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
562748 2lwi 18629 cing 4-filtered-FRED Wattos check stereo assignment distance


data_2lwi


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        176
    _Stereo_assign_list.Swap_count           0
    _Stereo_assign_list.Swap_percentage      0.0
    _Stereo_assign_list.Deassign_count       0
    _Stereo_assign_list.Deassign_percentage  0.0
    _Stereo_assign_list.Model_count          15
    _Stereo_assign_list.Total_e_low_states   1.274
    _Stereo_assign_list.Total_e_high_states  1.274
    _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   7 MET QG   8 no 100.0 0.0 0.000 0.035 0.035 12 0 no 0.231 0 0 
       1   9 GLU QB 129 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1   9 GLU QG  43 no 100.0 0.0 0.000 0.000 0.000  8 4 no 0.000 0 0 
       1  10 TYR QB 176 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  11 LYS QB  79 no 100.0 0.0 0.000 0.004 0.004  6 4 no 0.173 0 0 
       1  11 LYS QG 175 no   0.0 0.0 0.000 0.010 0.010  2 0 no 0.194 0 0 
       1  12 LEU QB 174 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  12 LEU QD 128 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  13 VAL QG  73 no 100.0 0.0 0.000 0.056 0.056  6 0 no 0.462 0 0 
       1  14 VAL QG  72 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.003 0 0 
       1  15 VAL QG  36 no 100.0 0.0 0.000 0.010 0.010  8 0 no 0.198 0 0 
       1  20 VAL QG   3 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.083 0 0 
       1  21 GLY QA  78 no 100.0 0.0 0.000 0.002 0.002  6 4 no 0.158 0 0 
       1  22 LYS QB 173 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  25 LEU QB 127 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  25 LEU QD 126 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.050 0 0 
       1  27 ILE QG 125 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  28 GLN QB 172 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  28 GLN QE 135 no   0.0 0.0 0.000 0.006 0.006  4 4 no 0.187 0 0 
       1  28 GLN QG 171 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.008 0 0 
       1  29 LEU QB 124 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  29 LEU QD  71 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1  30 ILE QG 170 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  31 GLN QB 169 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  31 GLN QE 123 no 100.0 0.0 0.000 0.024 0.024  4 0 no 0.278 0 0 
       1  31 GLN QG  70 no 100.0 0.0 0.000 0.002 0.002  6 0 no 0.142 0 0 
       1  32 ASN QB 168 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.042 0 0 
       1  33 HIS QB 122 no 100.0 0.0 0.000 0.007 0.007  4 0 no 0.181 0 0 
       1  34 PHE QB  77 no   0.0 0.0 0.000 0.006 0.006  6 4 no 0.187 0 0 
       1  35 VAL QG  35 no 100.0 0.0 0.000 0.149 0.149  8 0 no 0.484 0 0 
       1  36 ASP QB  69 no 100.0 0.0 0.000 0.008 0.008  6 0 no 0.268 0 0 
       1  39 ASP QB  21 no 100.0 0.0 0.000 0.033 0.033 10 4 no 0.239 0 0 
       1  40 PRO QD  42 no 100.0 0.0 0.000 0.018 0.018  8 4 no 0.225 0 0 
       1  41 SER QB 121 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.045 0 0 
       1  42 ILE QG  34 no 100.0 0.0 0.000 0.011 0.011  8 0 no 0.172 0 0 
       1  43 GLU QB 120 no 100.0 0.0 0.000 0.007 0.007  4 0 no 0.186 0 0 
       1  44 ASP QB 119 no 100.0 0.0 0.000 0.003 0.003  4 0 no 0.162 0 0 
       1  45 SER QB  68 no 100.0 0.0 0.000 0.023 0.023  6 0 no 0.222 0 0 
       1  47 ARG QB 118 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.054 0 0 
       1  47 ARG QD 117 no 100.0 0.0 0.000 0.003 0.003  4 0 no 0.172 0 0 
       1  47 ARG QG 116 no   0.0 0.0 0.000 0.020 0.020  4 0 no 0.211 0 0 
       1  48 LYS QB 115 no 100.0 0.0 0.000 0.002 0.002  4 0 no 0.093 0 0 
       1  48 LYS QD  67 no 100.0 0.0 0.000 0.003 0.003  6 0 no 0.138 0 0 
       1  48 LYS QG 167 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  49 GLN QE  41 no 100.0 0.0 0.000 0.000 0.000  8 4 no 0.000 0 0 
       1  49 GLN QG  14 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.067 0 0 
       1  50 VAL QG  20 no 100.0 0.0 0.000 0.050 0.050 10 0 no 0.339 0 0 
       1  51 VAL QG 114 no 100.0 0.0 0.000 0.004 0.004  4 0 no 0.223 0 0 
       1  52 ILE QG 166 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  53 ASP QB 165 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  55 GLU QB 113 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.035 0 0 
       1  55 GLU QG  66 no 100.0 0.0 0.000 0.002 0.002  6 0 no 0.079 0 0 
       1  57 CYS QB  33 no 100.0 0.0 0.000 0.007 0.007  8 0 no 0.199 0 0 
       1  58 LEU QB  13 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0 
       1  59 LEU QB 112 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  60 ASP QB  32 no 100.0 0.0 0.000 0.009 0.009  8 0 no 0.185 0 0 
       1  61 ILE QG 164 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  62 LEU QD   7 no 100.0 0.0 0.000 0.073 0.073 12 0 no 0.295 0 0 
       1  63 ASP QB  65 no 100.0 0.0 0.000 0.011 0.011  6 0 no 0.314 0 0 
       1  66 GLY QA 111 no 100.0 0.0 0.000 0.001 0.001  4 0 no 0.091 0 0 
       1  67 GLN QB 163 no 100.0 0.0 0.000 0.001 0.001  2 0 no 0.128 0 0 
       1  67 GLN QG 162 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.075 0 0 
       1  69 GLU QG 161 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  70 TYR QB  64 no 100.0 0.0 0.000 0.013 0.013  6 0 no 0.200 0 0 
       1  73 MET QG 110 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  75 ASP QB 109 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  76 GLN QB 108 no 100.0 0.0 0.000 0.001 0.001  4 0 no 0.119 0 0 
       1  77 TYR QB  63 no 100.0 0.0 0.000 0.005 0.005  6 0 no 0.202 0 0 
       1  78 MET QG  62 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1  79 ARG QD  76 no 100.0 0.0 0.000 0.024 0.024  6 4 no 0.275 0 0 
       1  79 ARG QG  75 no 100.0 0.0 0.000 0.005 0.005  6 4 no 0.283 0 0 
       1  81 GLY QA 107 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  82 GLU QB  31 no 100.0 0.0 0.000 0.000 0.000  8 0 no 0.014 0 0 
       1  82 GLU QG  12 no 100.0 0.0 0.000 0.006 0.006 12 4 no 0.173 0 0 
       1  83 GLY QA  22 no 100.0 0.0 0.000 0.016 0.016 10 8 no 0.217 0 0 
       1  85 LEU QB  40 no 100.0 0.0 0.000 0.000 0.000  8 4 no 0.000 0 0 
       1  85 LEU QD   4 no 100.0 0.0 0.000 0.019 0.019 14 4 no 0.266 0 0 
       1  86 CYS QB  19 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0 
       1  87 VAL QG  61 no 100.0 0.0 0.000 0.017 0.017  6 0 no 0.218 0 0 
       1  88 PHE QB  60 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1  90 ILE QG  18 no 100.0 0.0 0.000 0.015 0.015 10 0 no 0.185 0 0 
       1  91 ASN QB  59 no 100.0 0.0 0.000 0.013 0.013  6 0 no 0.277 0 0 
       1  91 ASN QD 106 no 100.0 0.0 0.000 0.015 0.015  4 0 no 0.272 0 0 
       1  92 ASN QB  58 no 100.0 0.0 0.000 0.016 0.016  6 0 no 0.182 0 0 
       1  92 ASN QD 160 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  94 LYS QB 105 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.009 0 0 
       1  95 SER QB 104 no 100.0 0.0 0.000 0.003 0.003  4 0 no 0.141 0 0 
       1  96 PHE QB  11 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0 
       1  97 GLU QB 103 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  97 GLU QG  30 no 100.0 0.0 0.000 0.006 0.006  8 0 no 0.214 0 0 
       1  99 ILE QG 159 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 100 HIS QB 102 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 101 GLN QB  57 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 101 GLN QE 158 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 101 GLN QG 101 no 100.0 0.0 0.000 0.033 0.033  4 0 no 0.192 0 0 
       1 102 TYR QB  56 no 100.0 0.0 0.000 0.003 0.003  6 0 no 0.200 0 0 
       1 103 ARG QB 157 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.014 0 0 
       1 103 ARG QD 156 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 104 GLU QG 100 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 105 GLN QB 155 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 105 GLN QE  55 no   0.0 0.0 0.000 0.005 0.005  6 0 no 0.178 0 0 
       1 105 GLN QG  99 no 100.0 0.0 0.000 0.029 0.029  4 0 no 0.570 0 1 
       1 107 LYS QB  98 no 100.0 0.0 0.000 0.003 0.003  4 0 no 0.188 0 0 
       1 107 LYS QD 154 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 107 LYS QG  97 no 100.0 0.0 0.000 0.001 0.001  4 0 no 0.088 0 0 
       1 108 ARG QD 153 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 108 ARG QG  96 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.031 0 0 
       1 109 VAL QG   2 no  86.7 0.0 0.000 0.052 0.052 18 8 no 0.346 0 0 
       1 110 LYS QD 152 no   0.0 0.0 0.000 0.021 0.021  2 0 no 0.374 0 0 
       1 110 LYS QE  39 no 100.0 0.0 0.000 0.053 0.053  8 4 no 0.332 0 0 
       1 110 LYS QG  54 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 111 ASP QB  95 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 112 SER QB  94 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 113 ASP QB 151 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 114 ASP QB  93 no 100.0 0.0 0.000 0.001 0.001  4 0 no 0.077 0 0 
       1 115 VAL QG  10 no 100.0 0.0 0.000 0.092 0.092 12 4 no 0.385 0 0 
       1 116 PRO QB 134 no 100.0 0.0 0.000 0.016 0.016  4 4 no 0.217 0 0 
       1 116 PRO QG  53 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 117 MET QG  29 no 100.0 0.0 0.000 0.028 0.028  8 0 no 0.272 0 0 
       1 118 VAL QG 150 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 119 LEU QB  92 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.055 0 0 
       1 119 LEU QD  28 no 100.0 0.0 0.000 0.083 0.083  8 0 no 0.370 0 0 
       1 120 VAL QG  91 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 122 ASN QB  90 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 122 ASN QD 133 no 100.0 0.0 0.000 0.002 0.002  4 4 no 0.158 0 0 
       1 124 CYS QB 149 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 126 LEU QB  89 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 126 LEU QD 148 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 129 ARG QB  52 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.024 0 0 
       1 129 ARG QD  51 no 100.0 0.0 0.000 0.005 0.005  6 0 no 0.145 0 0 
       1 131 VAL QG   1 no 100.0 0.0 0.000 0.005 0.005 18 4 no 0.105 0 0 
       1 132 GLU QB  88 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 132 GLU QG  17 no 100.0 0.0 0.000 0.005 0.005 10 0 no 0.154 0 0 
       1 134 ARG QB  87 no 100.0 0.0 0.000 0.001 0.001  4 0 no 0.071 0 0 
       1 134 ARG QD 147 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 135 GLN QB  38 no 100.0 0.0 0.000 0.001 0.001  8 4 no 0.088 0 0 
       1 135 GLN QE 132 no 100.0 0.0 0.000 0.000 0.000  4 4 no 0.000 0 0 
       1 137 GLN QB  86 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 137 GLN QE 146 no 100.0 0.0 0.000 0.009 0.009  2 0 no 0.208 0 0 
       1 138 ASP QB  50 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 139 LEU QB  49 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.069 0 0 
       1 139 LEU QD  48 no 100.0 0.0 0.000 0.001 0.001  6 0 no 0.108 0 0 
       1 141 ARG QB 145 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 141 ARG QG 144 no 100.0 0.0 0.000 0.001 0.001  2 0 no 0.114 0 0 
       1 143 TYR QB  16 no 100.0 0.0 0.000 0.008 0.008 10 0 no 0.209 0 0 
       1 144 GLY QA 143 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 145 ILE QG  47 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.023 0 0 
       1 146 PRO QB 142 no 100.0 0.0 0.000 0.001 0.001  2 0 no 0.094 0 0 
       1 146 PRO QD  27 no 100.0 0.0 0.000 0.000 0.000  8 0 no 0.016 0 0 
       1 146 PRO QG 141 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 147 TYR QB  26 no 100.0 0.0 0.000 0.000 0.000  8 0 no 0.000 0 0 
       1 148 ILE QG  25 no 100.0 0.0 0.000 0.010 0.010  8 0 no 0.188 0 0 
       1 149 GLU QB 140 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 151 SER QB  85 no 100.0 0.0 0.000 0.008 0.008  4 0 no 0.215 0 0 
       1 153 LYS QB 139 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 153 LYS QD  84 no 100.0 0.0 0.000 0.007 0.007  4 0 no 0.322 0 0 
       1 153 LYS QE 131 no 100.0 0.0 0.000 0.000 0.000  4 4 no 0.000 0 0 
       1 153 LYS QG  74 no 100.0 0.0 0.000 0.000 0.000  6 4 no 0.000 0 0 
       1 156 GLN QB  24 no 100.0 0.0 0.000 0.000 0.000  8 0 no 0.054 0 0 
       1 156 GLN QG  83 no 100.0 0.0 0.000 0.000 0.000  4 0 no 0.060 0 0 
       1 157 GLY QA 130 no 100.0 0.0 0.000 0.000 0.000  4 4 no 0.000 0 0 
       1 158 VAL QG  15 no   0.0 0.0 0.000 0.003 0.003 10 0 no 0.103 0 0 
       1 159 GLU QB  82 no 100.0 0.0 0.000 0.006 0.006  4 0 no 0.137 0 0 
       1 159 GLU QG  46 no 100.0 0.0 0.000 0.004 0.004  6 0 no 0.172 0 0 
       1 160 ASP QB   9 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.129 0 0 
       1 162 PHE QB  23 no 100.0 0.0 0.000 0.000 0.000  8 0 no 0.002 0 0 
       1 163 TYR QB  45 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 165 LEU QB  37 no 100.0 0.0 0.000 0.000 0.000  8 4 no 0.000 0 0 
       1 165 LEU QD   5 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0 
       1 166 VAL QG   6 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0 
       1 167 ARG QG 138 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.039 0 0 
       1 169 ILE QG 137 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 170 ARG QD  44 no 100.0 0.0 0.000 0.000 0.000  6 0 no 0.046 0 0 
       1 171 GLN QB  81 no 100.0 0.0 0.000 0.001 0.001  4 0 no 0.127 0 0 
       1 171 GLN QG 136 no 100.0 0.0 0.000 0.000 0.000  2 0 no 0.003 0 0 
       1 172 HIS QB  80 no 100.0 0.0 0.000 0.004 0.004  4 0 no 0.230 0 0 
    stop_

save_



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