NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454338 |
2yue   |
11351 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2yue
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 191
_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 0.028
_Stereo_assign_list.Total_e_high_states 402.688
_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 6 SER QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 PRO QB 154 no 100.0 100.0 1.234 1.234 0.000 3 0 no 0.000 0 0
1 8 PRO QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 LEU QB 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 9 LEU QD 16 no 100.0 100.0 7.252 7.252 0.000 21 2 no 0.001 0 0
1 10 GLN QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 10 GLN QE 60 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.008 0 0
1 10 GLN QG 108 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 11 PHE QB 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
1 12 HIS QB 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 13 SER QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 VAL QG 7 no 100.0 100.0 18.411 18.412 0.000 35 9 no 0.059 0 0
1 15 HIS QB 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.011 0 0
1 16 GLY QA 149 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.019 0 0
1 18 ASN QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 19 ILE QG 62 no 100.0 100.0 1.582 1.582 0.000 9 0 no 0.037 0 0
1 20 ARG QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 20 ARG QD 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 ARG QG 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 21 ILE QG 94 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 25 GLY QA 152 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.008 0 0
1 27 LEU QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 LEU QD 14 no 100.0 100.0 5.355 5.355 0.000 24 6 no 0.031 0 0
1 29 ARG QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 29 ARG QD 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.017 0 0
1 29 ARG QG 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 30 ARG QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 30 ARG QG 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 GLU QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 GLU QG 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.018 0 0
1 40 PHE QB 51 no 100.0 100.0 0.861 0.861 0.000 11 5 no 0.022 0 0
1 43 ARG QB 148 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 43 ARG QD 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
1 43 ARG QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 PRO QB 77 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 44 PRO QD 67 no 100.0 100.0 1.315 1.315 0.000 9 2 no 0.018 0 0
1 44 PRO QG 59 no 100.0 100.0 1.790 1.790 0.000 10 4 no 0.015 0 0
1 45 VAL QG 6 no 100.0 100.0 22.306 22.306 0.000 35 4 no 0.013 0 0
1 46 ARG QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 ARG QD 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 ARG QG 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 ILE QG 26 no 100.0 100.0 2.671 2.671 0.000 14 4 no 0.020 0 0
1 48 ASN QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.016 0 0
1 48 ASN QD 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 49 GLU QB 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 49 GLU QG 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 50 ARG QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.054 0 0
1 50 ARG QD 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.012 0 0
1 50 ARG QG 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.027 0 0
1 51 ILE QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 CYS QB 44 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.003 0 0
1 53 VAL QG 22 no 100.0 0.0 0.000 0.000 0.000 16 2 no 0.009 0 0
1 54 LYS QB 57 no 100.0 100.0 0.213 0.213 0.000 10 3 no 0.000 0 0
1 54 LYS QD 83 no 100.0 100.0 0.902 0.902 0.000 7 4 no 0.019 0 0
1 54 LYS QE 151 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 54 LYS QG 43 no 100.0 100.0 3.417 3.417 0.000 12 5 no 0.008 0 0
1 55 PHE QB 46 no 100.0 100.0 2.510 2.510 0.000 11 0 no 0.007 0 0
1 57 GLU QB 50 no 100.0 100.0 0.787 0.787 0.000 11 4 no 0.029 0 0
1 57 GLU QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 ILE QG 66 no 100.0 100.0 0.424 0.424 0.000 9 1 no 0.000 0 0
1 59 SER QB 93 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.012 0 0
1 60 ASN QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 ASN QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 TRP QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 ASN QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 66 ILE QG 65 no 100.0 100.0 2.739 2.739 0.000 9 1 no 0.010 0 0
1 67 ARG QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 67 ARG QG 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 68 PHE QB 33 no 100.0 100.0 1.531 1.531 0.000 13 4 no 0.013 0 0
1 69 GLY QA 191 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 70 PHE QB 32 no 100.0 100.0 0.768 0.768 0.000 13 4 no 0.022 0 0
1 73 ASN QB 41 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.023 0 0
1 74 ASP QB 127 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.233 0 0
1 75 PRO QB 25 no 100.0 100.0 2.805 2.805 0.000 14 3 no 0.039 0 0
1 75 PRO QD 64 no 100.0 100.0 0.603 0.603 0.000 9 1 no 0.012 0 0
1 75 PRO QG 103 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.022 0 0
1 76 VAL QG 73 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.017 0 0
1 78 LEU QB 52 no 100.0 100.0 0.920 0.920 0.000 11 8 no 0.000 0 0
1 78 LEU QD 11 no 100.0 100.0 3.952 3.953 0.001 31 11 no 0.053 0 0
1 79 GLU QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 GLU QG 102 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.024 0 0
1 82 LEU QB 36 no 100.0 99.8 0.361 0.362 0.001 13 6 no 0.050 0 0
1 82 LEU QD 9 no 100.0 100.0 22.494 22.494 0.000 34 14 no 0.019 0 0
1 83 PRO QB 101 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.010 0 0
1 83 PRO QD 45 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.050 0 0
1 83 PRO QG 31 no 100.0 99.5 2.716 2.728 0.012 13 4 no 0.218 0 0
1 84 LYS QB 107 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 84 LYS QE 150 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 85 TYR QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 CYS QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 PRO QB 153 no 100.0 100.0 1.276 1.276 0.000 3 0 no 0.000 0 0
1 88 PRO QD 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 ASP QB 35 no 100.0 100.0 0.813 0.813 0.000 13 6 no 0.046 0 0
1 90 LEU QB 147 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 90 LEU QD 10 no 100.0 100.0 16.606 16.607 0.000 33 14 no 0.026 0 0
1 92 ASN QB 106 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 92 ASN QD 105 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.003 0 0
1 93 ARG QB 92 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.135 0 0
1 93 ARG QD 146 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.001 0 0
1 93 ARG QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 PRO QD 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 GLY QA 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 96 PHE QB 91 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.012 0 0
1 97 TRP QB 15 no 100.0 100.0 1.190 1.190 0.000 22 10 no 0.044 0 0
1 99 LYS QB 37 no 100.0 100.0 2.885 2.885 0.000 13 7 no 0.001 0 0
1 99 LYS QD 100 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 99 LYS QE 70 no 100.0 100.0 3.267 3.267 0.000 9 5 no 0.003 0 0
1 99 LYS QG 82 no 100.0 100.0 0.734 0.734 0.000 7 3 no 0.000 0 0
1 101 LEU QB 42 no 100.0 100.0 2.478 2.478 0.000 12 5 no 0.009 0 0
1 101 LEU QD 4 no 100.0 100.0 22.849 22.849 0.000 40 15 no 0.013 0 0
1 102 HIS QB 55 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.001 0 0
1 103 GLU QB 109 no 100.0 100.0 1.411 1.411 0.000 5 0 no 0.010 0 0
1 103 GLU QG 79 no 100.0 100.0 1.769 1.769 0.000 7 0 no 0.014 0 0
1 104 GLN QB 125 no 100.0 100.0 0.778 0.778 0.000 4 0 no 0.009 0 0
1 104 GLN QG 72 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 105 TYR QB 24 no 100.0 100.0 1.917 1.917 0.000 14 3 no 0.006 0 0
1 106 CYS QB 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 107 GLU QB 54 no 100.0 100.0 0.735 0.735 0.000 10 2 no 0.001 0 0
1 107 GLU QG 90 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 108 LYS QB 63 no 100.0 100.0 2.065 2.065 0.000 9 1 no 0.004 0 0
1 108 LYS QD 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 108 LYS QE 81 no 100.0 100.0 2.030 2.030 0.000 7 2 no 0.000 0 0
1 108 LYS QG 74 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 110 ASN QB 29 no 100.0 100.0 2.581 2.581 0.000 13 1 no 0.004 0 0
1 110 ASN QD 99 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.001 0 0
1 112 LEU QB 21 no 100.0 100.0 2.396 2.396 0.000 18 6 no 0.006 0 0
1 112 LEU QD 19 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.000 0 0
1 113 TYR QB 89 no 100.0 100.0 1.596 1.596 0.000 6 0 no 0.001 0 0
1 114 TYR QB 49 no 100.0 100.0 0.830 0.830 0.000 11 4 no 0.000 0 0
1 115 TYR QB 88 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 116 VAL QG 2 no 100.0 100.0 29.986 29.987 0.000 43 9 no 0.050 0 0
1 117 ASN QB 38 no 100.0 100.0 1.039 1.039 0.000 12 0 no 0.005 0 0
1 117 ASN QD 145 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.003 0 0
1 118 GLY QA 122 no 100.0 100.0 2.268 2.268 0.000 4 0 no 0.029 0 0
1 120 GLY QA 23 no 100.0 99.9 0.592 0.593 0.000 16 3 no 0.039 0 0
1 121 ASP QB 17 no 100.0 100.0 1.720 1.720 0.000 20 6 no 0.016 0 0
1 122 VAL QG 1 no 100.0 100.0 67.142 67.143 0.000 46 13 no 0.011 0 0
1 123 ILE QG 87 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 124 TYR QB 30 no 100.0 100.0 0.439 0.439 0.000 13 3 no 0.010 0 0
1 125 GLY QA 71 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 126 ILE QG 143 no 100.0 100.0 0.886 0.886 0.000 4 1 no 0.000 0 0
1 127 ASN QB 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 127 ASN QD 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 128 ASN QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 129 GLU QB 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 129 GLU QG 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 130 GLU QB 61 no 100.0 100.0 3.424 3.424 0.000 9 0 no 0.006 0 0
1 130 GLU QG 47 no 100.0 100.0 3.424 3.424 0.000 11 1 no 0.014 0 0
1 131 LYS QB 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 131 LYS QG 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 GLY QA 80 no 100.0 100.0 1.462 1.462 0.000 7 1 no 0.000 0 0
1 133 VAL QG 58 no 0.0 0.0 0.000 0.000 0.000 10 4 no 0.016 0 0
1 134 ILE QG 69 no 100.0 100.0 1.719 1.719 0.000 9 4 no 0.009 0 0
1 135 LEU QB 27 no 100.0 100.0 3.468 3.468 0.000 14 6 no 0.010 0 0
1 135 LEU QD 3 no 100.0 100.0 9.145 9.145 0.000 42 16 no 0.004 0 0
1 137 GLY QA 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
1 138 ILE QG 18 no 100.0 100.0 3.923 3.924 0.001 20 7 no 0.032 0 0
1 139 ASP QB 39 no 100.0 100.0 2.552 2.552 0.000 12 1 no 0.014 0 0
1 141 ARG QB 86 no 100.0 100.0 1.229 1.229 0.000 6 0 no 0.000 0 0
1 141 ARG QD 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 141 ARG QG 117 no 100.0 100.0 0.831 0.831 0.000 4 0 no 0.000 0 0
1 142 SER QB 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 143 LEU QB 40 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 143 LEU QD 13 no 100.0 100.0 9.211 9.211 0.000 29 12 no 0.007 0 0
1 144 LEU QB 76 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 144 LEU QD 8 no 100.0 100.0 39.969 39.969 0.000 35 10 no 0.012 0 0
1 145 TRP QB 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 147 VAL QG 12 no 100.0 100.0 5.740 5.740 0.000 29 2 no 0.012 0 0
1 148 ILE QG 75 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 149 ASP QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 153 ASN QB 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.027 0 0
1 154 CYS QB 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 156 GLY QA 20 no 100.0 100.0 4.357 4.357 0.000 18 6 no 0.023 0 0
1 157 ILE QG 85 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 158 GLU QB 56 no 100.0 100.0 1.342 1.342 0.000 10 3 no 0.000 0 0
1 158 GLU QG 68 no 100.0 100.0 1.119 1.119 0.000 9 3 no 0.020 0 0
1 159 PHE QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 160 LEU QB 78 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 160 LEU QD 5 no 100.0 100.0 17.689 17.689 0.000 38 17 no 0.019 0 0
1 161 ASP QB 53 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.001 0 0
1 162 SER QB 104 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 163 ARG QB 98 no 100.0 100.0 0.821 0.821 0.000 6 2 no 0.000 0 0
1 163 ARG QD 144 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 163 ARG QG 84 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 164 ILE QG 28 no 100.0 100.0 2.461 2.461 0.000 13 0 no 0.001 0 0
1 165 TYR QB 48 no 100.0 100.0 1.690 1.690 0.000 11 2 no 0.001 0 0
1 166 MET QB 112 no 100.0 100.0 0.962 0.962 0.000 4 0 no 0.000 0 0
1 166 MET QG 34 no 100.0 100.0 1.920 1.920 0.000 13 5 no 0.000 0 0
1 167 TYR QB 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 168 GLN QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 168 GLN QG 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
stop_
save_
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