NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
545510 |
2lgj   |
17811 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lgj
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 192
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.5
_Stereo_assign_list.Deassign_count 3
_Stereo_assign_list.Deassign_percentage 1.6
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 1.535
_Stereo_assign_list.Total_e_high_states 17.537
_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 MET QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 1 MET QG 70 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 3 GLU QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 GLU QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 LEU QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 LEU QD 35 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.008 0 0
1 6 LEU QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 LEU QD 69 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 7 VAL QG 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 8 VAL QG 11 no 10.0 100.0 0.015 0.015 0.000 10 2 no 0.000 0 0
1 10 LEU QD 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 TYR QB 41 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 17 TYR QD 21 no 100.0 100.0 9.772 9.772 0.000 10 4 no 0.033 0 0
1 19 LYS QB 82 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 19 LYS QD 68 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 19 LYS QE 20 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 19 LYS QG 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 ARG QD 67 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 21 ARG QG 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 HIS QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 ASN QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 LEU QB 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 LEU QD 10 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.012 0 0
1 25 GLY QA 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.030 0 0
1 26 PHE QB 81 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 26 PHE QD 40 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 27 MET QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 MET QG 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 28 VAL QG 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 30 ASP QB 34 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 31 VAL QG 33 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 32 LEU QD 66 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 35 ARG QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 ARG QD 65 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 35 ARG QG 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 ILE QG 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 SER QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 40 PHE QB 80 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 40 PHE QD 4 no 90.0 94.7 3.736 3.944 0.208 13 6 yes 1.259 1 1
1 41 LYS QB 19 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 41 LYS QD 64 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 41 LYS QE 18 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 41 LYS QG 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 42 VAL QG 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 HIS QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 45 LYS QB 140 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 45 LYS QE 79 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 46 SER QB 139 no 70.0 94.9 0.015 0.015 0.001 4 4 no 0.256 0 0
1 49 GLU QB 63 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 49 GLU QG 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 50 VAL QG 3 no 70.0 56.4 0.002 0.003 0.001 14 0 no 0.120 0 0
1 51 VAL QG 1 no 100.0 100.0 0.022 0.022 0.000 18 2 no 0.437 0 0
1 53 GLY QA 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 ARG QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 ARG QD 42 no 90.0 99.7 0.031 0.032 0.000 7 0 no 0.550 0 1
1 54 ARG QG 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 55 LEU QD 62 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 59 SER QB 61 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 60 VAL QG 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 61 VAL QG 5 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 62 LEU QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 LEU QD 32 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 64 LYS QB 78 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 64 LYS QD 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 64 LYS QE 39 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 64 LYS QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 ARG QD 60 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 66 ARG QG 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 67 CYS QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 TYR QB 17 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 68 TYR QD 38 no 30.0 59.6 0.030 0.050 0.020 8 4 no 0.402 0 0
1 69 MET QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 69 MET QG 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 GLU QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 GLU QG 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 72 SER QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 GLY QA 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 ARG QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 ARG QD 59 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 74 ARG QG 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 GLN QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 GLN QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 VAL QG 191 no 10.0 100.0 0.015 0.015 0.000 2 2 no 0.000 0 0
1 78 PRO QB 136 yes 100.0 99.2 1.400 1.412 0.011 4 2 no 0.233 0 0
1 79 LEU QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 LEU QD 2 no 20.0 72.4 0.031 0.043 0.012 17 2 no 0.256 0 0
1 81 LYS QB 77 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 81 LYS QD 58 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 81 LYS QE 16 no 10.0 0.0 0.000 0.002 0.002 10 4 no 0.091 0 0
1 81 LYS QG 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 PHE QB 76 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 82 PHE QD 15 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 83 TYR QB 14 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 83 TYR QD 23 no 70.0 58.5 0.648 1.109 0.461 9 4 yes 1.589 6 7
1 84 SER QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 VAL QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 ILE QG 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 91 VAL QG 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 VAL QG 31 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 93 ILE QG 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 96 GLU QG 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 97 LEU QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 LEU QD 57 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 98 ASP QB 56 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 99 ILE QG 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 ASP QB 55 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 101 PHE QB 75 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 101 PHE QD 22 no 70.0 25.5 0.280 1.097 0.817 9 4 yes 2.042 3 6
1 102 GLY QA 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 ARG QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 ARG QD 54 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 103 ARG QG 111 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 104 ILE QG 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 105 ARG QG 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 106 LEU QD 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 107 LYS QB 138 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 107 LYS QD 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 107 LYS QE 74 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 108 LEU QD 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 115 HIS QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 116 ASN QB 192 no 60.0 100.0 0.003 0.003 0.000 1 0 no 0.000 0 0
1 118 LEU QB 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 LEU QD 53 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 119 ARG QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 ARG QD 52 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 119 ARG QG 105 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 121 VAL QG 30 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 125 LEU QB 9 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 125 LEU QD 8 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 128 LYS QB 137 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 128 LYS QD 51 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 128 LYS QE 13 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 128 LYS QG 104 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 129 ASN QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 ARG QB 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 132 ARG QD 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 132 ARG QG 101 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 133 VAL QG 29 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 134 ARG QD 50 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 134 ARG QG 100 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 135 ILE QG 99 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 136 GLY QA 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 137 VAL QG 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 139 ARG QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 ARG QD 96 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 139 ARG QG 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 ARG QD 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 LYS QB 73 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 144 LYS QD 28 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 144 LYS QE 12 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.062 0 0
1 144 LYS QG 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 145 ASP QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 149 PHE QB 72 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 149 PHE QD 37 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 150 VAL QG 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 151 LEU QB 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 LEU QD 49 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 152 GLU QB 48 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 152 GLU QG 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 153 ASN QB 47 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 154 PHE QB 71 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 154 PHE QD 36 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 158 GLU QB 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 GLU QG 92 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 159 ARG QD 46 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 159 ARG QG 27 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.026 0 0
1 161 GLU QB 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 GLU QG 91 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 162 VAL QG 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 165 ILE QG 26 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 166 VAL QG 90 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 167 GLU QB 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 167 GLU QG 89 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 168 GLN QB 88 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 168 GLN QG 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 171 ASP QB 45 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 174 GLU QG 25 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 175 LEU QB 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 175 LEU QD 7 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 176 LEU QB 86 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 176 LEU QD 6 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.027 0 0
1 177 ILE QG 85 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 179 GLN QG 84 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 181 LEU QD 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 182 GLU QB 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 182 GLU QG 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 185 GLN QB 44 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 185 GLN QG 83 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 186 ASN QB 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 188 VAL QG 24 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 189 HIS QB 141 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 191 TRP QB 43 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.025 0 0
stop_
save_
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