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
527173 2l6j 17312 cing 4-filtered-FRED Wattos check stereo assignment distance


data_2l6j


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        176
    _Stereo_assign_list.Swap_count           2
    _Stereo_assign_list.Swap_percentage      1.1
    _Stereo_assign_list.Deassign_count       4
    _Stereo_assign_list.Deassign_percentage  2.3
    _Stereo_assign_list.Model_count          20
    _Stereo_assign_list.Total_e_low_states   47.145
    _Stereo_assign_list.Total_e_high_states  208.401
    _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 SER QB 173 no  100.0   0.0  0.000  0.000  0.000  1  0 no  0.000  0  0 
       1   3 GLN QB 161 no    5.0 100.0  0.000  0.000  0.000  2  1 no  0.000  0  0 
       1   3 GLN QE 176 no  100.0   0.0  0.000  0.000  0.000  1  1 no  0.000  0  0 
       1   4 PHE QB  64 no  100.0  99.7  2.553  2.562  0.009 11  7 no  0.165  0  0 
       1   4 PHE QD 148 yes  95.0  99.3  3.277  3.300  0.023  3  0 no  0.539  0  1 
       1   5 GLU QB 147 no   90.0   4.1  0.000  0.003  0.003  3  0 no  0.098  0  0 
       1   5 GLU QG 124 no    5.0  32.0  0.001  0.003  0.002  5  0 no  0.186  0  0 
       1   6 LYS QB 156 no  100.0   0.0  0.000  0.000  0.000  2  0 no  0.000  0  0 
       1   6 LYS QG 123 no   70.0  92.2  0.101  0.109  0.008  5  0 no  0.177  0  0 
       1   7 GLN QB 114 no   10.0  91.0  0.133  0.146  0.013  6  3 no  0.165  0  0 
       1   7 GLN QE  42 no  100.0  99.8  0.870  0.871  0.001 13  8 no  0.075  0  0 
       1   7 GLN QG 101 no   20.0  99.1  0.308  0.311  0.003  7  5 no  0.122  0  0 
       1   8 LYS QB  36 no  100.0  98.4  0.481  0.488  0.008 14  8 no  0.208  0  0 
       1   8 LYS QD 175 no  100.0   0.0  0.000  0.000  0.000  1  1 no  0.000  0  0 
       1   8 LYS QE  17 no   95.0  99.5  2.395  2.407  0.012 20 10 no  0.208  0  0 
       1   8 LYS QG  54 no  100.0  99.8  1.097  1.100  0.002 12  6 no  0.122  0  0 
       1   9 GLU QB 146 no  100.0 100.0  0.231  0.231  0.000  3  0 no  0.024  0  0 
       1   9 GLU QG  60 no   45.0  99.3  1.090  1.098  0.008 11  4 no  0.208  0  0 
       1  10 GLN QB 122 no  100.0 100.0  0.039  0.039  0.000  5  0 no  0.000  0  0 
       1  10 GLN QE 128 no   50.0  99.0  0.299  0.302  0.003  5  3 no  0.103  0  0 
       1  10 GLN QG  97 no   15.0  91.2  0.010  0.010  0.001  7  2 no  0.101  0  0 
       1  11 GLY QA  15 no  100.0 100.0  1.528  1.528  0.000 20  9 no  0.046  0  0 
       1  12 ASN QB  71 no   45.0  99.9  0.191  0.191  0.000 10  3 no  0.044  0  0 
       1  13 SER QB 121 no  100.0 100.0  0.531  0.531  0.000  5  0 no  0.036  0  0 
       1  14 LEU QB  80 no  100.0   0.0  0.000  0.000  0.000  9  3 no  0.000  0  0 
       1  14 LEU QD  16 no  100.0 100.0  1.438  1.438  0.000 20 10 no  0.000  0  0 
       1  15 PHE QB  12 no  100.0  52.6  5.339 10.155  4.816 22  4 yes 5.364  9 10 
       1  16 LYS QB 112 no  100.0  97.9  0.428  0.438  0.009  6  2 no  0.270  0  0 
       1  16 LYS QD  96 no   80.0  57.5  0.006  0.011  0.005  7  2 no  0.270  0  0 
       1  16 LYS QE  59 no   40.0   4.2  0.193  4.587  4.394 11  4 yes 4.934  9 13 
       1  16 LYS QG 107 no  100.0   0.0  0.000  0.000  0.000  6  1 no  0.000  0  0 
       1  17 GLN QB  63 no  100.0  99.5  0.191  0.192  0.001 11  6 no  0.069  0  0 
       1  17 GLN QE  40 no   30.0  26.6  0.007  0.026  0.019 13  5 no  0.217  0  0 
       1  17 GLN QG 172 no   50.0 100.0  0.018  0.018  0.000  1  0 no  0.000  0  0 
       1  18 GLY QA  88 no  100.0  43.0  0.797  1.855  1.058  8  4 no  0.069  0  0 
       1  19 LEU QB  62 no  100.0 100.0  1.056  1.056  0.000 11  5 no  0.022  0  0 
       1  19 LEU QD  29 no  100.0 100.0  2.751  2.751  0.000 15  8 no  0.022  0  0 
       1  20 TYR QB  13 no  100.0  99.9  1.972  1.973  0.001 22  6 no  0.080  0  0 
       1  20 TYR QE  95 yes 100.0 100.0 21.231 21.231  0.000  7  2 no  0.005  0  0 
       1  21 ARG QB  77 no  100.0  99.9  0.572  0.573  0.000  9  1 no  0.080  0  0 
       1  22 GLU QB  94 no  100.0  99.8  0.424  0.424  0.001  7  2 no  0.049  0  0 
       1  22 GLU QG 113 no   45.0  99.1  0.247  0.250  0.002  6  3 no  0.101  0  0 
       1  24 VAL QG   2 no  100.0  78.9  0.001  0.002  0.000 27  6 no  0.112  0  0 
       1  25 HIS QB  46 no  100.0  98.2  0.314  0.320  0.006 12  3 no  0.160  0  0 
       1  26 CYS QB  49 no   75.0  99.4  0.649  0.653  0.004 12  4 no  0.103  0  0 
       1  27 TYR QB  27 no   35.0  99.4  0.138  0.139  0.001 15  5 no  0.067  0  0 
       1  28 ASP QB  38 no   60.0  98.6  0.017  0.017  0.000 13  3 no  0.052  0  0 
       1  29 GLN QB  41 no   80.0  97.7  0.008  0.009  0.000 13  6 no  0.057  0  0 
       1  29 GLN QE  25 no   65.0  99.9  0.419  0.419  0.000 16  6 no  0.049  0  0 
       1  30 LEU QB  22 no   85.0  98.1  0.422  0.430  0.008 18  9 no  0.188  0  0 
       1  30 LEU QD   1 no  100.0 100.0  2.751  2.752  0.001 64 30 no  0.075  0  0 
       1  31 ILE QG  21 no   45.0  95.7  0.172  0.180  0.008 18  5 no  0.123  0  0 
       1  34 GLN QB  99 no   15.0  78.2  0.006  0.007  0.002  7  3 no  0.106  0  0 
       1  34 GLN QE  31 no   60.0  95.0  0.204  0.214  0.011 15 11 no  0.188  0  0 
       1  34 GLN QG 136 no  100.0 100.0  0.000  0.000  0.000  4  1 no  0.082  0  0 
       1  35 PRO QB 145 no  100.0 100.0  0.011  0.011  0.000  3  0 no  0.155  0  0 
       1  35 PRO QD  67 no  100.0 100.0  0.816  0.816  0.000 10  0 no  0.000  0  0 
       1  36 GLN QB 111 no   45.0 100.0  0.014  0.014  0.000  6  2 no  0.000  0  0 
       1  36 GLN QE 110 no   75.0  98.7  0.254  0.258  0.003  6  2 no  0.133  0  0 
       1  37 ASN QB  50 no   20.0  92.8  0.117  0.126  0.009 12  5 no  0.195  0  0 
       1  37 ASN QD  34 no  100.0  99.5  2.707  2.721  0.014 14  7 no  0.158  0  0 
       1  38 PRO QB  53 no   50.0  79.8  0.038  0.048  0.010 12  6 no  0.179  0  0 
       1  38 PRO QD  24 no  100.0 100.0  1.533  1.534  0.001 16  6 no  0.080  0  0 
       1  38 PRO QG  32 no  100.0 100.0  1.161  1.161  0.000 14  5 no  0.061  0  0 
       1  39 VAL QG   4 no  100.0  99.9  0.948  0.948  0.001 27 16 no  0.080  0  0 
       1  40 GLY QA   3 no  100.0  99.6  0.785  0.787  0.003 27 16 no  0.107  0  0 
       1  41 TYR QB  48 no  100.0 100.0  2.872  2.873  0.001 12  4 no  0.064  0  0 
       1  42 SER QB 127 no    5.0  99.9  0.003  0.003  0.000  5  3 no  0.008  0  0 
       1  43 ASN QB 139 no  100.0 100.0  0.002  0.002  0.000  4  2 no  0.107  0  0 
       1  44 LYS QB  84 no  100.0 100.0  0.001  0.001  0.000  8  2 no  0.078  0  0 
       1  44 LYS QD 171 no  100.0   0.0  0.000  0.000  0.000  1  0 no  0.000  0  0 
       1  44 LYS QE 138 no   25.0  99.7  0.184  0.184  0.001  4  2 no  0.055  0  0 
       1  44 LYS QG 170 no  100.0   0.0  0.000  0.000  0.000  1  0 no  0.000  0  0 
       1  46 MET QB  76 no   95.0  74.5  0.007  0.009  0.002  9  1 no  0.160  0  0 
       1  46 MET QG 160 no   90.0  99.6  0.638  0.641  0.003  2  1 no  0.125  0  0 
       1  48 LEU QB 102 no  100.0   0.0  0.000  0.000  0.000  6  0 no  0.000  0  0 
       1  48 LEU QD  10 no  100.0 100.0  5.783  5.783  0.001 24 11 no  0.055  0  0 
       1  49 ILE QG  45 no   75.0  98.7  0.145  0.147  0.002 12  3 no  0.106  0  0 
       1  50 LYS QB   9 no  100.0  99.8  6.867  6.882  0.015 24  8 no  0.160  0  0 
       1  50 LYS QE  39 no  100.0  99.7  0.613  0.614  0.002 13  5 no  0.085  0  0 
       1  50 LYS QG 120 no   65.0  99.9  0.334  0.335  0.000  5  0 no  0.044  0  0 
       1  51 LEU QB  47 no  100.0 100.0  0.001  0.001  0.000 12  4 no  0.115  0  0 
       1  51 LEU QD   6 no  100.0 100.0  6.915  6.916  0.000 26  9 no  0.037  0  0 
       1  52 GLY QA 135 no   20.0  54.8  0.005  0.008  0.004  4  1 no  0.099  0  0 
       1  53 GLU QB  72 no  100.0  99.1  3.009  3.037  0.028 10  4 no  0.244  0  0 
       1  53 GLU QG  89 no   55.0  99.9  0.136  0.136  0.000  8  5 no  0.036  0  0 
       1  54 TYR QB   5 no  100.0  99.8  1.495  1.499  0.003 26  4 no  0.093  0  0 
       1  56 GLN QB  61 no  100.0 100.0  2.443  2.443  0.000 11  5 no  0.062  0  0 
       1  56 GLN QE  35 no  100.0  98.4  1.742  1.770  0.028 14  8 no  0.244  0  0 
       1  56 GLN QG  26 no   95.0  99.6  1.892  1.899  0.007 15  4 no  0.149  0  0 
       1  58 ILE QG  75 no  100.0 100.0  2.172  2.173  0.000  9  1 no  0.040  0  0 
       1  59 GLN QB 106 no  100.0 100.0  0.014  0.014  0.000  6  1 no  0.132  0  0 
       1  59 GLN QE  69 no   20.0  93.0  0.007  0.008  0.001 10  2 no  0.071  0  0 
       1  59 GLN QG 149 no  100.0 100.0  1.724  1.724  0.000  3  1 no  0.034  0  0 
       1  60 MET QB  91 no  100.0  99.9  0.944  0.944  0.001  7  1 no  0.071  0  0 
       1  60 MET QG 109 no   90.0  99.8  0.633  0.634  0.001  6  2 no  0.090  0  0 
       1  61 CYS QB   7 no  100.0  98.8  0.808  0.819  0.010 25 10 no  0.198  0  0 
       1  62 GLN QB 144 no  100.0   0.0  0.000  0.000  0.000  3  0 no  0.000  0  0 
       1  62 GLN QE 116 no   65.0 100.0  0.248  0.248  0.000  6  4 no  0.016  0  0 
       1  62 GLN QG 100 no    5.0 100.0  0.001  0.001  0.000  7  5 no  0.000  0  0 
       1  63 GLN QB  86 no   55.0 100.0  0.002  0.002  0.000  8  3 no  0.000  0  0 
       1  63 GLN QE  37 no  100.0  93.8  0.140  0.149  0.009 13  3 no  0.140  0  0 
       1  63 GLN QG  87 no  100.0 100.0  1.397  1.397  0.000  8  4 no  0.048  0  0 
       1  64 GLY QA  11 no   70.0  32.0  0.006  0.019  0.013 23 12 no  0.195  0  0 
       1  65 LEU QB  70 no  100.0 100.0  1.084  1.084  0.000 10  3 no  0.027  0  0 
       1  65 LEU QD  18 no  100.0 100.0  2.895  2.895  0.000 20 12 no  0.005  0  0 
       1  66 ARG QB  43 no   85.0 100.0  0.045  0.045  0.000 12  2 no  0.013  0  0 
       1  66 ARG QD  98 no   70.0 100.0  0.644  0.644  0.000  7  3 no  0.018  0  0 
       1  66 ARG QG  74 no  100.0 100.0  1.336  1.336  0.000  9  1 no  0.048  0  0 
       1  67 TYR QB  58 no   90.0  98.5  0.345  0.350  0.005 11  3 no  0.195  0  0 
       1  69 SER QB 143 no   35.0  99.7  0.028  0.028  0.000  3  0 no  0.032  0  0 
       1  72 GLU QB 119 no   50.0  98.0  0.170  0.174  0.003  5  0 no  0.145  0  0 
       1  72 GLU QG  83 no   55.0  99.9  0.144  0.145  0.000  8  1 no  0.043  0  0 
       1  73 HIS QB  19 no   95.0  99.9  0.636  0.637  0.000 19  4 no  0.071  0  0 
       1  74 VAL QG  56 no  100.0 100.0  0.594  0.594  0.000 11  1 no  0.000  0  0 
       1  76 ILE QG  78 no   85.0  99.9  2.385  2.387  0.003  9  2 no  0.092  0  0 
       1  77 ARG QB  66 no  100.0 100.0  0.003  0.003  0.000 10  0 no  0.159  0  0 
       1  77 ARG QD 159 no   70.0 100.0  0.097  0.097  0.000  2  1 no  0.014  0  0 
       1  77 ARG QG  93 no    5.0 100.0  0.028  0.028  0.000  7  2 no  0.000  0  0 
       1  78 SER QB 118 no   30.0  92.4  0.040  0.043  0.003  5  0 no  0.094  0  0 
       1  79 LYS QB  57 no  100.0   0.0  0.000  0.000  0.000 11  2 no  0.000  0  0 
       1  79 LYS QD 105 no  100.0  99.7  1.907  1.913  0.005  6  1 no  0.174  0  0 
       1  79 LYS QE  44 no   60.0  98.5  0.166  0.168  0.003 12  3 no  0.089  0  0 
       1  79 LYS QG 150 no  100.0 100.0  0.000  0.000  0.000  3  2 no  0.037  0  0 
       1  80 LEU QB  52 no  100.0  99.4  1.424  1.432  0.008 12  6 no  0.155  0  0 
       1  80 LEU QD   8 no   85.0  99.7  0.481  0.482  0.001 25 14 no  0.088  0  0 
       1  81 GLN QB  68 no  100.0 100.0  0.045  0.045  0.000 10  2 no  0.010  0  0 
       1  81 GLN QE  51 no  100.0  99.1  1.444  1.457  0.013 12  6 no  0.225  0  0 
       1  81 GLN QG 126 no   65.0 100.0  0.393  0.394  0.000  5  2 no  0.028  0  0 
       1  82 TYR QB 108 no  100.0  99.9  1.836  1.837  0.001  6  2 no  0.106  0  0 
       1  83 ARG QB 155 no  100.0   0.0  0.000  0.000  0.000  2  0 no  0.000  0  0 
       1  83 ARG QD 130 no   25.0  98.1  0.356  0.363  0.007  4  0 no  0.220  0  0 
       1  83 ARG QG 134 no   60.0  97.9  0.477  0.487  0.010  4  1 no  0.198  0  0 
       1  84 LEU QB  82 no  100.0 100.0  0.004  0.004  0.000  9  4 no  0.091  0  0 
       1  84 LEU QD  20 no   95.0  95.4  0.006  0.006  0.000 19 10 no  0.182  0  0 
       1  85 GLU QB 104 no  100.0  96.7  0.001  0.001  0.000  6  1 no  0.073  0  0 
       1  85 GLU QG 154 no   25.0  72.1  0.037  0.051  0.014  2  0 no  0.266  0  0 
       1  86 LEU QB  65 no  100.0 100.0  0.000  0.000  0.000 10  0 no  0.064  0  0 
       1  86 LEU QD 153 no  100.0   0.0  0.000  0.000  0.000  2  0 no  0.000  0  0 
       1  88 GLN QB  92 no   25.0 100.0  0.001  0.001  0.000  7  2 no  0.000  0  0 
       1  88 GLN QE  81 no  100.0  99.7  2.936  2.944  0.008  9  4 no  0.191  0  0 
       1  88 GLN QG  79 no   95.0  90.1  0.099  0.110  0.011  9  3 no  0.240  0  0 
       1  89 GLY QA  90 no  100.0  99.7  0.857  0.860  0.003  7  1 no  0.148  0  0 
       1  91 VAL QG  23 no  100.0 100.0  1.423  1.423  0.000 17  5 no  0.000  0  0 
       1  92 GLY QA 158 no   15.0 100.0  0.003  0.003  0.000  2  1 no  0.000  0  0 
       1  94 VAL QG 117 no  100.0   0.0  0.000  0.000  0.000  5  0 no  0.000  0  0 
       1  95 GLN QB 157 no  100.0   0.0  0.000  0.000  0.000  2  1 no  0.000  0  0 
       1  95 GLN QE 115 no   65.0  98.8  0.330  0.334  0.004  6  4 no  0.137  0  0 
       1  95 GLN QG 133 no   10.0 100.0  0.014  0.014  0.000  4  1 no  0.000  0  0 
       1  96 ILE QG  85 no   15.0  84.2  0.016  0.019  0.003  8  3 no  0.128  0  0 
       1  97 PRO QB 142 no   95.0 100.0  0.039  0.039  0.000  3  0 no  0.000  0  0 
       1  97 PRO QD  33 no   45.0  97.8  0.432  0.441  0.010 14  7 no  0.137  0  0 
       1  97 PRO QG 169 no  100.0 100.0  0.840  0.840  0.000  1  0 no  0.023  0  0 
       1  98 VAL QG 141 no   90.0 100.0  0.600  0.600  0.000  3  0 no  0.000  0  0 
       1  99 VAL QG 168 no   30.0  95.4  0.027  0.028  0.001  1  0 no  0.160  0  0 
       1 100 GLU QB 132 no   60.0  98.4  0.046  0.047  0.001  4  1 no  0.081  0  0 
       1 100 GLU QG 103 no   70.0  97.7  0.089  0.091  0.002  6  1 no  0.147  0  0 
       1 101 VAL QG 152 no  100.0   0.0  0.000  0.000  0.000  2  0 no  0.000  0  0 
       1 102 ASP QB 129 no  100.0   0.0  0.000  0.000  0.000  4  0 no  0.000  0  0 
       1 103 GLU QG 167 no   95.0   9.9  0.000  0.000  0.000  1  0 no  0.042  0  0 
       1 104 LEU QB  30 no   90.0  96.9  0.278  0.287  0.009 15  9 no  0.187  0  0 
       1 104 LEU QD  14 no   80.0  99.8  1.063  1.065  0.003 20  9 no  0.111  0  0 
       1 105 PRO QB 166 no   20.0 100.0  0.011  0.011  0.000  1  0 no  0.000  0  0 
       1 105 PRO QD  28 no   55.0  94.8  0.116  0.122  0.006 15  7 no  0.152  0  0 
       1 105 PRO QG 137 no    5.0  99.2  0.001  0.001  0.000  4  2 no  0.015  0  0 
       1 106 GLU QB 165 no  100.0   0.0  0.000  0.000  0.000  1  0 no  0.000  0  0 
       1 107 GLY QA 125 no   95.0  78.8  0.000  0.001  0.000  5  1 no  0.100  0  0 
       1 108 TYR QB  55 no  100.0 100.0  0.537  0.537  0.000 12  7 no  0.024  0  0 
       1 109 ASP QB 131 no   80.0  99.6  0.845  0.849  0.003  4  1 no  0.118  0  0 
       1 110 ARG QB 151 no  100.0   0.0  0.000  0.000  0.000  2  0 no  0.000  0  0 
       1 110 ARG QD 164 no  100.0   0.0  0.000  0.000  0.000  1  0 no  0.000  0  0 
       1 110 ARG QG 163 no  100.0   0.0  0.000  0.000  0.000  1  0 no  0.000  0  0 
       1 111 SER QB 162 no  100.0   0.0  0.000  0.000  0.000  1  0 no  0.000  0  0 
       2   3 GLU QG 174 no   85.0  29.9  0.057  0.192  0.134  1  1 no  0.259  0  0 
       2   4 VAL QG  73 no   90.0  38.2 22.222 58.215 35.993 10  6 yes 8.747 51 61 
       2   5 ASP QB 140 no   80.0  76.6  0.849  1.107  0.259  4  3 yes 1.098  1  3 
    stop_

save_



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