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
546342 2luo 18533 cing 4-filtered-FRED Wattos check stereo assignment distance


data_2luo


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        179
    _Stereo_assign_list.Swap_count           0
    _Stereo_assign_list.Swap_percentage      0.0
    _Stereo_assign_list.Deassign_count       4
    _Stereo_assign_list.Deassign_percentage  2.2
    _Stereo_assign_list.Model_count          20
    _Stereo_assign_list.Total_e_low_states   4.099
    _Stereo_assign_list.Total_e_high_states  489.410
    _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 MET QB 179 no 100.0   0.0  0.000  0.000 0.000  2  0 no  0.060  0  0 
       1   2 MET QG 178 no 100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1   4 ASP QB 114 no 100.0  97.9  0.935  0.955 0.020 12  8 no  0.194  0  0 
       1   5 PRO QB  72 no 100.0  99.8  3.819  3.827 0.007 18  8 no  0.134  0  0 
       1   5 PRO QD 134 no 100.0  97.3  0.545  0.560 0.015  9  6 no  0.141  0  0 
       1   5 PRO QG  88 no 100.0  99.4  3.231  3.250 0.019 16 11 no  0.194  0  0 
       1   6 LEU QB  26 no 100.0  99.6  2.895  2.905 0.010 24 10 no  0.181  0  0 
       1   6 LEU QD 128 no 100.0   0.0  0.000  0.003 0.003 10  4 no  0.093  0  0 
       1   7 HIS QB  39 no 100.0  99.4  3.085  3.104 0.019 21  4 no  0.161  0  0 
       1   8 VAL QG  35 no 100.0   0.0  0.000  0.020 0.020 22  6 no  0.191  0  0 
       1  10 PHE QB  21 no 100.0 100.0  2.595  2.596 0.001 24  3 no  0.059  0  0 
       1  11 VAL QG  24 no  95.0   0.0  0.000  0.014 0.014 24  6 no  0.173  0  0 
       1  12 CYS QB 151 no 100.0   0.0  0.000  0.006 0.006  6  2 no  0.210  0  0 
       1  14 GLY QA 177 no 100.0   0.0  0.000  0.007 0.007  2  0 no  0.268  0  0 
       1  15 ASN QB 111 no 100.0   0.0  0.000  0.003 0.003 12  2 no  0.093  0  0 
       1  16 ILE QG 110 no 100.0  99.2  0.980  0.988 0.008 12  2 no  0.130  0  0 
       1  17 CYS QB 176 no   0.0   0.0  0.000  0.001 0.001  2  0 no  0.065  0  0 
       1  20 PRO QB  34 no 100.0  99.7  2.689  2.697 0.008 22  6 no  0.176  0  0 
       1  20 PRO QD  43 no 100.0  98.5  1.612  1.636 0.024 20  0 no  0.268  0  0 
       1  20 PRO QG  10 no 100.0  99.8 11.327 11.350 0.023 29  1 no  0.205  0  0 
       1  21 MET QB  96 no 100.0  98.8  1.801  1.823 0.022 14  1 no  0.205  0  0 
       1  21 MET QG 150 no 100.0   0.0  0.000  0.000 0.000  6  0 no  0.076  0  0 
       1  23 GLU QB  81 no 100.0  99.9  3.352  3.354 0.002 17  6 no  0.128  0  0 
       1  24 LYS QB 129 no 100.0  99.7  0.476  0.478 0.002 10  5 no  0.067  0  0 
       1  24 LYS QD  91 no 100.0  97.9  0.854  0.872 0.018 15  3 no  0.246  0  0 
       1  24 LYS QE 115 no 100.0   0.0  0.000  0.006 0.006 12 10 no  0.128  0  0 
       1  24 LYS QG  38 no 100.0  99.4  2.830  2.848 0.018 21  4 no  0.163  0  0 
       1  25 MET QG 175 no 100.0   0.0  0.000  0.003 0.003  2  0 no  0.100  0  0 
       1  26 PHE QB  33 no 100.0  99.8  9.245  9.266 0.021 22  5 no  0.171  0  0 
       1  28 GLN QE 139 no 100.0  98.6  2.289  2.321 0.033  8  3 no  0.233  0  0 
       1  28 GLN QG  25 no 100.0  99.9  5.101  5.104 0.003 24  8 no  0.081  0  0 
       1  29 GLN QB 125 no 100.0 100.0  1.833  1.833 0.000 10  1 no  0.023  0  0 
       1  29 GLN QE 119 no 100.0  99.7  0.950  0.953 0.003 11  8 no  0.122  0  0 
       1  29 GLN QG  60 no 100.0  99.9  4.717  4.720 0.004 19  5 no  0.081  0  0 
       1  30 LEU QB  90 no 100.0 100.0  1.880  1.880 0.000 15  2 no  0.020  0  0 
       1  31 ARG QB  95 no 100.0  99.9  1.757  1.758 0.002 14  0 no  0.097  0  0 
       1  31 ARG QD 166 no   0.0   0.0  0.000  0.001 0.001  4  0 no  0.081  0  0 
       1  31 ARG QG  83 no 100.0  99.8  0.969  0.971 0.002 16  0 no  0.110  0  0 
       1  33 ARG QD  44 no 100.0  98.2  1.326  1.350 0.024 20  2 no  0.222  0  0 
       1  34 GLY QA  73 no 100.0  99.6  1.680  1.686 0.006 17  0 no  0.119  0  0 
       1  35 LEU QB  32 no 100.0 100.0  7.669  7.670 0.001 23  8 no  0.069  0  0 
       1  35 LEU QD 154 no 100.0   0.0  0.000  0.000 0.000  6  4 no  0.035  0  0 
       1  37 ASP QB 124 no   0.0   0.0  0.000  0.021 0.021 10  0 no  0.304  0  0 
       1  39 VAL QG 123 no 100.0   0.0  0.000  0.011 0.011 10  0 no  0.170  0  0 
       1  40 ARG QB  61 no 100.0  99.7  6.907  6.924 0.017 19  7 no  0.227  0  0 
       1  40 ARG QD  54 no 100.0  99.2  1.935  1.951 0.016 20 13 no  0.177  0  0 
       1  40 ARG QG  53 no 100.0  99.8  7.951  7.967 0.016 20 12 no  0.181  0  0 
       1  41 VAL QG  63 no   0.0   0.0  0.000  0.006 0.006 18  0 no  0.146  0  0 
       1  43 SER QB  40 no 100.0  99.9  1.688  1.690 0.002 21  5 no  0.079  0  0 
       1  45 GLY QA   8 no 100.0 100.0  4.994  4.994 0.000 30  4 no  0.045  0  0 
       1  47 GLY QA 142 no 100.0 100.0  0.577  0.577 0.000  7  0 no  0.008  0  0 
       1  48 ASN QB 107 no 100.0 100.0  2.259  2.259 0.000 13  6 no  0.021  0  0 
       1  48 ASN QD 174 no 100.0   0.0  0.000  0.000 0.000  2  0 no  0.007  0  0 
       1  50 HIS QB  48 no 100.0  99.9  2.560  2.562 0.002 20  6 no  0.085  0  0 
       1  52 GLY QA 105 no 100.0  99.8  5.517  5.525 0.009 13  3 no  0.147  0  0 
       1  53 SER QB  12 no 100.0  99.9  8.115  8.127 0.011 28  7 no  0.127  0  0 
       1  54 CYS QB  89 no 100.0  99.4  1.829  1.840 0.011 15  2 no  0.127  0  0 
       1  56 ASP QB  82 no  95.0   0.0  0.000  0.010 0.010 16  0 no  0.160  0  0 
       1  57 GLU QB 149 no 100.0 100.0  1.379  1.379 0.000  6  0 no  0.031  0  0 
       1  58 ARG QD 165 no 100.0   0.0  0.000  0.001 0.001  4  0 no  0.092  0  0 
       1  61 GLY QA  59 no 100.0 100.0  6.867  6.868 0.001 19  5 no  0.090  0  0 
       1  62 VAL QG  37 no 100.0   0.0  0.000  0.934 0.934 22  8 yes 1.262 12 12 
       1  63 LEU QB  46 no 100.0 100.0  3.619  3.620 0.002 20  5 no  0.101  0  0 
       1  63 LEU QD 122 no 100.0   0.0  0.000  0.000 0.000 10  0 no  0.000  0  0 
       1  64 ARG QB 104 no 100.0 100.0  5.834  5.837 0.003 13  3 no  0.123  0  0 
       1  64 ARG QG  77 no 100.0  97.0  2.495  2.573 0.078 17  3 yes 1.195  1  1 
       1  66 HIS QB  84 no 100.0 100.0  2.944  2.944 0.000 16  1 no  0.047  0  0 
       1  67 GLY QA 133 no 100.0 100.0  1.562  1.562 0.000  9  1 no  0.000  0  0 
       1  68 TYR QB  16 no 100.0  99.9 10.968 10.975 0.008 27 10 no  0.130  0  0 
       1  69 PRO QB 121 no 100.0  99.8  2.521  2.527 0.006 10  0 no  0.103  0  0 
       1  69 PRO QD  50 no 100.0  99.8  3.248  3.254 0.006 20  7 no  0.091  0  0 
       1  69 PRO QG  94 no 100.0  99.9  4.148  4.151 0.003 15  5 no  0.081  0  0 
       1  73 ARG QB 164 no 100.0   0.0  0.000  0.003 0.003  4  0 no  0.093  0  0 
       1  73 ARG QD 173 no   0.0   0.0  0.000  0.006 0.006  2  0 no  0.223  0  0 
       1  73 ARG QG 169 no 100.0   0.0  0.000  0.006 0.006  4  2 no  0.147  0  0 
       1  76 GLN QB  92 no 100.0  99.5  1.398  1.404 0.006 15  4 no  0.091  0  0 
       1  76 GLN QE 141 no 100.0 100.0  2.939  2.940 0.001  8  4 no  0.088  0  0 
       1  76 GLN QG 100 no   0.0   0.0  0.000  0.006 0.006 14  6 no  0.134  0  0 
       1  77 VAL QG  71 no  90.0   0.0  0.000  0.050 0.050 18  8 no  0.207  0  0 
       1  78 GLY QA  56 no 100.0  99.8  4.063  4.072 0.009 19  3 no  0.144  0  0 
       1  80 GLU QB 132 no 100.0  99.9  1.822  1.823 0.001  9  0 no  0.073  0  0 
       1  80 GLU QG 148 no 100.0   0.0  0.000  0.015 0.015  6  0 no  0.224  0  0 
       1  81 HIS QB   7 no 100.0  93.4  5.630  6.028 0.398 31  3 yes 1.078  2  7 
       1  82 LEU QB  58 no 100.0  99.4  3.415  3.435 0.020 19  5 no  0.241  0  0 
       1  82 LEU QD  52 no 100.0   0.0  0.000  0.000 0.000 20 10 no  0.028  0  0 
       1  85 ASP QB  13 no 100.0  99.5  6.858  6.890 0.031 28  8 no  0.271  0  0 
       1  86 LEU QB  45 no 100.0 100.0  0.808  0.808 0.000 20  5 no  0.000  0  0 
       1  86 LEU QD   5 no 100.0   0.0  0.000  0.114 0.114 32  8 no  0.291  0  0 
       1  87 LEU QB 102 no 100.0   0.0  0.000  0.000 0.000 14  8 no  0.000  0  0 
       1  87 LEU QD 101 no  95.0   0.0  0.000  0.140 0.140 14  8 no  0.388  0  0 
       1  88 VAL QG  65 no 100.0   0.0  0.000  0.000 0.000 18  2 no  0.010  0  0 
       1  90 LEU QB  64 no 100.0  99.9  4.466  4.472 0.006 18  2 no  0.136  0  0 
       1  91 ASP QB 163 no   0.0   0.0  0.000  0.001 0.001  4  0 no  0.072  0  0 
       1  92 ARG QG 138 no 100.0  99.9  2.170  2.173 0.003  8  1 no  0.116  0  0 
       1  93 ASN QB  68 no 100.0  98.9  1.096  1.108 0.012 18  3 no  0.277  0  0 
       1  93 ASN QD 167 no  95.0  96.2  0.212  0.220 0.008  4  1 no  0.277  0  0 
       1  94 HIS QB   2 no 100.0  99.8  7.851  7.870 0.019 37  5 no  0.173  0  0 
       1  96 ARG QB 131 no 100.0 100.0  1.542  1.542 0.000  9  0 no  0.046  0  0 
       1  96 ARG QG  57 no 100.0  99.3  1.674  1.686 0.012 19  5 no  0.170  0  0 
       1  97 LEU QB  18 no 100.0 100.0  4.046  4.046 0.000 25  7 no  0.041  0  0 
       1  97 LEU QD 130 no 100.0   0.0  0.000  0.000 0.000 10  6 no  0.003  0  0 
       1  98 LEU QB  67 no 100.0 100.0  6.453  6.454 0.001 18  3 no  0.061  0  0 
       1  98 LEU QD 113 no 100.0   0.0  0.000  0.000 0.000 12  6 no  0.030  0  0 
       1  99 ARG QB 103 no 100.0  99.7  1.221  1.225 0.003 13  3 no  0.093  0  0 
       1  99 ARG QD  47 no 100.0  99.7  7.069  7.087 0.019 20  6 no  0.189  0  0 
       1  99 ARG QG  80 no 100.0  99.9  4.182  4.185 0.003 17  6 no  0.131  0  0 
       1 100 GLN QB  99 no 100.0  99.4  4.627  4.655 0.028 14  4 no  0.203  0  0 
       1 100 GLN QG  15 no 100.0  99.7  6.552  6.570 0.018 27  9 no  0.170  0  0 
       1 101 LEU QB  17 no 100.0  97.5  1.314  1.347 0.033 26 12 no  0.234  0  0 
       1 101 LEU QD 171 no 100.0   0.0  0.000  0.000 0.000  4  4 no  0.000  0  0 
       1 102 GLY QA  87 no 100.0  99.5  2.155  2.166 0.011 16  7 no  0.191  0  0 
       1 103 VAL QG 108 no 100.0   0.0  0.000  0.594 0.594 12  0 yes 1.300  8  9 
       1 104 GLU QB  79 no 100.0  99.6  4.055  4.074 0.018 17  4 no  0.175  0  0 
       1 104 GLU QG  14 no 100.0  99.8  3.432  3.438 0.005 27  8 no  0.114  0  0 
       1 107 ARG QB  19 no 100.0  97.5  1.272  1.304 0.033 25  8 no  0.220  0  0 
       1 107 ARG QD  36 no 100.0  98.6  1.580  1.602 0.022 22  8 no  0.244  0  0 
       1 107 ARG QG  41 no 100.0  99.7  6.957  6.975 0.018 21  6 no  0.175  0  0 
       1 108 VAL QG  69 no 100.0   0.0  0.000  0.127 0.127 18  4 no  0.685  0  1 
       1 109 ARG QB  29 no 100.0  99.6  2.437  2.446 0.009 23  4 no  0.134  0  0 
       1 109 ARG QG  75 no 100.0  99.9  4.727  4.730 0.003 17  2 no  0.126  0  0 
       1 110 MET QB  78 no 100.0  99.9  1.848  1.850 0.002 17  4 no  0.133  0  0 
       1 110 MET QG  27 no 100.0  99.9  8.702  8.707 0.005 23  0 no  0.093  0  0 
       1 111 LEU QB  76 no 100.0  99.9  3.422  3.424 0.003 17  3 no  0.108  0  0 
       1 111 LEU QD  11 no 100.0   0.0  0.000  0.000 0.000 28  4 no  0.021  0  0 
       1 112 ARG QB 144 no 100.0  99.3  0.969  0.975 0.006  7  1 no  0.169  0  0 
       1 112 ARG QG 143 no 100.0  99.9  1.872  1.874 0.003  7  1 no  0.184  0  0 
       1 113 SER QB  70 no 100.0  99.9  4.902  4.909 0.007 18  5 no  0.096  0  0 
       1 114 PHE QB   9 no 100.0  99.9  8.419  8.425 0.007 30  8 no  0.177  0  0 
       1 115 ASP QB  28 no 100.0  99.8  7.709  7.722 0.013 23  4 no  0.180  0  0 
       1 116 PRO QB 156 no 100.0 100.0  2.141  2.141 0.000  5  0 no  0.066  0  0 
       1 116 PRO QD  86 no 100.0  99.4  0.993  0.999 0.006 16  6 no  0.145  0  0 
       1 116 PRO QG 137 no 100.0  99.9  3.077  3.079 0.002  8  0 no  0.101  0  0 
       1 117 ARG QB 162 no 100.0   0.0  0.000  0.000 0.000  4  0 no  0.000  0  0 
       1 118 SER QB 168 no 100.0   0.0  0.000  0.002 0.002  4  2 no  0.099  0  0 
       1 123 LEU QD 120 no   0.0   0.0  0.000  0.009 0.009 10  0 no  0.226  0  0 
       1 124 ASP QB 109 no 100.0  96.8  1.612  1.665 0.053 12  1 no  0.406  0  0 
       1 125 VAL QG 147 no 100.0   0.0  0.000  0.000 0.000  6  0 no  0.023  0  0 
       1 126 GLU QB 118 no 100.0  99.6  1.636  1.642 0.006 11  2 no  0.147  0  0 
       1 126 GLU QG 117 no 100.0  97.8  1.665  1.703 0.038 11  2 no  0.249  0  0 
       1 128 PRO QB 170 no   0.0   0.0  0.000  0.010 0.010  4  4 no  0.222  0  0 
       1 128 PRO QD 161 no   0.0   0.0  0.000  0.016 0.016  4  0 no  0.232  0  0 
       1 129 TYR QB 172 no 100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1 130 TYR QB 155 no 100.0  95.9  0.249  0.259 0.011  5  0 no  0.220  0  0 
       1 132 ASP QB 146 no 100.0   0.0  0.000  0.001 0.001  6  0 no  0.092  0  0 
       1 134 SER QB 160 no 100.0   0.0  0.000  0.000 0.000  4  0 no  0.044  0  0 
       1 135 ASP QB 112 no   0.0   0.0  0.000  0.025 0.025 12  4 no  0.425  0  0 
       1 136 PHE QB 145 no 100.0   0.0  0.000  0.004 0.004  6  0 no  0.214  0  0 
       1 137 GLU QG 127 no   0.0   0.0  0.000  0.007 0.007 10  4 no  0.234  0  0 
       1 139 VAL QG 136 no 100.0   0.0  0.000  0.001 0.001  8  0 no  0.062  0  0 
       1 140 PHE QB  22 no 100.0  99.6  5.124  5.144 0.020 24  4 no  0.253  0  0 
       1 142 VAL QG  97 no 100.0   0.0  0.000  0.015 0.015 14  2 no  0.204  0  0 
       1 143 ILE QG  74 no 100.0 100.0  4.731  4.731 0.000 17  2 no  0.048  0  0 
       1 144 GLU QB  66 no 100.0  99.9  2.880  2.882 0.002 18  3 no  0.080  0  0 
       1 144 GLU QG  55 no 100.0  99.9  8.445  8.455 0.010 19  2 no  0.157  0  0 
       1 147 LEU QB  20 no 100.0  99.8  7.661  7.672 0.012 25 13 no  0.127  0  0 
       1 147 LEU QD   1 no 100.0  99.8 21.696 21.735 0.040 56 15 no  0.211  0  0 
       1 148 PRO QB 152 no 100.0  99.7  2.297  2.305 0.008  6  3 no  0.145  0  0 
       1 148 PRO QD  49 no 100.0  99.6  5.729  5.749 0.020 20  7 no  0.147  0  0 
       1 148 PRO QG 116 no 100.0  99.0  2.223  2.246 0.023 11  2 no  0.174  0  0 
       1 149 GLY QA  62 no 100.0 100.0  8.321  8.321 0.000 19  9 no  0.011  0  0 
       1 150 LEU QB   4 no 100.0  96.3  3.490  3.624 0.134 34 10 no  0.389  0  0 
       1 150 LEU QD   6 no  20.0   0.0  0.000  0.056 0.056 32 12 no  0.237  0  0 
       1 151 HIS QB 159 no 100.0   0.0  0.000  0.019 0.019  4  0 no  0.440  0  0 
       1 152 ASP QB 106 no 100.0  99.6  2.737  2.747 0.010 13  5 no  0.161  0  0 
       1 153 TRP QB  23 no 100.0  99.8  5.072  5.080 0.008 24  6 no  0.161  0  0 
       1 154 VAL QG   3 no 100.0 100.0 23.632 23.640 0.008 37 11 no  0.126  0  0 
       1 155 ASP QB 126 no 100.0   0.0  0.000  0.005 0.005 10  2 no  0.238  0  0 
       1 156 GLU QB  85 no 100.0  99.9  7.327  7.333 0.007 16  6 no  0.238  0  0 
       1 156 GLU QG  42 no 100.0  99.7  3.628  3.639 0.012 21  7 no  0.129  0  0 
       1 157 ARG QB  30 no 100.0  99.7  9.048  9.072 0.024 23  6 no  0.166  0  0 
       1 157 ARG QD  51 no 100.0  99.4  5.151  5.179 0.029 20  8 no  0.215  0  0 
       1 157 ARG QG  31 no 100.0  99.8  9.096  9.110 0.015 23  7 no  0.141  0  0 
       1 158 LEU QB  93 no 100.0  99.7  3.569  3.579 0.010 15  5 no  0.158  0  0 
       1 158 LEU QD  98 no 100.0 100.0 12.649 12.651 0.002 14  3 no  0.123  0  0 
       1 160 ARG QB 135 no 100.0  99.9  1.214  1.215 0.001  8  0 no  0.084  0  0 
       1 160 ARG QG 158 no 100.0   0.0  0.000  0.001 0.001  4  0 no  0.154  0  0 
       1 161 ASN QB 157 no 100.0   0.0  0.000  0.000 0.000  4  0 no  0.030  0  0 
       1 162 GLY QA 153 no 100.0   0.0  0.000  0.005 0.005  6  4 no  0.178  0  0 
       1 163 PRO QD 140 no 100.0   0.0  0.000  0.001 0.001  8  4 no  0.077  0  0 
    stop_

save_



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