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
630088 6alk 25590 cing 4-filtered-FRED Wattos check stereo assignment distance


data_6alk


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        181
    _Stereo_assign_list.Swap_count           33
    _Stereo_assign_list.Swap_percentage      18.2
    _Stereo_assign_list.Deassign_count       43
    _Stereo_assign_list.Deassign_percentage  23.8
    _Stereo_assign_list.Model_count          20
    _Stereo_assign_list.Total_e_low_states   41.265
    _Stereo_assign_list.Total_e_high_states  199.284
    _Stereo_assign_list.Crit_abs_e_diff      0.100
    _Stereo_assign_list.Crit_rel_e_diff      0.000
    _Stereo_assign_list.Crit_mdls_favor_pct  75.0
    _Stereo_assign_list.Crit_sing_mdl_viol   1.000
    _Stereo_assign_list.Crit_multi_mdl_viol  0.500
    _Stereo_assign_list.Crit_multi_mdl_pct   50.0
    _Stereo_assign_list.Details              
;
Description of the tags in this list:
*  1 * NMR-STAR 3 administrative tag
*  2 * NMR-STAR 3 administrative tag
*  3 * NMR-STAR 3 administrative tag
*  4 * Number of triplets (atom-group pair and pseudo)
*  5 * Number of triplets that were swapped
*  6 * Percentage of triplets that were swapped
*  7 * Number of deassigned triplets
*  8 * Percentage of deassigned triplets
*  9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag

Description of the tags in the table below:
*  1 * Chain identifier (can be absent if none defined)
*  2 * Residue number
*  3 * Residue name
*  4 * Name of pseudoatom representing the triplet
*  5 * Ordinal number of assignment (1 is assigned first)
*  6 * 'yes' if assignment state is swapped with respect to restraint file
*  7 * Percentage of models in which the assignment with the lowest
        overall energy is favoured
*  8 * Percentage of difference between lowest and highest overall energy
        with respect to the highest overall energy
*  9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
        triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
        besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
        before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
        before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;


    loop_
       _Stereo_assign.Entity_assembly_ID
       _Stereo_assign.Comp_index_ID
       _Stereo_assign.Comp_ID
       _Stereo_assign.Pseudo_Atom_ID
       _Stereo_assign.Num
       _Stereo_assign.Swapped
       _Stereo_assign.Models_favoring_pct
       _Stereo_assign.Energy_difference_pct
       _Stereo_assign.Energy_difference
       _Stereo_assign.Energy_high_state
       _Stereo_assign.Energy_low_state
       _Stereo_assign.Constraint_count
       _Stereo_assign.Constraint_ambi_count
       _Stereo_assign.Deassigned
       _Stereo_assign.Violation_max
       _Stereo_assign.Single_mdl_crit_count
       _Stereo_assign.Multi_mdl_crit_count

       1   2 VAL QG    2 no   95.0  93.0  3.764  4.047 0.283 17 3 yes 1.668  1  5 
       1   3 PHE QB   64 no  100.0  87.6  1.941  2.216 0.275  7 1 no  0.084  0  0 
       1   5 TYR QB   33 yes  95.0  98.0  0.183  0.186 0.004 10 2 no  0.245  0  0 
       1   6 GLU QB   70 no   65.0  94.1  0.214  0.228 0.014  7 4 no  0.245  0  0 
       1   6 GLU QG   58 no   75.0  94.8  0.850  0.896 0.046  8 4 no  0.793  0  1 
       1   8 GLU QB  126 no    5.0 100.0  0.011  0.011 0.000  3 1 no  0.000  0  0 
       1   8 GLU QG   14 no   65.0   2.5  0.035  1.409 1.374 12 3 yes 1.792 13 15 
       1  12 VAL QG   29 no   95.0  92.1  2.450  2.660 0.211 10 1 yes 1.400  3  3 
       1  13 ILE QG  169 no  100.0 100.0  0.026  0.026 0.000  1 0 no  0.721  0  1 
       1  15 PRO QB   81 yes 100.0 100.0  0.125  0.125 0.000  6 2 no  0.000  0  0 
       1  15 PRO QD   63 no  100.0 100.0  0.057  0.057 0.000  7 1 no  0.463  0  0 
       1  15 PRO QG   42 no  100.0  99.8  2.596  2.600 0.004  9 2 no  0.115  0  0 
       1  17 ARG QB   69 yes 100.0  94.3  4.221  4.477 0.256  7 4 no  0.200  0  0 
       1  17 ARG QD  181 no  100.0   0.0  0.000  0.000 0.000  1 1 no  0.000  0  0 
       1  17 ARG QG   80 yes 100.0  98.1  0.707  0.721 0.014  6 2 no  0.200  0  0 
       1  17 ARG QH1  37 yes 100.0  96.4  3.548  3.682 0.134 10 6 yes 1.027  1  3 
       1  18 LEU QB   68 yes 100.0  99.2  1.301  1.311 0.010  7 3 no  0.094  0  0 
       1  18 LEU QD   44 no   70.0  84.1  1.661  1.975 0.314  9 3 yes 1.326  3  4 
       1  19 PHE QB   18 no  100.0  74.9  3.838  5.126 1.288 12 4 no  0.094  0  0 
       1  20 LYS QB   36 no   60.0  47.1  0.182  0.386 0.204 10 4 yes 0.760  0 12 
       1  20 LYS QD  111 no   90.0  86.3  0.001  0.001 0.000  4 3 no  0.000  0  0 
       1  20 LYS QE   19 no   65.0  40.7  0.247  0.606 0.360 12 9 yes 1.507  3  7 
       1  20 LYS QG   83 no   25.0  94.9  0.060  0.063 0.003  6 4 no  0.159  0  0 
       1  22 PHE QB   47 yes  95.0  71.1  5.432  7.643 2.211  9 5 no  0.252  0  0 
       1  23 VAL QG   53 yes 100.0 100.0  2.017  2.017 0.000  8 1 no  0.000  0  0 
       1  25 ASP QB  141 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1  27 ASP QB   65 no   90.0  83.9  0.856  1.020 0.164  7 2 yes 1.069  1  2 
       1  28 ASN QB  122 yes  90.0  99.8  0.245  0.246 0.000  3 0 no  0.077  0  0 
       1  29 LEU QB   10 yes 100.0 100.0  0.187  0.187 0.000 14 4 no  0.007  0  0 
       1  29 LEU QD   22 no   75.0  82.8  3.670  4.433 0.763 11 3 yes 2.388  4 11 
       1  30 ILE QG   86 no   40.0  74.9  0.582  0.777 0.195  5 0 yes 1.691  7  8 
       1  31 PRO QB  121 no  100.0 100.0  0.470  0.470 0.000  3 0 no  0.000  0  0 
       1  31 PRO QD   23 no  100.0  98.9  2.048  2.071 0.023 11 4 no  0.177  0  0 
       1  31 PRO QG   24 no  100.0  90.9  2.375  2.612 0.238 11 5 yes 1.374  2  5 
       1  32 LYS QD  140 no   35.0 100.0  0.130  0.130 0.000  2 0 no  0.001  0  0 
       1  32 LYS QG  168 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1  33 VAL QG    8 no  100.0 100.0  3.099  3.100 0.001 14 3 no  0.056  0  0 
       1  35 PRO QB   52 no  100.0   0.0  0.000  0.000 0.000  8 1 no  0.000  0  0 
       1  35 PRO QD  180 no  100.0   0.0  0.000  0.000 0.000  1 1 no  0.000  0  0 
       1  35 PRO QG  128 no  100.0   0.0  0.000  0.000 0.000  3 2 no  0.000  0  0 
       1  36 GLN QB  167 no   80.0  53.2  0.006  0.012 0.006  1 0 no  0.215  0  0 
       1  38 ILE QG   28 no   70.0  44.6  0.516  1.156 0.640 10 1 yes 1.317  6 27 
       1  39 LYS QD  166 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1  39 LYS QG  139 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1  41 SER QB   21 no   70.0  72.4  0.120  0.165 0.046 11 1 no  0.999  0  5 
       1  42 GLU QB  152 no  100.0 100.0  0.000  0.000 0.000  2 1 no  0.061  0  0 
       1  42 GLU QG  120 no   10.0  94.1  0.000  0.000 0.000  3 0 no  0.024  0  0 
       1  44 ILE QG   67 no   90.0  33.2  0.066  0.197 0.132  7 3 yes 1.485  1  3 
       1  45 GLU QG   46 no  100.0  95.3  0.649  0.681 0.032  9 5 no  0.793  0  1 
       1  46 GLY QA   55 no  100.0 100.0  1.242  1.242 0.000  8 2 no  0.000  0  0 
       1  47 SER QB  179 no  100.0   0.0  0.000  0.000 0.000  1 1 no  0.000  0  0 
       1  48 GLY QA   78 yes 100.0  99.9  0.997  0.998 0.001  6 1 no  0.082  0  0 
       1  50 PRO QB   99 no  100.0   0.0  0.000  0.000 0.000  4 0 no  0.000  0  0 
       1  50 PRO QG  165 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1  51 GLY QA   48 no  100.0   0.0  0.000  0.000 0.000  8 0 no  0.000  0  0 
       1  53 ILE QG   57 no   50.0  21.4  0.151  0.703 0.553  8 4 yes 1.227  4 19 
       1  54 LYS QD  178 no   95.0   4.7  0.000  0.000 0.000  1 1 no  0.062  0  0 
       1  54 LYS QE   91 no   50.0  61.9  0.486  0.786 0.300  5 4 yes 1.740  5 10 
       1  54 LYS QG  151 no  100.0   0.0  0.000  0.000 0.000  2 1 no  0.000  0  0 
       1  55 LYS QB  127 no  100.0   0.0  0.000  0.000 0.000  3 2 no  0.000  0  0 
       1  55 LYS QD  177 no   85.0  80.3  0.001  0.001 0.000  1 1 no  0.000  0  0 
       1  55 LYS QE   71 no   45.0  65.3  0.453  0.694 0.241  7 6 no  0.838  0  2 
       1  55 LYS QG  125 no   65.0  42.2  0.094  0.222 0.128  3 1 no  0.906  0  6 
       1  58 PHE QB   39 no   20.0   9.3  0.001  0.006 0.006  9 0 no  0.291  0  0 
       1  59 GLY QA   77 no   20.0  99.8  0.035  0.035 0.000  6 1 no  0.039  0  0 
       1  60 GLU QB  176 no  100.0   0.0  0.000  0.000 0.000  1 1 no  0.000  0  0 
       1  60 GLU QG  164 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1  61 GLY QA  138 no  100.0 100.0  0.000  0.000 0.000  2 0 no  0.020  0  0 
       1  63 GLN QE  119 no   60.0  99.5  0.843  0.848 0.004  3 0 no  0.187  0  0 
       1  65 ASN QB  118 no   30.0  99.4  0.005  0.005 0.000  3 0 no  0.021  0  0 
       1  66 TYR QB   13 yes 100.0  97.1  0.247  0.255 0.007 12 2 no  0.381  0  0 
       1  67 VAL QG    7 no   90.0  87.9  4.570  5.198 0.628 14 3 yes 2.107  5  6 
       1  68 LYS QB  117 no   80.0 100.0  0.095  0.095 0.000  3 0 no  0.000  0  0 
       1  68 LYS QD  163 no   70.0  94.4  1.262  1.337 0.075  1 0 no  0.746  0  3 
       1  68 LYS QE  110 no   40.0  32.1  0.014  0.043 0.029  4 3 no  0.485  0  0 
       1  68 LYS QG  108 no   90.0  89.3  0.042  0.047 0.005  4 2 no  0.416  0  0 
       1  69 HIS QB   62 no  100.0 100.0  0.729  0.729 0.000  7 1 no  0.000  0  0 
       1  70 ARG QB  155 no   65.0  28.7  0.040  0.139 0.099  2 2 no  0.871  0  3 
       1  70 ARG QH2 154 no  100.0  99.4  0.099  0.099 0.001  2 2 no  0.871  0  3 
       1  71 ILE QG   41 no  100.0  86.2  3.526  4.089 0.564  9 2 no  0.061  0  0 
       1  72 ASP QB   27 yes 100.0  99.9  1.308  1.309 0.001 10 0 no  0.090  0  0 
       1  73 GLU QB   98 yes 100.0 100.0  1.171  1.171 0.000  4 0 no  0.047  0  0 
       1  73 GLU QG   97 no   90.0  85.5  0.812  0.951 0.138  4 0 yes 1.374  1  2 
       1  74 ILE QG   61 no   20.0  71.2  0.000  0.001 0.000  7 1 no  0.062  0  0 
       1  75 ASP QB   26 yes 100.0  99.3  0.273  0.275 0.002 10 0 no  0.095  0  0 
       1  78 ASN QB   45 no  100.0  94.6  0.037  0.039 0.002  9 4 no  0.381  0  0 
       1  78 ASN QD   82 no    5.0 100.0  0.061  0.061 0.000  6 3 no  0.018  0  0 
       1  79 PHE QB    9 yes  75.0  96.5  0.179  0.185 0.006 14 4 no  0.124  0  0 
       1  81 TYR QB   25 no  100.0 100.0  0.004  0.004 0.000 10 0 no  0.237  0  0 
       1  83 CYS QB   76 no   50.0  79.7  0.167  0.210 0.042  6 1 no  0.516  0  1 
       1  85 LEU QB   54 no   80.0  60.7  0.277  0.456 0.179  8 2 yes 1.343  1  4 
       1  85 LEU QD   12 no   85.0  94.1 13.122 13.943 0.821 12 2 yes 2.084  4  9 
       1  86 ILE QG  150 no  100.0 100.0  0.000  0.000 0.000  2 1 no  0.037  0  0 
       1  87 GLU QB  137 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1  87 GLU QG  162 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1  88 GLY QA   32 yes 100.0 100.0  0.429  0.429 0.000 10 2 no  0.044  0  0 
       1  91 ILE QG  149 no   95.0  72.6  0.882  1.216 0.333  2 1 no  0.148  0  0 
       1  92 SER QB  136 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1  93 GLU QG  135 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1  95 LEU QB   89 no   75.0  99.9  0.293  0.293 0.000  5 1 no  0.092  0  0 
       1  95 LEU QD  124 no  100.0 100.0  0.001  0.001 0.000  3 1 no  0.125  0  0 
       1  96 GLU QB   96 yes 100.0 100.0  3.278  3.278 0.000  4 0 no  0.035  0  0 
       1  96 GLU QG  106 no   60.0  52.2  0.530  1.015 0.485  4 1 yes 1.365  6  6 
       1  97 LYS QE  175 no    5.0  37.6  0.010  0.026 0.016  1 1 no  0.000  0  0 
       1  97 LYS QG  148 no  100.0  53.6  0.000  0.001 0.000  2 1 no  0.033  0  0 
       1 100 TYR QB  174 no    5.0 100.0  0.000  0.000 0.000  1 1 no  0.000  0  0 
       1 101 GLU QB   75 no   65.0  69.4  0.541  0.779 0.239  6 1 yes 1.603  5 18 
       1 101 GLU QG  161 no  100.0 100.0  0.001  0.001 0.000  1 0 no  0.154  0  0 
       1 102 ILE QG  147 no   15.0  41.8  0.025  0.060 0.035  2 1 no  0.837  0  1 
       1 103 LYS QB   20 yes 100.0 100.0  1.606  1.606 0.000 11 0 no  0.040  0  0 
       1 103 LYS QE   92 no   40.0  62.7  0.466  0.744 0.278  5 5 no  0.976  0  5 
       1 103 LYS QG   85 no   60.0  38.5  0.792  2.060 1.268  5 0 yes 1.676 11 16 
       1 104 LEU QB   35 yes  95.0  99.7  0.602  0.604 0.002 10 4 no  0.124  0  0 
       1 104 LEU QD    6 no   95.0  91.4  3.642  3.986 0.343 15 4 yes 1.236  1  2 
       1 105 VAL QG   17 no   95.0  87.7  8.978 10.239 1.260 12 4 yes 2.266  5  9 
       1 107 SER QB    4 yes  95.0  86.6  1.017  1.175 0.158 16 1 yes 1.424  1  3 
       1 108 PRO QB   79 no   65.0  98.6  0.583  0.591 0.008  6 2 no  0.346  0  0 
       1 108 PRO QD  173 no  100.0   0.0  0.000  0.000 0.000  1 1 no  0.000  0  0 
       1 108 PRO QG  172 no  100.0   0.0  0.000  0.000 0.000  1 1 no  0.000  0  0 
       1 109 ASP QB  146 no  100.0 100.0  0.008  0.008 0.000  2 1 no  0.346  0  0 
       1 110 GLY QA   84 no   55.0   0.3  0.001  0.454 0.453  5 0 yes 1.070  4 11 
       1 111 GLY QA   74 no  100.0  98.7  1.443  1.461 0.018  6 1 no  0.232  0  0 
       1 112 SER QB   88 no   45.0   7.6  0.108  1.433 1.325  5 1 yes 1.406 10 24 
       1 113 ILE QG  160 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1 114 LEU QB   31 yes 100.0 100.0  1.141  1.141 0.000 10 2 no  0.000  0  0 
       1 114 LEU QD   40 yes 100.0 100.0  0.198  0.199 0.000  9 2 no  0.033  0  0 
       1 115 LYS QB   51 no  100.0 100.0  0.107  0.107 0.000  8 1 no  0.000  0  0 
       1 115 LYS QD  105 no  100.0   0.0  0.000  0.000 0.000  4 1 no  0.000  0  0 
       1 115 LYS QE  129 no  100.0   0.0  0.000  0.000 0.000  3 3 no  0.000  0  0 
       1 115 LYS QG  116 no   80.0  73.9  0.048  0.065 0.017  3 0 no  0.783  0  2 
       1 116 SER QB  104 no   45.0  15.3  0.043  0.280 0.237  4 1 no  0.966  0  6 
       1 118 SER QB   16 no   60.0  42.0  1.065  2.540 1.474 12 4 yes 1.146  6 24 
       1 119 LYS QB   60 yes  95.0  74.7  1.513  2.026 0.513  7 1 no  0.054  0  0 
       1 119 LYS QD  109 no   60.0  92.5  0.513  0.554 0.041  4 3 no  0.754  0  1 
       1 119 LYS QE  153 no   20.0  34.2  0.001  0.003 0.002  2 2 no  0.000  0  0 
       1 119 LYS QG  103 no   85.0  71.0  0.068  0.096 0.028  4 1 no  0.015  0  0 
       1 120 TYR QB   38 yes 100.0 100.0  0.302  0.302 0.000  9 0 no  0.028  0  0 
       1 121 HIS QB   95 no  100.0  99.9  1.145  1.146 0.001  4 0 no  0.082  0  0 
       1 123 LYS QB  145 no  100.0   0.0  0.000  0.000 0.000  2 1 no  0.000  0  0 
       1 123 LYS QD  144 no   45.0  38.9  0.275  0.707 0.432  2 1 yes 1.277  5  7 
       1 123 LYS QG  159 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1 125 ASP QB  134 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 126 HIS QB   59 no   15.0  80.8  0.041  0.051 0.010  7 0 no  0.311  0  0 
       1 127 GLU QB  102 yes  85.0  80.1  2.997  3.741 0.744  4 1 yes 1.028  1  5 
       1 127 GLU QG   94 no   20.0  49.1  0.001  0.003 0.002  4 0 no  0.124  0  0 
       1 128 ILE QG   15 no   65.0  38.0  1.326  3.495 2.168 12 4 yes 1.829  5 21 
       1 129 LYS QB  115 yes 100.0 100.0  0.254  0.254 0.000  3 0 no  0.000  0  0 
       1 129 LYS QE  143 no  100.0   0.0  0.000  0.000 0.000  2 1 no  0.000  0  0 
       1 129 LYS QG  114 no   10.0 100.0  0.000  0.000 0.000  3 0 no  0.000  0  0 
       1 130 GLU QB  158 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1 130 GLU QG  101 no    5.0 100.0  0.000  0.000 0.000  4 1 no  0.000  0  0 
       1 131 ASP QB  133 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 132 GLN QB   30 yes 100.0  78.1  2.111  2.703 0.592 10 2 no  0.033  0  0 
       1 132 GLN QG  100 yes  90.0  85.5  0.238  0.278 0.040  4 1 no  0.498  0  0 
       1 133 ILE QG    5 no   65.0  40.0  1.586  3.960 2.374 15 4 yes 1.637 17 27 
       1 134 LYS QB  132 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 134 LYS QD  157 no   55.0  16.6  0.031  0.185 0.154  1 0 yes 1.015  2  3 
       1 134 LYS QG  171 no  100.0   0.0  0.000  0.000 0.000  1 1 no  0.000  0  0 
       1 136 GLY QA  107 no   40.0 100.0  0.472  0.472 0.000  4 2 no  0.000  0  0 
       1 138 GLU QB   93 no   45.0  53.9  0.876  1.627 0.751  4 0 yes 1.052  5 19 
       1 138 GLU QG  170 no  100.0   0.0  0.000  0.000 0.000  1 1 no  0.000  0  0 
       1 139 GLU QB   56 no   35.0  26.0  0.567  2.182 1.615  8 3 yes 1.694 15 18 
       1 139 GLU QG  131 yes 100.0  99.4  0.163  0.164 0.001  2 0 no  0.099  0  0 
       1 141 SER QB  130 no   45.0  42.9  0.104  0.243 0.139  2 0 no  0.815  0  9 
       1 142 GLY QA   73 no  100.0  86.4  5.000  5.785 0.786  6 1 yes 1.580  7  7 
       1 143 ILE QG  113 no   70.0  10.2  0.062  0.603 0.542  3 0 yes 1.137  2 21 
       1 144 PHE QB   50 yes  85.0  76.7  1.643  2.141 0.498  8 1 yes 1.629  3  4 
       1 145 LYS QB   87 no   65.0   2.7  0.023  0.837 0.814  5 1 yes 1.435  7  7 
       1 145 LYS QG  156 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1 147 VAL QG    1 no   85.0  84.6  8.881 10.496 1.615 17 2 yes 2.074  8 13 
       1 148 GLU QB  123 no   65.0  37.7  0.801  2.126 1.324  3 1 yes 1.694 13 14 
       1 150 TYR QB   43 no  100.0  99.9  1.847  1.849 0.002  9 3 no  0.090  0  0 
       1 151 LEU QB   72 no  100.0  99.1  3.890  3.927 0.037  6 1 no  0.257  0  0 
       1 151 LEU QD    3 no   90.0  63.8  6.096  9.560 3.464 17 9 yes 2.551  4  6 
       1 152 LEU QD   49 no   60.0  56.8  1.295  2.280 0.985  8 1 yes 1.859  4  9 
       1 154 ASN QB   66 no   95.0  96.5  1.308  1.355 0.047  7 3 no  0.548  0  1 
       1 154 ASN QD   34 yes 100.0  99.7  1.184  1.188 0.004 10 3 no  0.185  0  0 
       1 155 PRO QB  142 no  100.0   0.0  0.000  0.000 0.000  2 1 no  0.000  0  0 
       1 155 PRO QD   11 yes 100.0  61.6  0.683  1.110 0.427 13 9 no  0.135  0  0 
       1 155 PRO QG   90 no   20.0  37.7  0.052  0.137 0.085  5 4 no  0.799  0  2 
       1 159 HIS QB  112 no  100.0   0.0  0.000  0.000 0.000  3 0 no  0.000  0  0 
    stop_

save_



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