NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476333 |
2kmv   |
16440 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kmv
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 182
_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 0.001
_Stereo_assign_list.Total_e_high_states 9.862
_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 5 HIS QB 182 no 5.0 100.0 0.001 0.001 0.000 1 1 no 0.000 0 0
1 6 GLY QA 181 no 5.0 100.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 8 PRO QB 156 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 8 PRO QD 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 VAL QG 19 no 100.0 0.0 0.000 0.000 0.000 13 0 no 0.000 0 0
1 11 ASN QB 98 no 25.0 100.0 0.001 0.001 0.000 6 0 no 0.000 0 0
1 11 ASN QD 113 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 12 GLN QB 112 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 12 GLN QG 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 13 VAL QG 20 no 100.0 100.0 0.768 0.768 0.000 13 1 no 0.000 0 0
1 14 LYS QB 49 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 14 LYS QD 46 no 20.0 100.0 0.003 0.003 0.000 10 4 no 0.000 0 0
1 14 LYS QE 48 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 14 LYS QG 47 no 5.0 100.0 0.001 0.001 0.000 10 5 no 0.000 0 0
1 15 VAL QG 33 no 100.0 100.0 0.438 0.438 0.000 11 2 no 0.008 0 0
1 16 LEU QB 26 no 100.0 0.0 0.000 0.000 0.000 13 8 no 0.000 0 0
1 16 LEU QD 104 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 18 GLU QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 GLU QG 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 19 SER QB 178 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 21 ARG QB 43 no 15.0 100.0 0.004 0.004 0.000 10 3 no 0.000 0 0
1 21 ARG QG 52 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 23 SER QB 168 no 40.0 100.0 0.003 0.003 0.000 2 0 no 0.000 0 0
1 27 ILE QG 14 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.000 0 0
1 28 LEU QB 111 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 30 ILE QG 54 no 100.0 100.0 0.149 0.149 0.000 9 1 no 0.000 0 0
1 31 VAL QG 39 no 90.0 100.0 0.038 0.038 0.000 10 0 no 0.000 0 0
1 32 GLY QA 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 37 ASN QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 39 GLU QB 154 no 25.0 100.0 0.031 0.031 0.000 3 1 no 0.000 0 0
1 40 HIS QB 86 no 50.0 100.0 0.056 0.056 0.000 7 5 no 0.000 0 0
1 41 PRO QB 177 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 41 PRO QD 138 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 42 LEU QB 45 no 5.0 100.0 0.032 0.032 0.000 10 4 no 0.000 0 0
1 42 LEU QD 31 no 100.0 0.0 0.000 0.000 0.000 12 7 no 0.000 0 0
1 43 GLY QA 38 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 46 ILE QG 110 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 48 LYS QG 70 no 100.0 100.0 0.790 0.790 0.000 7 1 no 0.000 0 0
1 50 CYS QB 61 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 52 GLN QB 34 no 90.0 100.0 0.404 0.404 0.000 11 3 no 0.000 0 0
1 52 GLN QG 55 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0
1 53 GLU QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 GLU QG 73 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 54 LEU QD 3 no 10.0 100.0 0.005 0.005 0.000 25 4 no 0.000 0 0
1 55 ASP QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 57 GLU QG 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 59 LEU QB 103 no 80.0 100.0 0.244 0.244 0.000 6 2 no 0.000 0 0
1 59 LEU QD 7 no 10.0 100.0 0.041 0.041 0.000 17 2 no 0.007 0 0
1 60 GLY QA 150 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 62 CYS QB 95 no 5.0 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 63 ILE QG 94 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 64 ASP QB 85 no 70.0 100.0 0.161 0.161 0.000 7 5 no 0.000 0 0
1 65 PHE QB 120 no 95.0 100.0 0.166 0.166 0.000 5 3 no 0.000 0 0
1 66 GLN QB 83 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 66 GLN QE 153 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 66 GLN QG 72 no 10.0 100.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 67 VAL QG 23 no 85.0 100.0 0.860 0.860 0.000 13 4 no 0.000 0 0
1 68 VAL QG 69 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 69 PRO QB 176 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 69 PRO QD 102 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 69 PRO QG 155 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 71 CYS QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 GLY QA 75 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 74 SER QB 11 no 90.0 100.0 0.772 0.772 0.000 16 10 no 0.000 0 0
1 75 CYS QB 13 no 100.0 0.0 0.000 0.000 0.000 15 4 no 0.000 0 0
1 76 LYS QB 82 no 50.0 100.0 0.025 0.025 0.000 7 4 no 0.000 0 0
1 76 LYS QD 25 no 25.0 100.0 0.062 0.062 0.000 13 7 no 0.000 0 0
1 76 LYS QG 36 no 15.0 100.0 0.031 0.031 0.000 11 4 no 0.000 0 0
1 77 VAL QG 28 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 79 ASN QB 60 no 55.0 100.0 0.028 0.028 0.000 8 2 no 0.000 0 0
1 79 ASN QD 101 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 80 ILE QG 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 GLY QA 149 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 83 LEU QB 137 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 83 LEU QD 118 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 84 LEU QB 117 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 84 LEU QD 105 no 55.0 100.0 0.133 0.133 0.000 6 3 no 0.000 0 0
1 85 HIS QB 148 no 15.0 100.0 0.001 0.001 0.000 3 0 no 0.000 0 0
1 86 LYS QB 66 no 70.0 100.0 0.279 0.279 0.000 7 0 no 0.000 0 0
1 88 ASN QB 175 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 90 ASN QB 127 no 40.0 100.0 0.168 0.168 0.000 4 0 no 0.000 0 0
1 90 ASN QD 93 no 100.0 100.0 0.002 0.002 0.000 6 0 no 0.183 0 0
1 91 ILE QG 51 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 92 GLU QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 GLU QG 92 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 93 ASP QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 ASN QB 147 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 94 ASN QD 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 ASN QB 180 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 95 ASN QD 134 no 100.0 100.0 0.020 0.020 0.000 4 1 no 0.625 0 1
1 97 LYS QB 91 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 97 LYS QG 65 no 70.0 100.0 0.280 0.280 0.000 7 0 no 0.000 0 0
1 98 ASN QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 98 ASN QD 146 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 101 LEU QB 81 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 101 LEU QD 15 no 5.0 100.0 0.001 0.001 0.000 14 4 no 0.000 0 0
1 103 GLN QB 80 no 80.0 100.0 0.160 0.160 0.000 7 4 no 0.000 0 0
1 103 GLN QE 79 no 100.0 100.0 0.004 0.004 0.000 7 4 no 0.275 0 0
1 104 ILE QG 109 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 105 ASP QB 145 no 40.0 100.0 0.006 0.006 0.000 3 0 no 0.000 0 0
1 107 SER QB 144 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 108 ASN QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 ASN QD 143 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 109 GLU QB 152 no 60.0 100.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 109 GLU QG 133 no 60.0 100.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 110 GLN QB 179 no 90.0 100.0 0.584 0.584 0.000 1 1 no 0.000 0 0
1 111 SER QB 171 no 85.0 100.0 0.285 0.285 0.000 2 1 no 0.000 0 0
1 112 SER QB 174 no 20.0 100.0 0.002 0.002 0.000 1 0 no 0.000 0 0
1 117 MET QB 173 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 117 MET QG 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 ILE QG 90 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 119 ILE QG 64 no 90.0 100.0 0.060 0.060 0.000 7 0 no 0.000 0 0
1 120 ASP QB 63 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 122 GLN QB 57 no 25.0 100.0 0.042 0.042 0.000 9 5 no 0.017 0 0
1 122 GLN QE 78 no 100.0 100.0 0.000 0.000 0.000 7 4 no 0.017 0 0
1 122 GLN QG 115 no 5.0 100.0 0.001 0.001 0.000 5 1 no 0.000 0 0
1 123 ILE QG 71 no 85.0 100.0 0.637 0.637 0.000 7 2 no 0.000 0 0
1 125 ASN QB 68 no 20.0 100.0 0.068 0.068 0.000 7 1 no 0.000 0 0
1 127 LEU QB 136 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 127 LEU QD 116 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 128 ASN QB 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 128 ASN QD 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 130 GLN QB 106 no 100.0 0.0 0.000 0.000 0.000 6 5 no 0.000 0 0
1 130 GLN QE 77 no 100.0 100.0 0.003 0.003 0.000 7 4 no 0.243 0 0
1 130 GLN QG 114 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 131 GLN QB 76 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 131 GLN QE 24 yes 100.0 100.0 0.497 0.497 0.000 13 7 no 0.000 0 0
1 131 GLN QG 42 no 100.0 0.0 0.000 0.000 0.000 10 3 no 0.000 0 0
1 132 TYR QB 32 no 10.0 100.0 0.013 0.013 0.000 11 2 no 0.000 0 0
1 133 LYS QB 29 no 45.0 100.0 0.059 0.059 0.000 12 3 no 0.000 0 0
1 133 LYS QG 16 no 75.0 100.0 0.286 0.286 0.000 14 5 no 0.000 0 0
1 134 VAL QG 22 no 100.0 0.0 0.000 0.000 0.000 13 4 no 0.000 0 0
1 135 LEU QB 35 no 60.0 100.0 0.149 0.149 0.000 11 4 no 0.000 0 0
1 135 LEU QD 2 no 100.0 0.0 0.000 0.000 0.000 26 14 no 0.000 0 0
1 137 GLY QA 74 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 138 ASN QB 172 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 140 GLU QB 108 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 140 GLU QG 142 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 142 MET QG 100 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 144 ARG QB 53 no 100.0 0.0 0.000 0.000 0.000 9 1 no 0.000 0 0
1 144 ARG QG 41 no 25.0 100.0 0.009 0.009 0.000 10 1 no 0.000 0 0
1 145 ASN QB 18 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 145 ASN QD 84 no 100.0 0.0 0.000 0.000 0.000 7 5 no 0.000 0 0
1 146 GLY QA 151 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 147 LEU QD 1 no 10.0 100.0 0.000 0.000 0.000 26 5 no 0.000 0 0
1 148 VAL QG 50 no 5.0 3.6 0.000 0.001 0.001 9 0 no 0.103 0 0
1 149 ILE QG 67 no 25.0 100.0 0.056 0.056 0.000 7 1 no 0.000 0 0
1 150 ASN QB 56 no 5.0 100.0 0.009 0.009 0.000 9 4 no 0.000 0 0
1 150 ASN QD 99 no 100.0 100.0 0.013 0.013 0.000 6 1 no 0.488 0 0
1 151 ASN QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 152 ASP QB 135 no 15.0 100.0 0.010 0.010 0.000 4 2 no 0.000 0 0
1 153 VAL QG 6 no 65.0 100.0 0.079 0.079 0.000 18 4 no 0.000 0 0
1 154 ASN QB 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 154 ASN QD 89 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 155 ASP QB 123 no 25.0 100.0 0.037 0.037 0.000 4 0 no 0.000 0 0
1 157 MET QB 37 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 159 GLU QB 59 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 159 GLU QG 141 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 160 HIS QB 140 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 161 GLU QB 58 no 50.0 100.0 0.144 0.144 0.000 8 0 no 0.000 0 0
1 161 GLU QG 88 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 162 ARG QG 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 163 LYS QB 44 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 163 LYS QD 30 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 163 LYS QG 87 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 165 ARG QB 139 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 165 ARG QD 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 168 VAL QG 27 no 100.0 0.0 0.000 0.000 0.000 12 1 no 0.000 0 0
1 169 LEU QB 40 no 20.0 100.0 0.022 0.022 0.000 10 1 no 0.000 0 0
1 169 LEU QD 12 no 100.0 0.0 0.000 0.000 0.000 15 2 no 0.000 0 0
1 170 VAL QG 62 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 172 VAL QG 9 no 15.0 100.0 0.007 0.007 0.000 17 6 no 0.000 0 0
1 175 GLU QB 17 no 5.0 100.0 0.004 0.004 0.000 14 7 no 0.000 0 0
1 176 LEU QB 21 no 75.0 100.0 0.124 0.124 0.000 13 4 no 0.000 0 0
1 176 LEU QD 5 no 15.0 100.0 0.003 0.003 0.000 20 8 no 0.000 0 0
1 177 CYS QB 8 no 95.0 100.0 0.424 0.424 0.000 17 6 no 0.000 0 0
1 178 GLY QA 10 no 10.0 100.0 0.001 0.001 0.000 16 8 no 0.000 0 0
1 179 LEU QB 119 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 179 LEU QD 4 no 70.0 100.0 0.067 0.067 0.000 22 15 no 0.000 0 0
1 180 ILE QG 132 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 182 ILE QG 107 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 184 ASP QB 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
stop_
save_
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