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
590006 2mqn 25040 cing 4-filtered-FRED Wattos check stereo assignment distance


data_2mqn


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        195
    _Stereo_assign_list.Swap_count           1
    _Stereo_assign_list.Swap_percentage      0.5
    _Stereo_assign_list.Deassign_count       0
    _Stereo_assign_list.Deassign_percentage  0.0
    _Stereo_assign_list.Model_count          20
    _Stereo_assign_list.Total_e_low_states   0.098
    _Stereo_assign_list.Total_e_high_states  12.135
    _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   1 ASP QB 194 no  100.0   0.0 0.000 0.002 0.002  2 0 no 0.140 0 0 
       1   2 TYR QB 109 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1   3 GLY QA 193 no    0.0   0.0 0.000 0.002 0.002  2 0 no 0.118 0 0 
       1   4 PRO QG 192 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1   8 SER QB  67 no   20.0  23.9 0.000 0.001 0.001  6 0 no 0.113 0 0 
       1   9 PRO QB 191 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1   9 PRO QD 190 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  10 VAL QG   7 no  100.0   0.0 0.000 0.006 0.006 16 0 no 0.162 0 0 
       1  11 LEU QB  71 no  100.0   0.0 0.000 0.000 0.000  6 4 no 0.000 0 0 
       1  11 LEU QD  21 no  100.0   0.0 0.000 0.000 0.000 12 4 no 0.047 0 0 
       1  12 MET QB  66 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.054 0 0 
       1  12 MET QG 189 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.032 0 0 
       1  13 VAL QG 188 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  14 TYR QB  37 no  100.0   0.0 0.000 0.000 0.000  8 0 no 0.000 0 0 
       1  16 LEU QD   3 no   60.0 100.0 0.084 0.084 0.000 20 0 no 0.000 0 0 
       1  17 ASP QB 187 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  18 GLN QB 186 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  18 GLN QG 108 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  20 LYS QD  65 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.057 0 0 
       1  21 MET QB 185 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  21 MET QG 184 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  22 ASN QB 183 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  23 CYS QB   5 no    0.0   0.0 0.000 0.000 0.000 18 8 no 0.059 0 0 
       1  26 VAL QG  16 no  100.0   0.0 0.000 0.000 0.000 12 0 no 0.000 0 0 
       1  27 PHE QB 182 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  27 PHE QD 181 yes 100.0  99.9 4.255 4.258 0.003  2 0 no 0.154 0 0 
       1  29 VAL QG   9 no   10.0   0.0 0.000 0.015 0.015 16 4 no 0.197 0 0 
       1  30 PHE QB 107 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  32 LEU QB 180 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  32 LEU QD  10 no   25.0  73.0 0.005 0.008 0.002 15 4 no 0.123 0 0 
       1  33 TYR QB 179 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  34 GLY QA  64 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.099 0 0 
       1  35 ASN QB 178 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  36 VAL QG  26 no  100.0   0.0 0.000 0.000 0.000 10 0 no 0.000 0 0 
       1  37 GLU QB 177 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  37 GLU QG 176 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  38 LYS QB 175 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.030 0 0 
       1  39 VAL QG   8 no  100.0   0.0 0.000 0.000 0.000 16 4 no 0.052 0 0 
       1  43 LYS QB 111 no  100.0   0.0 0.000 0.000 0.000  4 4 no 0.000 0 0 
       1  43 LYS QD 110 no  100.0   0.0 0.000 0.000 0.000  4 4 no 0.000 0 0 
       1  43 LYS QE 174 no  100.0   0.0 0.000 0.001 0.001  2 0 no 0.080 0 0 
       1  43 LYS QG 173 no  100.0   0.0 0.000 0.002 0.002  2 0 no 0.119 0 0 
       1  45 LYS QB  63 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1  47 GLY QA 172 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.005 0 0 
       1  50 MET QB 106 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.047 0 0 
       1  50 MET QG  25 no  100.0   0.0 0.000 0.000 0.000 10 0 no 0.000 0 0 
       1  51 VAL QG  36 no  100.0   0.0 0.000 0.000 0.000  8 0 no 0.000 0 0 
       1  53 MET QB 171 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  55 ASP QB 105 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  57 TYR QB 170 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  59 VAL QG  15 no  100.0 100.0 0.155 0.155 0.000 12 0 no 0.005 0 0 
       1  60 ASP QB 104 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  61 ARG QB  62 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1  61 ARG QG  61 no  100.0   0.0 0.000 0.001 0.001  6 0 no 0.097 0 0 
       1  65 HIS QB 169 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  66 LEU QD  60 no  100.0   0.0 0.000 0.002 0.002  6 0 no 0.066 0 0 
       1  67 ASN QB  59 no  100.0   0.0 0.000 0.001 0.001  6 0 no 0.102 0 0 
       1  69 ASN QB 103 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  70 PHE QB 102 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  71 MET QB 101 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  71 MET QG  35 no  100.0  98.2 0.055 0.056 0.001  8 0 no 0.087 0 0 
       1  72 PHE QB 168 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  74 GLN QB  58 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1  74 GLN QG  57 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1  75 LYS QB  56 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1  75 LYS QG 167 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  76 MET QB 166 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  76 MET QG 165 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  77 ASN QB  34 no  100.0   0.0 0.000 0.000 0.000  8 0 no 0.000 0 0 
       1  78 VAL QG  24 no    5.0   4.8 0.000 0.000 0.000 10 0 no 0.049 0 0 
       1  79 CYS QB 164 no  100.0   0.0 0.000 0.001 0.001  2 0 no 0.102 0 0 
       1  80 VAL QG 163 no  100.0 100.0 2.419 2.419 0.000  2 0 no 0.000 0 0 
       1  82 LYS QD 100 no  100.0   0.0 0.000 0.003 0.003  4 0 no 0.193 0 0 
       1  83 GLN QB 162 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  83 GLN QG  55 no  100.0   0.0 0.000 0.002 0.002  6 0 no 0.098 0 0 
       1  84 PRO QD  99 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  86 ILE QG  98 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  87 MET QB 161 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  87 MET QG  97 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  91 SER QB  54 no  100.0 100.0 0.000 0.000 0.000  6 0 no 0.037 0 0 
       1  92 TYR QB 160 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  94 LEU QB  70 no  100.0   0.0 0.000 0.000 0.000  6 4 no 0.000 0 0 
       1  94 LEU QD   2 no    5.0  10.3 0.000 0.000 0.000 24 4 no 0.055 0 0 
       1  95 GLU QG  53 no  100.0   0.0 0.000 0.016 0.016  6 0 no 0.173 0 0 
       1  96 ASP QB  96 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1  98 SER QB 159 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1  99 CYS QB  52 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 101 TYR QB  51 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 102 LYS QB  39 no  100.0   0.0 0.000 0.000 0.000  8 4 no 0.000 0 0 
       1 102 LYS QD 158 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 102 LYS QE 157 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 102 LYS QG  50 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 103 ASP QB 156 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 106 GLU QB 155 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 106 GLU QG  95 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 107 SER QB 154 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 110 ASN QB 153 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 112 PHE QB 152 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.039 0 0 
       1 113 SER QB 151 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 115 PRO QD  49 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 116 GLU QB  94 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 116 GLU QG  93 no   55.0  73.5 0.001 0.001 0.000  4 0 no 0.054 0 0 
       1 117 GLN QB  48 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 120 LYS QB 150 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 120 LYS QG 149 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 121 ASN QB  92 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.012 0 0 
       1 122 ARG QB 148 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 123 ILE QG 147 no  100.0   0.0 0.000 0.001 0.001  2 0 no 0.132 0 0 
       1 126 PRO QB 146 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 127 SER QB  91 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 129 VAL QG  11 no  100.0  99.2 0.294 0.297 0.002 13 0 no 0.149 0 0 
       1 130 LEU QB  90 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 130 LEU QD  33 no    0.0   0.0 0.000 0.007 0.007  8 0 no 0.173 0 0 
       1 133 PHE QB 112 no  100.0  97.9 0.175 0.179 0.004  3 0 no 0.132 0 0 
       1 134 ASN QB 145 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 137 LEU QB  89 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 137 LEU QD  14 no   60.0   9.2 0.000 0.003 0.003 12 0 no 0.179 0 0 
       1 138 GLU QG 144 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 139 VAL QG   1 no  100.0   0.0 0.000 0.004 0.004 24 0 no 0.105 0 0 
       1 141 GLU QB  28 no  100.0   0.0 0.000 0.000 0.000 10 4 no 0.000 0 0 
       1 141 GLU QG  32 no  100.0   0.0 0.000 0.000 0.000  8 0 no 0.077 0 0 
       1 142 GLU QG  88 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 143 ASN QB  87 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 145 PHE QB 143 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 146 GLU QB 142 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 146 GLU QG  31 no  100.0   0.0 0.000 0.000 0.000  8 0 no 0.000 0 0 
       1 147 ILE QG  47 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 148 CYS QB 141 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 149 ASP QB  86 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 150 GLU QB  46 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 150 GLU QG  27 no  100.0   0.0 0.000 0.000 0.000 10 4 no 0.075 0 0 
       1 151 LEU QD   4 no  100.0   0.0 0.000 0.000 0.000 18 8 no 0.075 0 0 
       1 152 GLY QA 140 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 153 VAL QG   6 no  100.0   0.0 0.000 0.000 0.000 16 0 no 0.000 0 0 
       1 154 LYS QB 139 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 154 LYS QD 138 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 155 ARG QG 137 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 156 PRO QB  45 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 158 SER QB 136 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 159 VAL QG  20 no  100.0   0.0 0.000 0.000 0.000 12 4 no 0.000 0 0 
       1 160 LYS QB  85 no  100.0   0.0 0.000 0.001 0.001  4 0 no 0.108 0 0 
       1 160 LYS QE  44 no  100.0   0.0 0.000 0.002 0.002  6 0 no 0.151 0 0 
       1 161 VAL QG  19 no  100.0   0.0 0.000 0.000 0.000 12 4 no 0.000 0 0 
       1 162 PHE QB  84 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 169 SER QB 135 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 170 SER QB 134 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 171 SER QB  43 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 172 GLY QA  69 no  100.0   0.0 0.000 0.000 0.000  6 4 no 0.000 0 0 
       1 173 LEU QB 133 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 173 LEU QD 132 no    0.0   0.0 0.000 0.000 0.000  2 0 no 0.057 0 0 
       1 174 LEU QB 131 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 174 LEU QD  42 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 175 GLU QB 130 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 175 GLU QG 129 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 177 ASP QB  41 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 178 SER QB  30 no  100.0   0.0 0.000 0.000 0.000  8 0 no 0.023 0 0 
       1 180 SER QB  83 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 183 LEU QB  82 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 183 LEU QD  29 no  100.0 100.0 3.698 3.698 0.000  9 0 no 0.000 0 0 
       1 184 GLU QB  81 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 186 LEU QB 128 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 186 LEU QD  12 no   65.0  98.9 0.433 0.438 0.005 13 4 no 0.151 0 0 
       1 187 GLY QA 127 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 188 PHE QB  18 no  100.0   0.0 0.000 0.000 0.000 12 4 no 0.038 0 0 
       1 188 PHE QD 195 no   25.0  99.9 0.462 0.462 0.001  1 0 no 0.109 0 0 
       1 189 LEU QB  40 no  100.0   0.0 0.000 0.000 0.000  6 0 no 0.000 0 0 
       1 189 LEU QD  23 no  100.0   0.0 0.000 0.000 0.000 10 0 no 0.042 0 0 
       1 192 TYR QB  80 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 193 GLN QB  79 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 193 GLN QG 126 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 194 MET QB  68 no  100.0   0.0 0.000 0.000 0.000  6 4 no 0.000 0 0 
       1 194 MET QG  22 no  100.0   0.0 0.000 0.000 0.000 10 0 no 0.000 0 0 
       1 195 LYS QB 125 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 195 LYS QG  78 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.003 0 0 
       1 196 ASN QB  77 no  100.0   0.0 0.000 0.001 0.001  4 0 no 0.064 0 0 
       1 197 PRO QD  76 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 198 ASN QB  75 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 199 GLY QA 124 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 200 PRO QD  74 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 200 PRO QG 123 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 201 TYR QB  73 no  100.0   0.0 0.000 0.000 0.000  4 0 no 0.000 0 0 
       1 202 PRO QB 122 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 202 PRO QG 121 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 203 TYR QB  17 no  100.0   0.0 0.000 0.000 0.000 12 4 no 0.000 0 0 
       1 205 LEU QD  13 no  100.0   0.0 0.000 0.000 0.000 12 0 no 0.024 0 0 
       1 206 LYS QB 120 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 206 LYS QG 119 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 207 LEU QB 118 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 207 LEU QD 117 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 208 CYS QB  38 no    0.0   0.0 0.000 0.002 0.002  8 4 no 0.123 0 0 
       1 209 PHE QB 116 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 210 SER QB 115 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.071 0 0 
       1 213 GLN QB 114 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 214 HIS QB 113 no  100.0   0.0 0.000 0.000 0.000  2 0 no 0.000 0 0 
       1 216 SER QB  72 no  100.0   0.0 0.000 0.001 0.001  4 0 no 0.083 0 0 
    stop_

save_



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