 
       541 1 45 LEU QD  1 46 ALA H   . . 3.500 3.019 2.527  3.456     .  0  0 "[    .    1    .    2]" 1 
       542 1 45 LEU QD  1 46 ALA HA  . . 4.500 3.111 2.776  3.964     .  0  0 "[    .    1    .    2]" 1 
       543 1 45 LEU QD  1 46 ALA MB  . . 4.500 4.068 3.878  4.503 0.003 10  0 "[    .    1    .    2]" 1 
       544 1 45 LEU HG  1 46 ALA H   . . 3.500 3.080 2.577  3.554 0.054  5  0 "[    .    1    .    2]" 1 
       545 1 45 LEU HG  1 47 GLU HA  . . 7.000 6.494 5.923  7.015 0.015  6  0 "[    .    1    .    2]" 1 
       546 1 46 ALA H   1 46 ALA MB  . . 2.800 2.750 2.672  2.834 0.034 18  0 "[    .    1    .    2]" 1 
       547 1 46 ALA H   1 53 LEU QD  . . 5.500 4.003 3.825  4.290     .  0  0 "[    .    1    .    2]" 1 
       548 1 46 ALA HA  1 47 GLU H   . . 2.800 2.310 2.232  2.411     .  0  0 "[    .    1    .    2]" 1 
       549 1 46 ALA MB  1 47 GLU H   . . 3.500 2.502 2.297  2.714     .  0  0 "[    .    1    .    2]" 1 
       550 1 46 ALA MB  1 53 LEU QD  . . 3.500 2.801 2.454  3.085     .  0  0 "[    .    1    .    2]" 1 
       551 1 46 ALA MB  1 56 PHE QD  . . 5.500 4.960 4.824  5.144     .  0  0 "[    .    1    .    2]" 1 
       552 1 47 GLU H   1 48 GLY H   . . 5.500 4.526 4.462  4.595     .  0  0 "[    .    1    .    2]" 1 
       553 1 47 GLU H   1 53 LEU QD  . . 5.500 3.982 3.580  4.208     .  0  0 "[    .    1    .    2]" 1 
       554 1 47 GLU H   1 81 GLU QG  . . 4.500 4.024 3.130  4.522 0.022  6  0 "[    .    1    .    2]" 1 
       555 1 48 GLY H   1 49 PRO QD  . . 4.500 4.340 4.309  4.384     .  0  0 "[    .    1    .    2]" 1 
       556 1 48 GLY H   1 53 LEU QD  . . 2.800 2.453 2.217  2.601     .  0  0 "[    .    1    .    2]" 1 
       557 1 48 GLY H   1 53 LEU HG  . . 4.500 3.928 3.781  4.080     .  0  0 "[    .    1    .    2]" 1 
       558 1 48 GLY H   1 80 LEU QD  . . 5.500 3.762 3.074  4.571     .  0  0 "[    .    1    .    2]" 1 
       559 1 48 GLY H   1 81 GLU QG  . . 7.000 6.315 5.961  6.677     .  0  0 "[    .    1    .    2]" 1 
       560 1 48 GLY QA  1 49 PRO QD  . . 2.800 2.124 2.103  2.162     .  0  0 "[    .    1    .    2]" 1 
       561 1 48 GLY QA  1 53 LEU H   . . 5.500 4.327 4.126  4.463     .  0  0 "[    .    1    .    2]" 1 
       562 1 49 PRO HA  1 50 GLU H   . . 2.800 2.333 2.224  2.388     .  0  0 "[    .    1    .    2]" 1 
       563 1 49 PRO HA  1 52 ALA MB  . . 4.500 4.555 4.527  4.584 0.084  1  0 "[    .    1    .    2]" 1 
       564 1 49 PRO QB  1 50 GLU H   . . 4.500 2.837 2.708  2.962     .  0  0 "[    .    1    .    2]" 1 
       565 1 49 PRO QB  1 52 ALA MB  . . 4.500 3.622 3.415  3.703     .  0  0 "[    .    1    .    2]" 1 
       566 1 49 PRO QD  1 52 ALA H   . . 5.500 4.042 3.843  4.209     .  0  0 "[    .    1    .    2]" 1 
       567 1 49 PRO QD  1 52 ALA MB  . . 2.800 2.217 2.087  2.335     .  0  0 "[    .    1    .    2]" 1 
       568 1 49 PRO QD  1 53 LEU H   . . 5.500 4.244 4.040  4.329     .  0  0 "[    .    1    .    2]" 1 
       569 1 49 PRO QD  1 53 LEU QB  . . 5.500 5.484 5.121  5.535 0.035  5  0 "[    .    1    .    2]" 1 
       570 1 49 PRO QG  1 52 ALA H   . . 3.500 2.677 2.401  2.951     .  0  0 "[    .    1    .    2]" 1 
       571 1 49 PRO QG  1 52 ALA MB  . . 3.500 2.067 2.005  2.099     .  0  0 "[    .    1    .    2]" 1 
       572 1 49 PRO QG  1 53 LEU H   . . 4.500 4.143 4.050  4.200     .  0  0 "[    .    1    .    2]" 1 
       573 1 50 GLU H   1 53 LEU QD  . . 7.000 3.926 3.787  4.072     .  0  0 "[    .    1    .    2]" 1 
       574 1 50 GLU HA  1 50 GLU QG  . . 2.800 2.419 2.378  2.510     .  0  0 "[    .    1    .    2]" 1 
       575 1 50 GLU HA  1 51 ASN H   . . 5.500 3.609 3.598  3.624     .  0  0 "[    .    1    .    2]" 1 
       576 1 50 GLU HA  1 53 LEU QB  . . 2.800 2.704 2.518  2.821 0.021 20  0 "[    .    1    .    2]" 1 
       577 1 50 GLU HA  1 53 LEU QD  . . 2.800 2.475 2.295  2.782     .  0  0 "[    .    1    .    2]" 1 
       578 1 50 GLU QG  1 54 GLN QE  . . 4.500 3.479 2.433  4.522 0.022  8  0 "[    .    1    .    2]" 1 
       579 1 51 ASN H   1 52 ALA H   . . 4.500 2.766 2.730  2.825     .  0  0 "[    .    1    .    2]" 1 
       580 1 51 ASN HA  1 52 ALA H   . . 4.500 3.575 3.555  3.594     .  0  0 "[    .    1    .    2]" 1 
       581 1 51 ASN HA  1 53 LEU H   . . 7.000 4.590 4.497  4.646     .  0  0 "[    .    1    .    2]" 1 
       582 1 51 ASN HA  1 54 GLN H   . . 4.500 3.583 3.336  3.701     .  0  0 "[    .    1    .    2]" 1 
       583 1 51 ASN HA  1 54 GLN QB  . . 2.800 2.803 2.709  2.854 0.054  4  0 "[    .    1    .    2]" 1 
       584 1 51 ASN HA  1 55 SER H   . . 4.500 3.798 3.658  3.956     .  0  0 "[    .    1    .    2]" 1 
       585 1 52 ALA H   1 52 ALA MB  . . 2.800 2.223 2.203  2.255     .  0  0 "[    .    1    .    2]" 1 
       586 1 52 ALA H   1 53 LEU H   . . 3.500 2.574 2.482  2.648     .  0  0 "[    .    1    .    2]" 1 
       587 1 52 ALA H   1 54 GLN H   . . 4.500 4.154 4.089  4.225     .  0  0 "[    .    1    .    2]" 1 
       588 1 52 ALA HA  1 53 LEU H   . . 4.500 3.584 3.564  3.604     .  0  0 "[    .    1    .    2]" 1 
       589 1 52 ALA HA  1 56 PHE HA  . . 7.000 6.227 6.044  6.475     .  0  0 "[    .    1    .    2]" 1 
       590 1 52 ALA MB  1 53 LEU HG  . . 4.500 3.221 3.090  3.312     .  0  0 "[    .    1    .    2]" 1 
       591 1 53 LEU H   1 53 LEU QB  . . 2.800 2.362 2.282  2.406     .  0  0 "[    .    1    .    2]" 1 
       592 1 53 LEU H   1 53 LEU QD  . . 4.500 3.127 3.082  3.161     .  0  0 "[    .    1    .    2]" 1 
       593 1 53 LEU H   1 53 LEU HG  . . 3.500 2.337 2.268  2.490     .  0  0 "[    .    1    .    2]" 1 
       594 1 53 LEU H   1 54 GLN H   . . 3.500 2.789 2.766  2.831     .  0  0 "[    .    1    .    2]" 1 
       595 1 53 LEU H   1 54 GLN QG  . . 7.000 4.667 4.479  4.836     .  0  0 "[    .    1    .    2]" 1 
       596 1 53 LEU H   1 55 SER H   . . 5.500 4.267 4.205  4.345     .  0  0 "[    .    1    .    2]" 1 
       597 1 53 LEU H   1 56 PHE QD  . . 7.000 6.572 6.283  6.696     .  0  0 "[    .    1    .    2]" 1 
       598 1 53 LEU HA  1 53 LEU QD  . . 2.800 2.198 2.170  2.238     .  0  0 "[    .    1    .    2]" 1 
       599 1 53 LEU HA  1 56 PHE H   . . 3.500 3.657 3.471  3.792 0.292 18  0 "[    .    1    .    2]" 1 
       600 1 53 LEU HA  1 56 PHE QB  . . 3.500 2.645 2.527  2.788     .  0  0 "[    .    1    .    2]" 1 
       601 1 53 LEU HA  1 57 VAL H   . . 5.500 4.176 4.106  4.251     .  0  0 "[    .    1    .    2]" 1 
       602 1 53 LEU QB  1 54 GLN H   . . 3.500 2.480 2.392  2.579     .  0  0 "[    .    1    .    2]" 1 
       603 1 53 LEU QB  1 55 SER H   . . 5.500 4.755 4.662  4.852     .  0  0 "[    .    1    .    2]" 1 
       604 1 53 LEU QD  1 54 GLN H   . . 5.500 4.059 3.994  4.134     .  0  0 "[    .    1    .    2]" 1 
       605 1 53 LEU QD  1 56 PHE QD  . . 5.500 4.460 4.227  4.652     .  0  0 "[    .    1    .    2]" 1 
       606 1 53 LEU QD  1 74 VAL QG  . . 5.500 4.874 4.583  5.267     .  0  0 "[    .    1    .    2]" 1 
       607 1 53 LEU HG  1 54 GLN H   . . 5.500 4.478 4.395  4.616     .  0  0 "[    .    1    .    2]" 1 
       608 1 54 GLN H   1 54 GLN HA  . . 2.800 2.849 2.831  2.861 0.061  1  0 "[    .    1    .    2]" 1 
       609 1 54 GLN H   1 54 GLN QB  . . 2.800 2.378 2.296  2.653     .  0  0 "[    .    1    .    2]" 1 
       610 1 54 GLN H   1 54 GLN QG  . . 3.500 2.453 2.295  2.641     .  0  0 "[    .    1    .    2]" 1 
       611 1 54 GLN H   1 55 SER HA  . . 7.000 5.385 5.337  5.435     .  0  0 "[    .    1    .    2]" 1 
       612 1 54 GLN H   1 56 PHE QD  . . 7.000 6.351 6.063  6.539     .  0  0 "[    .    1    .    2]" 1 
       613 1 54 GLN H   1 57 VAL QG  . . 4.500 4.513 4.406  4.551 0.051  8  0 "[    .    1    .    2]" 1 
       614 1 54 GLN HA  1 55 SER H   . . 3.500 3.578 3.562  3.591 0.091 18  0 "[    .    1    .    2]" 1 
       615 1 54 GLN HA  1 56 PHE QD  . . 5.500 5.467 5.273  5.546 0.046  4  0 "[    .    1    .    2]" 1 
       616 1 54 GLN HA  1 57 VAL HB  . . 2.800 2.457 2.293  2.621     .  0  0 "[    .    1    .    2]" 1 
       617 1 54 GLN HA  1 58 GLU H   . . 5.500 4.074 3.904  4.159     .  0  0 "[    .    1    .    2]" 1 
       618 1 54 GLN QB  1 55 SER H   . . 3.500 2.714 2.538  2.897     .  0  0 "[    .    1    .    2]" 1 
       619 1 54 GLN QG  1 55 SER H   . . 5.500 4.299 4.116  4.438     .  0  0 "[    .    1    .    2]" 1 
       620 1 54 GLN QG  1 56 PHE H   . . 7.000 5.927 5.612  6.153     .  0  0 "[    .    1    .    2]" 1 
       621 1 55 SER H   1 55 SER HA  . . 2.800 2.862 2.839  2.888 0.089 20  0 "[    .    1    .    2]" 1 
       622 1 55 SER H   1 55 SER QB  . . 2.800 2.527 2.505  2.555     .  0  0 "[    .    1    .    2]" 1 
       623 1 55 SER H   1 56 PHE H   . . 2.800 2.729 2.648  2.769     .  0  0 "[    .    1    .    2]" 1 
       624 1 55 SER HA  1 55 SER QB  . . 2.800 2.350 2.320  2.363     .  0  0 "[    .    1    .    2]" 1 
       625 1 55 SER HA  1 56 PHE H   . . 4.500 3.602 3.589  3.619     .  0  0 "[    .    1    .    2]" 1 
       626 1 55 SER HA  1 57 VAL H   . . 7.000 4.563 4.429  4.630     .  0  0 "[    .    1    .    2]" 1 
       627 1 55 SER HA  1 58 GLU H   . . 4.500 3.394 3.125  3.517     .  0  0 "[    .    1    .    2]" 1 
       628 1 55 SER QB  1 56 PHE H   . . 3.500 2.607 2.530  2.795     .  0  0 "[    .    1    .    2]" 1 
       629 1 55 SER QB  1 57 VAL H   . . 5.500 4.912 4.867  5.003     .  0  0 "[    .    1    .    2]" 1 
       630 1 56 PHE H   1 56 PHE QB  . . 2.800 2.185 2.158  2.219     .  0  0 "[    .    1    .    2]" 1 
       631 1 56 PHE H   1 56 PHE QD  . . 4.500 4.139 4.083  4.184     .  0  0 "[    .    1    .    2]" 1 
       632 1 56 PHE H   1 58 GLU H   . . 5.500 4.315 4.259  4.375     .  0  0 "[    .    1    .    2]" 1 
       633 1 56 PHE H   1 59 ALA H   . . 5.500 4.686 4.629  4.731     .  0  0 "[    .    1    .    2]" 1 
       634 1 56 PHE H   1 59 ALA MB  . . 4.500 4.596 4.545  4.683 0.183 16  0 "[    .    1    .    2]" 1 
       635 1 56 PHE HA  1 56 PHE QB  . . 2.800 2.314 2.293  2.355     .  0  0 "[    .    1    .    2]" 1 
       636 1 56 PHE HA  1 56 PHE QD  . . 3.500 3.106 2.925  3.310     .  0  0 "[    .    1    .    2]" 1 
       637 1 56 PHE HA  1 59 ALA MB  . . 2.800 2.429 2.360  2.507     .  0  0 "[    .    1    .    2]" 1 
       638 1 56 PHE QB  1 56 PHE QD  . . 2.800 2.165 2.150  2.176     .  0  0 "[    .    1    .    2]" 1 
       639 1 56 PHE QB  1 57 VAL H   . . 4.500 2.628 2.529  2.708     .  0  0 "[    .    1    .    2]" 1 
       640 1 56 PHE QD  1 57 VAL H   . . 4.500 2.895 2.795  2.981     .  0  0 "[    .    1    .    2]" 1 
       641 1 56 PHE QD  1 57 VAL QG  . . 2.800 2.620 2.382  2.811 0.011  1  0 "[    .    1    .    2]" 1 
       642 1 56 PHE QD  1 60 VAL QG  . . 3.500 3.038 2.758  3.299     .  0  0 "[    .    1    .    2]" 1 
       643 1 56 PHE QD  1 74 VAL QG  . . 5.500 5.068 4.886  5.342     .  0  0 "[    .    1    .    2]" 1 
       644 1 57 VAL H   1 57 VAL HA  . . 2.800 2.812 2.806  2.819 0.019 19  0 "[    .    1    .    2]" 1 
       645 1 57 VAL H   1 57 VAL HB  . . 2.800 2.411 2.361  2.461     .  0  0 "[    .    1    .    2]" 1 
       646 1 57 VAL H   1 57 VAL QG  . . 2.800 2.261 2.217  2.299     .  0  0 "[    .    1    .    2]" 1 
       647 1 57 VAL H   1 58 GLU H   . . 3.500 2.906 2.868  2.938     .  0  0 "[    .    1    .    2]" 1 
       648 1 57 VAL H   1 59 ALA H   . . 4.500 4.234 4.175  4.285     .  0  0 "[    .    1    .    2]" 1 
       649 1 57 VAL HA  1 57 VAL QG  . . 2.800 2.197 2.179  2.211     .  0  0 "[    .    1    .    2]" 1 
       650 1 57 VAL HA  1 58 GLU H   . . 4.500 3.627 3.617  3.638     .  0  0 "[    .    1    .    2]" 1 
       651 1 57 VAL HA  1 59 ALA H   . . 5.500 4.405 4.365  4.462     .  0  0 "[    .    1    .    2]" 1 
       652 1 57 VAL HA  1 60 VAL H   . . 3.500 3.406 3.288  3.506 0.006 14  0 "[    .    1    .    2]" 1 
       653 1 57 VAL HA  1 60 VAL HB  . . 3.500 3.097 2.658  3.378     .  0  0 "[    .    1    .    2]" 1 
       654 1 57 VAL HA  1 60 VAL QG  . . 2.800 2.832 2.805  2.866 0.066 15  0 "[    .    1    .    2]" 1 
       655 1 57 VAL HA  1 61 LYS H   . . 7.000 3.911 3.795  4.026     .  0  0 "[    .    1    .    2]" 1 
       656 1 57 VAL HB  1 58 GLU H   . . 2.800 2.759 2.665  2.827 0.027 18  0 "[    .    1    .    2]" 1 
       657 1 57 VAL HB  1 74 VAL QG  . . 4.500 4.025 3.852  4.479     .  0  0 "[    .    1    .    2]" 1 
       658 1 57 VAL QG  1 58 GLU H   . . 3.500 3.175 3.093  3.254     .  0  0 "[    .    1    .    2]" 1 
       659 1 57 VAL QG  1 58 GLU HA  . . 3.500 3.430 3.351  3.508 0.008  9  0 "[    .    1    .    2]" 1 
       660 1 57 VAL QG  1 59 ALA H   . . 5.500 4.684 4.626  4.719     .  0  0 "[    .    1    .    2]" 1 
       661 1 57 VAL QG  1 60 VAL H   . . 5.500 4.427 4.321  4.515     .  0  0 "[    .    1    .    2]" 1 
       662 1 57 VAL QG  1 61 LYS QG  . . 3.500 4.452 2.656  4.840 1.340  4 19 "[***+-************* *]" 1 
       663 1 57 VAL QG  1 72 ILE MD  . . 4.500 2.595 2.260  2.955     .  0  0 "[    .    1    .    2]" 1 
       664 1 57 VAL QG  1 72 ILE MG  . . 5.500 4.270 3.731  4.674     .  0  0 "[    .    1    .    2]" 1 
       665 1 57 VAL QG  1 74 VAL QG  . . 2.800 1.998 1.871  2.341     .  0  0 "[    .    1    .    2]" 1 
       666 1 58 GLU H   1 58 GLU HA  . . 2.800 2.836 2.827  2.850 0.050 18  0 "[    .    1    .    2]" 1 
       667 1 58 GLU H   1 59 ALA H   . . 2.800 2.751 2.713  2.802 0.002 20  0 "[    .    1    .    2]" 1 
       668 1 58 GLU H   1 60 VAL H   . . 4.500 4.348 4.253  4.463     .  0  0 "[    .    1    .    2]" 1 
       669 1 58 GLU H   1 60 VAL QG  . . 5.500 4.991 4.966  5.016     .  0  0 "[    .    1    .    2]" 1 
       670 1 58 GLU H   1 61 LYS H   . . 5.500 4.787 4.741  4.907     .  0  0 "[    .    1    .    2]" 1 
       671 1 58 GLU H   1 61 LYS QB  . . 5.500 4.662 4.527  4.931     .  0  0 "[    .    1    .    2]" 1 
       672 1 58 GLU HA  1 59 ALA H   . . 3.500 3.562 3.553  3.580 0.080  8  0 "[    .    1    .    2]" 1 
       673 1 58 GLU HA  1 61 LYS H   . . 4.500 3.466 3.364  3.630     .  0  0 "[    .    1    .    2]" 1 
       674 1 58 GLU HA  1 61 LYS QG  . . 4.500 4.447 3.767  4.522 0.022 18  0 "[    .    1    .    2]" 1 
       675 1 59 ALA H   1 59 ALA HA  . . 2.800 2.852 2.846  2.862 0.062  1  0 "[    .    1    .    2]" 1 
       676 1 59 ALA H   1 59 ALA MB  . . 2.800 2.238 2.205  2.261     .  0  0 "[    .    1    .    2]" 1 
       677 1 59 ALA H   1 60 VAL H   . . 2.800 2.811 2.764  2.826 0.026 14  0 "[    .    1    .    2]" 1 
       678 1 59 ALA H   1 60 VAL QG  . . 5.500 4.201 4.131  4.244     .  0  0 "[    .    1    .    2]" 1 
       679 1 59 ALA HA  1 60 VAL H   . . 4.500 3.619 3.601  3.639     .  0  0 "[    .    1    .    2]" 1 
       680 1 59 ALA HA  1 62 ASN H   . . 4.500 3.746 3.492  4.059     .  0  0 "[    .    1    .    2]" 1 
       681 1 59 ALA HA  1 64 SER QB  . . 4.500 4.367 3.607  4.578 0.078  1  0 "[    .    1    .    2]" 1 
       682 1 59 ALA HA  1 65 PRO QD  . . 5.500 5.319 4.532  5.549 0.049 20  0 "[    .    1    .    2]" 1 
       683 1 59 ALA MB  1 60 VAL H   . . 2.800 2.607 2.538  2.708     .  0  0 "[    .    1    .    2]" 1 
       684 1 59 ALA MB  1 60 VAL QG  . . 3.500 3.245 3.115  3.320     .  0  0 "[    .    1    .    2]" 1 
       685 1 60 VAL H   1 60 VAL HA  . . 2.800 2.887 2.870  2.914 0.114 20  0 "[    .    1    .    2]" 1 
       686 1 60 VAL H   1 60 VAL HB  . . 2.800 2.680 2.484  2.808 0.008  1  0 "[    .    1    .    2]" 1 
       687 1 60 VAL H   1 60 VAL QG  . . 2.800 2.165 2.119  2.196     .  0  0 "[    .    1    .    2]" 1 
       688 1 60 VAL HA  1 60 VAL QG  . . 2.800 2.148 2.131  2.190     .  0  0 "[    .    1    .    2]" 1 
       689 1 60 VAL QG  1 61 LYS H   . . 4.500 3.212 3.048  3.291     .  0  0 "[    .    1    .    2]" 1 
       690 1 60 VAL QG  1 72 ILE MD  . . 3.500 2.535 2.173  3.018     .  0  0 "[    .    1    .    2]" 1 
       691 1 61 LYS H   1 61 LYS QG  . . 4.500 3.870 2.268  3.968     .  0  0 "[    .    1    .    2]" 1 
       692 1 61 LYS H   1 62 ASN H   . . 3.500 2.854 2.829  2.882     .  0  0 "[    .    1    .    2]" 1 
       693 1 61 LYS HA  1 62 ASN H   . . 4.500 3.584 3.569  3.599     .  0  0 "[    .    1    .    2]" 1 
       694 1 61 LYS HA  1 69 VAL QG  . . 2.800 2.281 2.057  2.668     .  0  0 "[    .    1    .    2]" 1 
       695 1 61 LYS HA  1 72 ILE MD  . . 3.500 2.890 2.415  3.510 0.010 19  0 "[    .    1    .    2]" 1 
       696 1 61 LYS QG  1 62 ASN H   . . 5.500 3.840 3.623  4.371     .  0  0 "[    .    1    .    2]" 1 
       697 1 61 LYS QG  1 63 GLY QA  . . 5.500 6.019 5.776  6.422 0.922 19 12 "[ ****  **1* * - * +*]" 1 
       698 1 61 LYS QG  1 72 ILE MG  . . 3.500 2.444 2.163  2.783     .  0  0 "[    .    1    .    2]" 1 
       699 1 62 ASN H   1 63 GLY H   . . 3.500 2.733 2.663  2.827     .  0  0 "[    .    1    .    2]" 1 
       700 1 62 ASN H   1 72 ILE MD  . . 7.000 5.262 5.018  5.758     .  0  0 "[    .    1    .    2]" 1 
       701 1 62 ASN QD  1 65 PRO QD  . . 4.500 4.535 4.493  4.574 0.074  2  0 "[    .    1    .    2]" 1 
       702 1 63 GLY H   1 63 GLY QA  . . 2.800 2.182 2.151  2.228     .  0  0 "[    .    1    .    2]" 1 
       703 1 64 SER QB  1 65 PRO QD  . . 2.800 2.036 1.965  2.125     .  0  0 "[    .    1    .    2]" 1 
       704 1 66 PHE QB  1 67 SER H   . . 4.500 3.208 2.237  4.062     .  0  0 "[    .    1    .    2]" 1 
       705 1 66 PHE QD  1 67 SER H   . . 5.500 2.999 2.128  4.840     .  0  0 "[    .    1    .    2]" 1 
       706 1 67 SER HA  1 68 LYS H   . . 4.500 2.490 2.292  4.100     .  0  0 "[    .    1    .    2]" 1 
       707 1 68 LYS HA  1 68 LYS QG  . . 3.500 3.443 2.349  3.524 0.024 17  0 "[    .    1    .    2]" 1 
       708 1 68 LYS HA  1 69 VAL H   . . 2.800 2.344 2.236  2.456     .  0  0 "[    .    1    .    2]" 1 
       709 1 68 LYS QE  1 68 LYS QG  . . 3.500 2.385 2.117  2.891     .  0  0 "[    .    1    .    2]" 1 
       710 1 68 LYS QE  1 70 THR MG  . . 3.500 2.875 2.064  3.515 0.015 18  0 "[    .    1    .    2]" 1 
       711 1 69 VAL HA  1 70 THR H   . . 2.800 2.268 2.187  2.308     .  0  0 "[    .    1    .    2]" 1 
       712 1 69 VAL HB  1 71 ASP H   . . 4.500 2.923 2.370  4.565 0.065 18  0 "[    .    1    .    2]" 1 
       713 1 69 VAL QG  1 71 ASP HA  . . 3.500 4.306 3.561  4.651 1.151 13 17 "[ -**.*******+**** **]" 1 
       714 1 70 THR H   1 71 ASP H   . . 2.800 1.811 1.789  1.954     .  0  0 "[    .    1    .    2]" 1 
       715 1 70 THR HA  1 70 THR HB  . . 2.800 2.518 2.494  2.541     .  0  0 "[    .    1    .    2]" 1 
       716 1 70 THR HA  1 70 THR MG  . . 2.800 2.328 2.311  2.348     .  0  0 "[    .    1    .    2]" 1 
       717 1 70 THR HA  1 71 ASP H   . . 4.500 3.447 3.368  3.493     .  0  0 "[    .    1    .    2]" 1 
       718 1 70 THR MG  1 71 ASP H   . . 4.500 4.285 4.239  4.350     .  0  0 "[    .    1    .    2]" 1 
       719 1 71 ASP H   1 71 ASP QB  . . 3.500 2.705 2.571  2.789     .  0  0 "[    .    1    .    2]" 1 
       720 1 71 ASP H   1 72 ILE H   . . 4.500 4.243 4.137  4.304     .  0  0 "[    .    1    .    2]" 1 
       721 1 71 ASP H   1 72 ILE HA  . . 5.500 4.749 4.697  4.800     .  0  0 "[    .    1    .    2]" 1 
       722 1 71 ASP QB  1 72 ILE H   . . 4.500 3.649 3.571  3.747     .  0  0 "[    .    1    .    2]" 1 
       723 1 72 ILE H   1 72 ILE HB  . . 3.500 3.458 3.327  3.523 0.023  9  0 "[    .    1    .    2]" 1 
       724 1 72 ILE H   1 72 ILE MG  . . 2.800 2.453 2.340  2.518     .  0  0 "[    .    1    .    2]" 1 
       725 1 72 ILE H   1 73 SER H   . . 4.500 4.229 4.139  4.334     .  0  0 "[    .    1    .    2]" 1 
       726 1 72 ILE HA  1 72 ILE HB  . . 2.800 2.392 2.341  2.431     .  0  0 "[    .    1    .    2]" 1 
       727 1 72 ILE HA  1 72 ILE QG  . . 3.500 2.410 2.364  2.490     .  0  0 "[    .    1    .    2]" 1 
       728 1 72 ILE HA  1 73 SER H   . . 2.800 2.210 2.178  2.247     .  0  0 "[    .    1    .    2]" 1 
       729 1 72 ILE HB  1 72 ILE MD  . . 2.800 2.349 2.331  2.362     .  0  0 "[    .    1    .    2]" 1 
       730 1 72 ILE HB  1 72 ILE QG  . . 2.800 2.437 2.422  2.455     .  0  0 "[    .    1    .    2]" 1 
       731 1 72 ILE HB  1 73 SER H   . . 4.500 4.070 4.010  4.121     .  0  0 "[    .    1    .    2]" 1 
       732 1 72 ILE QG  1 72 ILE MG  . . 2.800 2.320 2.306  2.337     .  0  0 "[    .    1    .    2]" 1 
       733 1 72 ILE QG  1 73 SER H   . . 3.500 2.410 2.249  2.595     .  0  0 "[    .    1    .    2]" 1 
       734 1 72 ILE MG  1 73 SER H   . . 4.500 4.086 3.902  4.262     .  0  0 "[    .    1    .    2]" 1 
       735 1 73 SER H   1 74 VAL HA  . . 5.500 4.709 4.631  4.759     .  0  0 "[    .    1    .    2]" 1 
       736 1 73 SER HA  1 74 VAL QG  . . 3.500 3.253 3.127  3.490     .  0  0 "[    .    1    .    2]" 1 
       737 1 74 VAL H   1 74 VAL HB  . . 2.800 2.757 2.660  2.886 0.086  6  0 "[    .    1    .    2]" 1 
       738 1 74 VAL H   1 74 VAL QG  . . 2.800 2.737 2.046  2.825 0.025 20  0 "[    .    1    .    2]" 1 
       739 1 74 VAL HA  1 74 VAL QG  . . 2.800 2.192 2.170  2.291     .  0  0 "[    .    1    .    2]" 1 
       740 1 74 VAL HA  1 75 THR H   . . 2.800 2.202 2.158  2.236     .  0  0 "[    .    1    .    2]" 1 
       741 1 74 VAL HA  1 76 GLU HA  . . 7.000 6.595 6.400  6.770     .  0  0 "[    .    1    .    2]" 1 
       742 1 74 VAL QG  1 75 THR H   . . 2.800 2.447 2.334  2.594     .  0  0 "[    .    1    .    2]" 1 
       743 1 74 VAL QG  1 76 GLU H   . . 5.500 4.318 3.889  4.531     .  0  0 "[    .    1    .    2]" 1 
       744 1 75 THR H   1 75 THR HB  . . 3.500 2.825 2.747  2.981     .  0  0 "[    .    1    .    2]" 1 
       745 1 75 THR H   1 75 THR HG1 . . 3.500 2.732 2.377  2.871     .  0  0 "[    .    1    .    2]" 1 
       746 1 75 THR HA  1 75 THR MG  . . 2.800 2.359 2.289  2.387     .  0  0 "[    .    1    .    2]" 1 
       747 1 75 THR HA  1 76 GLU H   . . 2.800 2.408 2.336  2.475     .  0  0 "[    .    1    .    2]" 1 
       748 1 75 THR HB  1 75 THR HG1 . . 2.800 2.300 2.237  2.459     .  0  0 "[    .    1    .    2]" 1 
       749 1 75 THR HB  1 76 GLU H   . . 4.500 3.770 3.465  4.038     .  0  0 "[    .    1    .    2]" 1 
       750 1 75 THR MG  1 76 GLU H   . . 3.500 2.374 2.236  2.589     .  0  0 "[    .    1    .    2]" 1 
       751 1 76 GLU HA  1 77 SER H   . . 2.800 2.266 2.185  2.370     .  0  0 "[    .    1    .    2]" 1 
       752 1 77 SER H   1 77 SER QB  . . 3.500 2.753 2.602  3.127     .  0  0 "[    .    1    .    2]" 1 
       753 1 77 SER HA  1 79 SER QB  . . 7.000 5.574 4.844  6.019     .  0  0 "[    .    1    .    2]" 1 
       754 1 77 SER QB  1 78 ARG H   . . 5.500 2.504 2.198  2.898     .  0  0 "[    .    1    .    2]" 1 
       755 1 77 SER QB  1 79 SER H   . . 2.800 2.536 2.182  2.975 0.175 14  0 "[    .    1    .    2]" 1 
       756 1 78 ARG H   1 78 ARG QB  . . 3.500 2.562 2.255  3.293     .  0  0 "[    .    1    .    2]" 1 
       757 1 78 ARG H   1 79 SER H   . . 4.500 2.300 1.930  3.159     .  0  0 "[    .    1    .    2]" 1 
       758 1 78 ARG H   1 80 LEU H   . . 7.000 5.519 4.346  6.952     .  0  0 "[    .    1    .    2]" 1 
       759 1 78 ARG HA  1 78 ARG QB  . . 2.800 2.382 2.136  2.526     .  0  0 "[    .    1    .    2]" 1 
       760 1 78 ARG HA  1 78 ARG QG  . . 3.500 2.778 2.345  3.491     .  0  0 "[    .    1    .    2]" 1 
       761 1 78 ARG HA  1 80 LEU QD  . . 3.500 3.767 2.983  4.544 1.044 13  7 "[    ** * 1* +-. *  2]" 1 
       762 1 78 ARG QB  1 79 SER H   . . 4.500 3.479 2.880  4.091     .  0  0 "[    .    1    .    2]" 1 
       763 1 79 SER H   1 80 LEU HA  . . 5.500 5.228 4.671  5.824 0.324 11  0 "[    .    1    .    2]" 1 
       764 1 79 SER HA  1 79 SER QB  . . 2.800 2.309 2.263  2.336     .  0  0 "[    .    1    .    2]" 1 
       765 1 79 SER HA  1 80 LEU H   . . 3.500 2.832 2.149  3.561 0.061 15  0 "[    .    1    .    2]" 1 
       766 1 79 SER QB  1 80 LEU H   . . 4.500 3.182 2.519  3.950     .  0  0 "[    .    1    .    2]" 1 
       767 1 80 LEU H   1 80 LEU QD  . . 3.500 2.566 2.018  2.970     .  0  0 "[    .    1    .    2]" 1 
       768 1 80 LEU HA  1 80 LEU QD  . . 3.500 2.353 2.114  3.433     .  0  0 "[    .    1    .    2]" 1 
       769 1 80 LEU HA  1 80 LEU HG  . . 4.500 2.982 2.396  3.744     .  0  0 "[    .    1    .    2]" 1 
       770 1 80 LEU HA  1 81 GLU H   . . 2.800 2.471 2.216  2.666     .  0  0 "[    .    1    .    2]" 1 
       771 1 80 LEU HA  1 81 GLU QG  . . 4.500 3.510 2.922  3.800     .  0  0 "[    .    1    .    2]" 1 
       772 1 80 LEU HA  1 82 GLY H   . . 4.500 4.173 3.844  4.446     .  0  0 "[    .    1    .    2]" 1 
       773 1 80 LEU QD  1 82 GLY H   . . 5.500 3.932 2.798  4.591     .  0  0 "[    .    1    .    2]" 1 
       774 1 81 GLU H   1 81 GLU QG  . . 4.500 2.553 2.165  3.226     .  0  0 "[    .    1    .    2]" 1 
       775 1 81 GLU H   1 82 GLY H   . . 3.500 1.971 1.780  2.446     .  0  0 "[    .    1    .    2]" 1 
       776 1 81 GLU HA  1 81 GLU QG  . . 3.500 3.160 2.518  3.517 0.017  2  0 "[    .    1    .    2]" 1 
       777 1 81 GLU HA  1 82 GLY H   . . 4.500 3.492 3.286  3.588     .  0  0 "[    .    1    .    2]" 1 
       778 1 82 GLY H   1 82 GLY QA  . . 2.800 2.233 2.178  2.334     .  0  0 "[    .    1    .    2]" 1 
       779 1 82 GLY H   1 83 HIS H   . . 3.500 2.443 2.146  2.867     .  0  0 "[    .    1    .    2]" 1 
       780 1 82 GLY QA  1 83 HIS H   . . 4.500 2.871 2.585  3.059     .  0  0 "[    .    1    .    2]" 1 
       781 1 83 HIS H   1 83 HIS QB  . . 3.500 2.355 2.157  3.171     .  0  0 "[    .    1    .    2]" 1 
       782 1 83 HIS H   1 85 ARG QG  . . 7.000 6.727 5.766  7.077 0.077 13  0 "[    .    1    .    2]" 1 
       783 1 83 HIS HA  1 85 ARG QG  . . 7.000 4.549 4.042  4.938     .  0  0 "[    .    1    .    2]" 1 
       784 1 85 ARG H   1 85 ARG QG  . . 4.500 2.698 2.413  3.288     .  0  0 "[    .    1    .    2]" 1 
       785 1 85 ARG H   1 86 PHE H   . . 5.500 4.350 4.299  4.411     .  0  0 "[    .    1    .    2]" 1 
       786 1 85 ARG HA  1 86 PHE H   . . 2.800 2.496 2.317  2.643     .  0  0 "[    .    1    .    2]" 1 
       787 1 85 ARG QG  1 86 PHE H   . . 4.500 3.869 3.260  4.423     .  0  0 "[    .    1    .    2]" 1 
       788 1 86 PHE H   1 86 PHE QB  . . 3.500 2.938 2.602  3.234     .  0  0 "[    .    1    .    2]" 1 
       789 1 86 PHE H   1 86 PHE QD  . . 5.500 2.839 2.416  3.263     .  0  0 "[    .    1    .    2]" 1 
       790 1 86 PHE H   1 87 SER H   . . 7.000 4.438 4.040  4.613     .  0  0 "[    .    1    .    2]" 1 
       791 1 86 PHE HA  1 87 SER H   . . 2.800 2.269 2.161  2.377     .  0  0 "[    .    1    .    2]" 1 
       792 1 86 PHE QB  1 87 SER H   . . 4.500 2.929 2.488  3.420     .  0  0 "[    .    1    .    2]" 1 
       793 1 86 PHE QD  1 87 SER H   . . 4.500 3.985 3.358  4.483     .  0  0 "[    .    1    .    2]" 1 
       794 1 87 SER H   1 87 SER QB  . . 3.500 2.635 2.514  2.807     .  0  0 "[    .    1    .    2]" 1 
       795 1 87 SER HA  1 87 SER QB  . . 2.800 2.348 2.261  2.385     .  0  0 "[    .    1    .    2]" 1 
       796 1 87 SER HA  1 88 ILE H   . . 2.800 2.357 2.229  2.441     .  0  0 "[    .    1    .    2]" 1 
       797 1 87 SER QB  1 88 ILE H   . . 3.500 2.580 2.389  2.811     .  0  0 "[    .    1    .    2]" 1 
       798 1 88 ILE H   1 88 ILE HB  . . 2.800 2.771 2.689  2.831 0.031 18  0 "[    .    1    .    2]" 1 
       799 1 88 ILE H   1 88 ILE MD  . . 4.500 4.277 4.161  4.395     .  0  0 "[    .    1    .    2]" 1 
       800 1 88 ILE H   1 88 ILE QG  . . 3.500 2.868 2.808  2.980     .  0  0 "[    .    1    .    2]" 1 
       801 1 88 ILE H   1 88 ILE MG  . . 4.500 3.907 3.868  3.925     .  0  0 "[    .    1    .    2]" 1 
       802 1 88 ILE H   1 90 TYR H   . . 7.000 6.510 5.985  7.056 0.056 20  0 "[    .    1    .    2]" 1 
       803 1 88 ILE HA  1 88 ILE MG  . . 2.800 2.349 2.282  2.418     .  0  0 "[    .    1    .    2]" 1 
       804 1 88 ILE HA  1 89 VAL H   . . 2.800 2.177 2.138  2.241     .  0  0 "[    .    1    .    2]" 1 
       805 1 88 ILE HB  1 88 ILE MD  . . 2.800 2.536 2.444  2.621     .  0  0 "[    .    1    .    2]" 1 
       806 1 88 ILE MD  1 88 ILE MG  . . 2.800 2.079 2.064  2.087     .  0  0 "[    .    1    .    2]" 1 
       807 1 88 ILE QG  1 89 VAL H   . . 4.500 4.379 4.324  4.495     .  0  0 "[    .    1    .    2]" 1 
       808 1 88 ILE MG  1 89 VAL H   . . 3.500 2.915 2.579  3.133     .  0  0 "[    .    1    .    2]" 1 
       809 1 89 VAL H   1 89 VAL HB  . . 3.500 2.688 2.403  3.652 0.152 16  0 "[    .    1    .    2]" 1 
       810 1 89 VAL H   1 89 VAL QG  . . 2.800 2.254 2.051  2.662     .  0  0 "[    .    1    .    2]" 1 
       811 1 89 VAL H   1 90 TYR H   . . 5.500 4.546 4.309  4.675     .  0  0 "[    .    1    .    2]" 1 
       812 1 89 VAL HA  1 89 VAL QG  . . 2.800 2.203 2.158  2.392     .  0  0 "[    .    1    .    2]" 1 
       813 1 89 VAL HA  1 90 TYR H   . . 2.800 2.302 2.204  2.470     .  0  0 "[    .    1    .    2]" 1 
       814 1 89 VAL HA  1 91 SER HA  . . 7.000 6.471 6.049  6.979     .  0  0 "[    .    1    .    2]" 1 
       815 1 89 VAL QG  1 90 TYR H   . . 3.500 2.473 2.032  3.120     .  0  0 "[    .    1    .    2]" 1 
       816 1 89 VAL QG  1 91 SER H   . . 3.500 2.360 1.837  3.032     .  0  0 "[    .    1    .    2]" 1 
       817 1 89 VAL QG  1 91 SER HA  . . 3.500 4.183 3.350  4.798 1.298  7 15 "[ * *.*+**1****** *-*]" 1 
       818 1 90 TYR H   1 90 TYR QB  . . 3.500 2.633 2.206  3.216     .  0  0 "[    .    1    .    2]" 1 
       819 1 90 TYR H   1 90 TYR QD  . . 4.500 3.412 2.301  4.499     .  0  0 "[    .    1    .    2]" 1 
       820 1 90 TYR H   1 91 SER H   . . 4.500 2.406 1.791  3.236     .  0  0 "[    .    1    .    2]" 1 
       821 1 90 TYR HA  1 90 TYR QB  . . 2.800 2.337 2.165  2.428     .  0  0 "[    .    1    .    2]" 1 
       822 1 90 TYR HA  1 90 TYR QD  . . 4.500 2.967 2.478  3.783     .  0  0 "[    .    1    .    2]" 1 
       823 1 90 TYR HA  1 91 SER H   . . 3.500 3.253 2.638  3.580 0.080 18  0 "[    .    1    .    2]" 1 
       824 1 90 TYR QB  1 90 TYR QD  . . 2.800 2.175 2.160  2.186     .  0  0 "[    .    1    .    2]" 1 
       825 1 90 TYR QB  1 91 SER H   . . 4.500 3.453 2.295  4.046     .  0  0 "[    .    1    .    2]" 1 
    stop_

save_



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