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
424782 2g2b 6980 cing 4-filtered-FRED Wattos check stereo assignment distance


data_2g2b


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        225
    _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          20
    _Stereo_assign_list.Total_e_low_states   0.453
    _Stereo_assign_list.Total_e_high_states  139.781
    _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   3 LEU QB 221 no 100.0   0.0  0.000  0.000 0.000  1  0 no 0.000 0 0 
       1   3 LEU QD 220 no   5.0 100.0  0.000  0.000 0.000  1  0 no 0.000 0 0 
       1   4 GLU QB 163 no  40.0 100.0  0.021  0.021 0.000  3  1 no 0.000 0 0 
       1   4 GLU QG 202 no  60.0 100.0  0.033  0.033 0.000  2  1 no 0.000 0 0 
       1   5 SER QB 219 no 100.0   0.0  0.000  0.000 0.000  1  0 no 0.000 0 0 
       1   8 ARG QB 162 no 100.0   0.0  0.000  0.000 0.000  3  1 no 0.000 0 0 
       1   8 ARG QD 205 no 100.0   0.0  0.000  0.000 0.000  2  2 no 0.000 0 0 
       1   8 ARG QG 161 no 100.0 100.0  0.001  0.001 0.000  3  1 no 0.100 0 0 
       1   9 ASP QB 194 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  10 LEU QB 160 no  20.0  65.4  0.003  0.005 0.002  3  1 no 0.178 0 0 
       1  10 LEU QD 201 no   5.0 100.0  0.000  0.000 0.000  2  1 no 0.000 0 0 
       1  11 GLN QG 193 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  12 GLY QA 192 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  13 GLY QA 137 no  50.0  96.9  0.162  0.167 0.005  4  1 no 0.278 0 0 
       1  14 LYS QB 136 no  60.0  99.5  0.151  0.151 0.001  4  1 no 0.104 0 0 
       1  14 LYS QD 159 no  95.0  97.3  0.138  0.142 0.004  3  1 no 0.142 0 0 
       1  14 LYS QG 158 no  95.0  99.9  0.096  0.096 0.000  3  1 no 0.036 0 0 
       1  16 PHE QB 153 no 100.0   0.0  0.000  0.000 0.000  3  0 no 0.000 0 0 
       1  17 GLY QA 152 no 100.0 100.0  0.001  0.001 0.000  3  0 no 0.100 0 0 
       1  18 LEU QB 109 no  95.0 100.0  2.088  2.088 0.001  5  0 no 0.087 0 0 
       1  18 LEU QD 128 no 100.0 100.0  4.684  4.684 0.001  4  0 no 0.070 0 0 
       1  19 LEU QB  67 no 100.0  99.9  1.631  1.633 0.002  8  7 no 0.081 0 0 
       1  19 LEU QD  21 no 100.0  99.9  6.104  6.111 0.007 13 10 no 0.162 0 0 
       1  20 LYS QB 191 no  40.0 100.0  0.037  0.037 0.000  2  0 no 0.000 0 0 
       1  22 GLN QB  49 no  45.0  97.6  0.016  0.017 0.000 10  6 no 0.057 0 0 
       1  22 GLN QE  22 no 100.0  99.9  1.350  1.352 0.002 13 11 no 0.076 0 0 
       1  22 GLN QG  38 no  60.0  99.6  0.936  0.940 0.004 11  7 no 0.136 0 0 
       1  23 GLN QB  66 no   5.0 100.0  0.000  0.000 0.000  8  5 no 0.000 0 0 
       1  23 GLN QE   7 no 100.0  48.0  0.005  0.011 0.006 24 19 no 0.172 0 0 
       1  23 GLN QG  20 no 100.0  99.5  3.160  3.178 0.017 13  9 no 0.192 0 0 
       1  24 GLU QB 151 no  30.0 100.0  0.002  0.002 0.000  3  0 no 0.000 0 0 
       1  24 GLU QG 200 no  20.0  99.4  0.047  0.047 0.000  2  1 no 0.060 0 0 
       1  25 GLU QG 218 no 100.0   0.0  0.000  0.000 0.000  1  0 no 0.000 0 0 
       1  26 ARG QB 150 no 100.0   0.0  0.000  0.000 0.000  3  0 no 0.000 0 0 
       1  26 ARG QD 217 no   5.0 100.0  0.012  0.012 0.000  1  0 no 0.000 0 0 
       1  26 ARG QG 116 no  55.0  99.7  0.342  0.343 0.001  5  1 no 0.123 0 0 
       1  27 LEU QB  75 no  20.0 100.0  0.003  0.003 0.000  7  1 no 0.000 0 0 
       1  27 LEU QD   2 no 100.0  99.8 16.961 17.001 0.040 48 13 no 0.196 0 0 
       1  28 ASP QB  72 no   5.0 100.0  0.003  0.003 0.000  7  0 no 0.000 0 0 
       1  29 GLU QB 135 no   5.0  98.2  0.016  0.016 0.000  4  1 no 0.068 0 0 
       1  29 GLU QG  99 no  40.0  99.3  0.181  0.182 0.001  6  1 no 0.123 0 0 
       1  30 ILE QG 115 no 100.0  99.2  0.180  0.181 0.001  5  1 no 0.076 0 0 
       1  31 ASN QB  33 no  15.0 100.0  0.006  0.006 0.000 11  3 no 0.000 0 0 
       1  31 ASN QD  32 no 100.0  98.5  0.211  0.214 0.003 11  3 no 0.125 0 0 
       1  32 LYS QB 134 no 100.0 100.0  0.568  0.568 0.000  4  1 no 0.050 0 0 
       1  32 LYS QG  96 no  90.0  99.9  0.444  0.444 0.000  6  0 no 0.081 0 0 
       1  33 GLN QB  88 no 100.0   0.0  0.000  0.000 0.000  7  3 no 0.000 0 0 
       1  33 GLN QE  10 no  90.0  99.7  1.001  1.004 0.003 17  8 no 0.075 0 0 
       1  33 GLN QG  36 no 100.0   0.0  0.000  0.000 0.000 11  5 no 0.000 0 0 
       1  34 PHE QB   8 no 100.0   0.0  0.000  0.000 0.000 20  7 no 0.046 0 0 
       1  35 LEU QB  42 no 100.0   0.0  0.000  0.001 0.001 10  1 no 0.085 0 0 
       1  35 LEU QD  84 no  65.0  97.9  0.395  0.404 0.008  7  2 no 0.192 0 0 
       1  36 ASP QB  71 no 100.0 100.0  0.000  0.000 0.000  7  0 no 0.069 0 0 
       1  37 ASP QB  31 no 100.0 100.0  0.000  0.000 0.000 11  3 no 0.088 0 0 
       1  38 PRO QB  60 no 100.0   0.0  0.000  0.001 0.001  8  2 no 0.081 0 0 
       1  38 PRO QD  48 no 100.0   0.0  0.000  0.000 0.000 10  5 no 0.000 0 0 
       1  39 LYS QB  45 no   0.0   0.0  0.000  0.001 0.001 10  2 no 0.117 0 0 
       1  39 LYS QD  89 no  85.0  99.8  0.250  0.251 0.000  7  4 no 0.068 0 0 
       1  39 LYS QE  90 no  95.0  99.4  0.723  0.727 0.004  7  5 no 0.230 0 0 
       1  39 LYS QG  65 no  95.0  69.1  0.000  0.000 0.000  8  4 no 0.027 0 0 
       1  40 TYR QB  19 no  20.0  97.5  0.020  0.021 0.001 13  5 no 0.102 0 0 
       1  41 SER QB 190 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  42 SER QB 189 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  43 ASP QB  35 no   5.0  33.9  0.003  0.010 0.007 11  4 no 0.221 0 0 
       1  44 GLU QB  98 no 100.0   0.0  0.000  0.000 0.000  6  1 no 0.000 0 0 
       1  44 GLU QG 133 no  25.0 100.0  0.003  0.003 0.000  4  1 no 0.000 0 0 
       1  45 ASP QB  95 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.000 0 0 
       1  46 LEU QB  59 no 100.0 100.0  0.005  0.005 0.000  8  2 no 0.125 0 0 
       1  46 LEU QD   5 no 100.0  99.6  3.527  3.540 0.013 32 15 no 0.316 0 0 
       1  47 PRO QB 157 no 100.0   0.0  0.000  0.000 0.000  3  1 no 0.000 0 0 
       1  47 PRO QD  64 no  75.0 100.0  0.073  0.073 0.000  8  4 no 0.000 0 0 
       1  47 PRO QG 132 no 100.0  99.8  0.493  0.494 0.001  4  1 no 0.070 0 0 
       1  48 SER QB 188 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  49 LYS QB 187 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  49 LYS QD 186 no  45.0  99.9  0.265  0.266 0.000  2  0 no 0.061 0 0 
       1  49 LYS QG  94 no   5.0  99.3  0.000  0.000 0.000  6  0 no 0.007 0 0 
       1  50 LEU QB  62 no  25.0 100.0  0.001  0.001 0.000  8  3 no 0.000 0 0 
       1  50 LEU QD   9 no 100.0 100.0  2.204  2.205 0.001 18 10 no 0.073 0 0 
       1  51 GLU QB 114 no  60.0  96.9  0.087  0.089 0.003  5  1 no 0.125 0 0 
       1  51 GLU QG 127 no  25.0  97.6  0.004  0.004 0.000  4  0 no 0.041 0 0 
       1  52 GLY QA 185 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  53 PHE QB  34 no 100.0 100.0  0.000  0.000 0.000 11  4 no 0.028 0 0 
       1  54 LYS QB 184 no  60.0  75.8  0.017  0.023 0.006  2  0 no 0.158 0 0 
       1  54 LYS QD 149 no  80.0  99.9  0.860  0.860 0.001  3  0 no 0.087 0 0 
       1  54 LYS QG 148 no 100.0   0.0  0.000  0.000 0.000  3  0 no 0.000 0 0 
       1  55 GLU QB 183 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  55 GLU QG 182 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  56 LYS QB  83 no  10.0  94.2  0.008  0.008 0.000  7  2 no 0.056 0 0 
       1  56 LYS QE 204 no 100.0   0.0  0.000  0.000 0.000  2  2 no 0.000 0 0 
       1  56 LYS QG  25 no 100.0   0.0  0.000  0.002 0.002 12  4 no 0.142 0 0 
       1  57 TYR QB  70 no  75.0  99.9  0.054  0.054 0.000  7  0 no 0.036 0 0 
       1  58 MET QB 143 no  90.0  99.8  0.665  0.666 0.001  4  2 no 0.137 0 0 
       1  58 MET QG  53 no  95.0  99.0  1.252  1.265 0.013  9  5 no 0.201 0 0 
       1  59 GLU QB 131 no  35.0  99.9  0.486  0.487 0.001  4  1 no 0.090 0 0 
       1  59 GLU QG  74 no  20.0  82.1  0.024  0.029 0.005  7  1 no 0.153 0 0 
       1  60 PHE QB  28 no 100.0   0.0  0.000  0.000 0.000 11  0 no 0.000 0 0 
       1  61 ASP QB 108 no 100.0   0.0  0.000  0.000 0.000  5  0 no 0.000 0 0 
       1  62 LEU QB  12 no 100.0   0.0  0.000  0.007 0.007 16  8 no 0.139 0 0 
       1  62 LEU QD   3 no 100.0  98.9  5.008  5.061 0.053 43 14 no 0.236 0 0 
       1  63 ASN QB  63 no 100.0   0.0  0.000  0.000 0.000  8  4 no 0.000 0 0 
       1  63 ASN QD  26 no  80.0   0.5  0.000  0.004 0.004 12  6 no 0.118 0 0 
       1  64 GLY QA 126 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1  65 ASN QB  47 no 100.0   0.0  0.000  0.000 0.000 10  4 no 0.000 0 0 
       1  65 ASN QD 118 no  95.0  99.9  0.774  0.775 0.001  5  4 no 0.088 0 0 
       1  66 GLY QA  37 no 100.0 100.0  0.002  0.002 0.000 11  7 no 0.114 0 0 
       1  67 ASP QB  58 no  95.0  99.8  0.768  0.770 0.002  8  2 no 0.106 0 0 
       1  68 ILE QG  44 no  90.0  99.4  0.325  0.326 0.002 10  2 no 0.085 0 0 
       1  69 ASP QB  27 no  70.0  99.5  1.401  1.407 0.006 11  0 no 0.167 0 0 
       1  70 ILE QG 107 no 100.0   0.0  0.000  0.003 0.003  5  0 no 0.123 0 0 
       1  71 MET QB 100 no 100.0   0.0  0.000  0.000 0.000  6  2 no 0.000 0 0 
       1  71 MET QG  82 no 100.0   0.0  0.000  0.000 0.000  7  2 no 0.000 0 0 
       1  72 SER QB 125 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1  73 LEU QB  41 no 100.0  99.5  0.240  0.241 0.001 10  1 no 0.096 0 0 
       1  73 LEU QD  16 no 100.0  99.9  6.851  6.857 0.005 13  2 no 0.159 0 0 
       1  74 LYS QB 106 no   5.0  97.7  0.001  0.001 0.000  5  0 no 0.023 0 0 
       1  74 LYS QD 181 no  75.0  99.1  0.428  0.432 0.004  2  0 no 0.274 0 0 
       1  74 LYS QE 104 no  90.0  98.6  0.933  0.946 0.013  6  4 no 0.215 0 0 
       1  74 LYS QG  52 no  70.0  99.5  0.872  0.877 0.005  9  3 no 0.146 0 0 
       1  75 ARG QB 156 no   5.0 100.0  0.000  0.000 0.000  3  1 no 0.000 0 0 
       1  75 ARG QD 164 no   5.0  79.8  0.008  0.011 0.002  3  2 no 0.148 0 0 
       1  75 ARG QG 199 no 100.0   0.0  0.000  0.000 0.000  2  1 no 0.000 0 0 
       1  76 MET QB 113 no   5.0  97.3  0.005  0.005 0.000  5  1 no 0.046 0 0 
       1  77 LEU QB  81 no 100.0 100.0  0.001  0.001 0.000  7  2 no 0.096 0 0 
       1  77 LEU QD  40 no 100.0  99.7  1.264  1.268 0.003 10  1 no 0.143 0 0 
       1  78 GLU QB 112 no 100.0   0.0  0.000  0.000 0.000  5  1 no 0.000 0 0 
       1  78 GLU QG  80 no  65.0  99.0  0.639  0.646 0.006  7  2 no 0.146 0 0 
       1  79 LYS QB 180 no  45.0 100.0  0.004  0.004 0.000  2  0 no 0.000 0 0 
       1  79 LYS QG 147 no 100.0   0.0  0.000  0.000 0.000  3  0 no 0.000 0 0 
       1  80 LEU QB 155 no 100.0   0.0  0.000  0.000 0.000  3  1 no 0.000 0 0 
       1  80 LEU QD  29 no 100.0  99.8  4.238  4.248 0.009 11  2 no 0.129 0 0 
       1  81 GLY QA 124 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1  82 VAL QG  18 no  90.0  99.9  3.006  3.008 0.002 13  5 no 0.116 0 0 
       1  83 PRO QB 179 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  83 PRO QD 102 no 100.0   0.0  0.000  0.000 0.000  6  3 no 0.000 0 0 
       1  84 LYS QB 142 no  20.0 100.0  0.025  0.025 0.000  4  2 no 0.000 0 0 
       1  84 LYS QD 178 no  75.0  99.8  0.183  0.184 0.000  2  0 no 0.052 0 0 
       1  84 LYS QE 165 no  15.0  99.9  0.075  0.075 0.000  3  3 no 0.033 0 0 
       1  84 LYS QG 141 no 100.0   0.0  0.000  0.000 0.000  4  2 no 0.000 0 0 
       1  86 HIS QB 111 no   5.0 100.0  0.001  0.001 0.000  5  1 no 0.000 0 0 
       1  87 LEU QB  93 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.000 0 0 
       1  87 LEU QD 177 no  55.0 100.0  0.689  0.689 0.000  2  0 no 0.057 0 0 
       1  88 GLU QB  57 no  85.0  99.9  0.223  0.223 0.000  8  1 no 0.050 0 0 
       1  88 GLU QG  97 no 100.0   0.0  0.000  0.000 0.000  6  1 no 0.041 0 0 
       1  89 LEU QB  87 no 100.0   0.0  0.000  0.000 0.000  7  3 no 0.000 0 0 
       1  89 LEU QD  13 no 100.0  99.7  3.017  3.025 0.009 15  6 no 0.151 0 0 
       1  90 LYS QB 130 no   5.0 100.0  0.001  0.001 0.000  4  1 no 0.001 0 0 
       1  90 LYS QD 216 no  50.0  97.4  0.124  0.127 0.003  1  0 no 0.222 0 0 
       1  90 LYS QE 215 no 100.0   0.0  0.000  0.000 0.000  1  0 no 0.000 0 0 
       1  90 LYS QG  79 no  95.0  98.2  1.261  1.284 0.023  7  2 no 0.218 0 0 
       1  91 LYS QB 123 no 100.0 100.0  0.000  0.000 0.000  4  0 no 0.054 0 0 
       1  91 LYS QE 140 no  65.0  99.6  0.484  0.486 0.002  4  2 no 0.109 0 0 
       1  91 LYS QG  78 no   5.0  93.3  0.000  0.000 0.000  7  2 no 0.024 0 0 
       1  92 LEU QB  43 no 100.0  99.9  1.193  1.195 0.001 10  2 no 0.082 0 0 
       1  92 LEU QD  11 no 100.0  99.8  2.912  2.919 0.007 16  3 no 0.132 0 0 
       1  93 ILE QG  69 no  15.0  96.1  0.034  0.035 0.001  7  0 no 0.165 0 0 
       1  94 GLY QA 146 no 100.0 100.0  0.002  0.002 0.000  3  0 no 0.136 0 0 
       1  95 GLU QB  50 no 100.0 100.0  0.843  0.843 0.000  9  1 no 0.030 0 0 
       1  95 GLU QG  61 no 100.0  99.8  2.497  2.501 0.004  8  3 no 0.135 0 0 
       1  96 VAL QG   4 no 100.0  99.6  5.493  5.513 0.020 36  6 no 0.159 0 0 
       1  97 SER QB  23 no  85.0  99.3  0.684  0.689 0.005 12  0 no 0.136 0 0 
       1  98 SER QB 214 no 100.0   0.0  0.000  0.000 0.000  1  0 no 0.000 0 0 
       1  99 GLY QA 122 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1 101 GLY QA 121 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1 102 GLU QB  92 no  45.0  99.3  0.057  0.057 0.000  6  0 no 0.068 0 0 
       1 102 GLU QG  56 no  85.0  99.6  0.390  0.391 0.001  8  1 no 0.114 0 0 
       1 104 PHE QB  17 no  45.0  98.3  0.171  0.174 0.003 13  3 no 0.189 0 0 
       1 105 SER QB  68 no   5.0 100.0  0.002  0.002 0.000  7  0 no 0.000 0 0 
       1 106 TYR QB 101 no 100.0   0.0  0.000  0.000 0.000  6  3 no 0.000 0 0 
       1 107 PRO QB  77 no  10.0 100.0  0.024  0.024 0.000  7  2 no 0.000 0 0 
       1 107 PRO QD  86 no  25.0 100.0  0.022  0.022 0.000  7  3 no 0.000 0 0 
       1 108 ASP QB  14 no  80.0  98.7  0.250  0.253 0.003 14  5 no 0.189 0 0 
       1 109 PHE QB  91 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.000 0 0 
       1 110 LEU QB  15 no 100.0   0.0  0.000  0.000 0.000 14  6 no 0.000 0 0 
       1 110 LEU QD   1 no 100.0  99.9 23.252 23.267 0.015 51 17 no 0.145 0 0 
       1 111 ARG QB 139 no  85.0 100.0  0.307  0.307 0.000  4  2 no 0.000 0 0 
       1 111 ARG QD 154 no 100.0   0.0  0.000  0.000 0.000  3  1 no 0.000 0 0 
       1 112 MET QB 120 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1 113 MET QB  73 no  20.0  96.1  0.006  0.006 0.000  7  1 no 0.055 0 0 
       1 113 MET QG  76 no  35.0  99.0  0.037  0.037 0.000  7  2 no 0.077 0 0 
       1 114 LEU QB 117 no  25.0  97.8  0.013  0.014 0.000  5  2 no 0.055 0 0 
       1 114 LEU QD   6 no 100.0  99.9  9.153  9.166 0.013 29 12 no 0.172 0 0 
       1 115 GLY QA 105 no  25.0  99.9  0.106  0.106 0.000  5  0 no 0.026 0 0 
       1 116 LYS QB 119 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1 116 LYS QD 225 no 100.0   0.0  0.000  0.000 0.000  1  1 no 0.000 0 0 
       1 116 LYS QE 203 no   5.0 100.0  0.006  0.006 0.000  2  2 no 0.000 0 0 
       1 116 LYS QG 198 no   5.0 100.0  0.007  0.007 0.000  2  1 no 0.000 0 0 
       1 117 ARG QB 213 no 100.0   0.0  0.000  0.000 0.000  1  0 no 0.000 0 0 
       1 117 ARG QD 212 no  25.0  98.7  0.066  0.067 0.001  1  0 no 0.126 0 0 
       1 118 SER QB 211 no 100.0   0.0  0.000  0.000 0.000  1  0 no 0.000 0 0 
       1 120 ILE QG  51 no  95.0  99.7  1.219  1.222 0.003  9  2 no 0.135 0 0 
       1 121 LEU QB 197 no  70.0 100.0  0.236  0.236 0.000  2  1 no 0.000 0 0 
       1 121 LEU QD  46 no 100.0  99.8  2.278  2.283 0.005 10  4 no 0.137 0 0 
       1 122 LYS QB 145 no 100.0   0.0  0.000  0.000 0.000  3  0 no 0.000 0 0 
       1 122 LYS QE 210 no   5.0 100.0  0.025  0.025 0.000  1  0 no 0.001 0 0 
       1 122 LYS QG 138 no  40.0 100.0  0.438  0.438 0.000  4  2 no 0.048 0 0 
       1 123 MET QB 110 no 100.0 100.0  0.591  0.591 0.000  5  1 no 0.000 0 0 
       1 123 MET QG  24 no 100.0  99.0  0.288  0.290 0.003 12  2 no 0.079 0 0 
       1 124 ILE QG 176 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 125 LEU QB  55 no  20.0  99.8  0.006  0.006 0.000  8  1 no 0.016 0 0 
       1 125 LEU QD  39 no  60.0 100.0  0.562  0.562 0.000 10  1 no 0.024 0 0 
       1 126 MET QB 129 no 100.0   0.0  0.000  0.000 0.000  4  1 no 0.000 0 0 
       1 126 MET QG  30 no 100.0   0.0  0.000  0.000 0.000 11  3 no 0.083 0 0 
       1 127 TYR QB  54 no  80.0  99.8  0.502  0.503 0.001  8  0 no 0.096 0 0 
       1 128 GLU QB 175 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 128 GLU QG 209 no  15.0  99.2  0.007  0.007 0.000  1  0 no 0.034 0 0 
       1 130 LYS QB 174 no  55.0  99.0  0.083  0.084 0.001  2  0 no 0.091 0 0 
       1 132 ARG QB 173 no  10.0 100.0  0.001  0.001 0.000  2  0 no 0.000 0 0 
       1 133 GLU QB 144 no  75.0  99.5  0.363  0.365 0.002  3  0 no 0.103 0 0 
       1 133 GLU QG 172 no  45.0  96.8  0.235  0.242 0.008  2  0 no 0.216 0 0 
       1 134 LYS QB 208 no 100.0   0.0  0.000  0.000 0.000  1  0 no 0.000 0 0 
       1 135 GLU QB 171 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 135 GLU QG 170 no  20.0  92.6  0.039  0.042 0.003  2  0 no 0.167 0 0 
       1 136 LYS QB 207 no   5.0 100.0  0.000  0.000 0.000  1  0 no 0.000 0 0 
       1 136 LYS QE 169 no  35.0  83.9  0.058  0.069 0.011  2  0 no 0.238 0 0 
       1 137 PRO QB  85 no 100.0   0.0  0.000  0.000 0.000  7  3 no 0.000 0 0 
       1 137 PRO QD 103 no   5.0  96.3  0.000  0.000 0.000  6  4 no 0.012 0 0 
       1 137 PRO QG 196 no 100.0   0.0  0.000  0.000 0.000  2  1 no 0.000 0 0 
       1 141 PRO QB 168 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 141 PRO QD 224 no 100.0   0.0  0.000  0.000 0.000  1  1 no 0.000 0 0 
       1 141 PRO QG 195 no 100.0   0.0  0.000  0.000 0.000  2  1 no 0.000 0 0 
       1 143 LYS QB 206 no 100.0   0.0  0.000  0.000 0.000  1  0 no 0.000 0 0 
       1 143 LYS QG 167 no 100.0 100.0  0.000  0.000 0.000  2  0 no 0.053 0 0 
       1 144 LYS QE 223 no 100.0 100.0  0.000  0.000 0.000  1  1 no 0.024 0 0 
       1 144 LYS QG 222 no 100.0 100.0  0.000  0.000 0.000  1  1 no 0.024 0 0 
       1 146 ILE QG 166 no   5.0 100.0  0.004  0.004 0.000  2  0 no 0.000 0 0 
    stop_

save_



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