NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555498 |
2rsx   |
11507 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2rsx
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 189
_Stereo_assign_list.Swap_count 7
_Stereo_assign_list.Swap_percentage 3.7
_Stereo_assign_list.Deassign_count 26
_Stereo_assign_list.Deassign_percentage 13.8
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 122.559
_Stereo_assign_list.Total_e_high_states 299.071
_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 8 LEU QB 55 no 5.0 100.0 0.000 0.000 0.000 14 5 no 0.000 0 0
1 8 LEU QD 2 no 100.0 100.0 2.026 2.026 0.000 49 18 no 0.015 0 0
1 9 SER QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 GLN QE 136 no 95.0 100.0 0.015 0.015 0.000 6 2 no 0.000 0 0
1 10 GLN QG 28 no 100.0 100.0 0.189 0.189 0.000 20 8 no 0.000 0 0
1 11 LYS QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 11 LYS QG 110 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 12 GLN QB 50 no 100.0 100.0 0.653 0.653 0.000 15 4 no 0.000 0 0
1 12 GLN QE 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 LEU QB 63 no 10.0 100.0 0.000 0.000 0.000 13 2 no 0.000 0 0
1 14 LEU QD 8 no 100.0 100.0 1.264 1.264 0.000 35 8 no 0.000 0 0
1 15 GLN QG 26 no 100.0 100.0 0.285 0.285 0.000 20 6 no 0.000 0 0
1 16 LEU QB 46 no 100.0 0.0 0.000 0.000 0.000 15 2 no 0.000 0 0
1 16 LEU QD 17 no 100.0 100.0 0.228 0.228 0.000 26 9 no 0.000 0 0
1 18 LEU QB 80 no 25.0 100.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 18 LEU QD 6 no 100.0 57.3 9.494 16.576 7.082 36 13 yes 2.236 40 40
1 19 SER QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 ARG QB 95 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 21 ARG QD 27 no 100.0 0.0 0.000 6.009 6.009 20 8 yes 2.395 32 40
1 21 ARG QG 160 no 100.0 0.0 0.000 5.084 5.084 4 0 yes 2.758 21 30
1 22 GLU QG 79 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 23 HIS QB 75 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 24 PHE QB 130 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 25 TRP QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 26 ASN QB 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 26 ASN QD 78 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 28 MET QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 28 MET QG 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 29 SER QB 108 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 31 HIS QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 32 ASN QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 PRO QD 184 no 100.0 68.0 1.726 2.538 0.813 2 0 yes 0.992 0 35
1 33 PRO QG 165 yes 75.0 10.5 0.183 1.748 1.565 3 0 yes 1.412 20 20
1 34 LYS QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 LYS QG 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 VAL QG 69 no 100.0 0.0 0.000 0.217 0.217 12 0 no 0.778 0 8
1 36 LYS QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 LYS QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 37 LYS QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 VAL QG 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 40 CYS QB 154 no 100.0 0.0 0.000 0.065 0.065 4 0 no 0.497 0 0
1 41 PRO QB 138 no 0.0 0.0 0.000 0.229 0.229 6 4 no 0.511 0 3
1 41 PRO QG 139 no 55.0 78.9 0.210 0.266 0.056 5 4 no 0.475 0 0
1 42 SER QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 GLY QA 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 GLU QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 GLU QG 68 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 47 TYR QB 74 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 47 TYR QD 60 yes 100.0 76.1 0.585 0.769 0.184 14 9 no 0.000 0 0
1 47 TYR QE 121 yes 100.0 100.0 0.184 0.184 0.000 7 7 no 0.000 0 0
1 48 GLN QB 99 no 100.0 100.0 0.163 0.163 0.000 9 5 no 0.000 0 0
1 48 GLN QE 189 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 48 GLN QG 135 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 49 ASN QD 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 50 LEU QB 58 no 100.0 87.9 6.584 7.491 0.906 14 8 no 0.515 0 3
1 50 LEU QD 34 no 100.0 99.4 3.585 3.607 0.022 18 12 no 0.322 0 0
1 51 GLN QE 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 52 TYR QB 88 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 52 TYR QD 9 no 100.0 84.1 10.445 12.423 1.978 35 23 yes 1.660 20 21
1 52 TYR QE 24 no 100.0 100.0 6.751 6.751 0.000 21 21 no 0.000 0 0
1 53 VAL QG 20 no 100.0 100.0 0.551 0.551 0.000 23 2 no 0.000 0 0
1 54 TYR QB 43 no 100.0 90.7 0.057 0.063 0.006 16 7 no 0.235 0 0
1 54 TYR QD 16 no 100.0 97.5 1.229 1.261 0.032 27 16 no 0.373 0 0
1 54 TYR QE 67 no 100.0 100.0 6.280 6.280 0.000 13 13 no 0.000 0 0
1 55 MET QB 107 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 55 MET QG 18 no 10.0 100.0 0.000 0.000 0.000 25 13 no 0.000 0 0
1 56 CYS QB 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 59 LEU QB 66 no 100.0 100.0 0.701 0.701 0.000 13 6 no 0.000 0 0
1 59 LEU QD 7 no 100.0 100.0 0.748 0.748 0.000 36 14 no 0.000 0 0
1 62 LYS QB 51 no 100.0 0.0 0.000 0.000 0.000 15 5 no 0.000 0 0
1 62 LYS QE 45 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.000 0 0
1 62 LYS QG 115 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 64 LYS QB 106 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.008 0 0
1 64 LYS QD 105 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 64 LYS QG 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 VAL QG 13 no 100.0 100.0 2.556 2.556 0.000 30 5 no 0.000 0 0
1 67 ASN QB 87 no 100.0 100.0 0.233 0.233 0.000 11 3 no 0.000 0 0
1 67 ASN QD 97 no 75.0 100.0 0.239 0.239 0.000 9 2 no 0.000 0 0
1 68 TYR QB 92 no 100.0 0.0 0.000 0.000 0.000 10 3 no 0.000 0 0
1 68 TYR QD 39 no 100.0 96.7 5.140 5.313 0.173 17 12 no 0.615 0 4
1 68 TYR QE 116 no 85.0 100.0 0.174 0.174 0.000 8 8 no 0.000 0 0
1 69 LEU QB 49 no 100.0 100.0 0.359 0.359 0.000 15 3 no 0.000 0 0
1 69 LEU QD 10 no 100.0 90.8 16.866 18.565 1.699 34 8 yes 1.598 20 20
1 71 PRO QB 151 no 100.0 0.0 0.000 1.125 1.125 4 0 yes 0.974 0 20
1 71 PRO QD 134 no 100.0 47.9 5.799 12.097 6.297 6 2 yes 2.251 31 66
1 71 PRO QG 118 yes 75.0 35.7 0.119 0.333 0.214 7 0 no 0.504 0 2
1 72 ILE QG 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 PHE QB 48 no 45.0 100.0 0.000 0.000 0.000 15 3 no 0.000 0 0
1 75 LYS QG 104 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 78 ILE QG 65 no 100.0 100.0 0.440 0.440 0.000 13 5 no 0.000 0 0
1 79 GLU QG 30 no 100.0 100.0 0.069 0.069 0.000 19 1 no 0.000 0 0
1 80 LYS QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 81 GLY QA 38 no 100.0 100.0 0.078 0.078 0.000 17 11 no 0.000 0 0
1 82 PHE QB 91 no 100.0 100.0 0.089 0.089 0.000 10 2 no 0.000 0 0
1 83 LYS QG 125 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 84 ASP QB 57 no 20.0 100.0 0.004 0.004 0.000 14 8 no 0.000 0 0
1 85 TYR QB 86 no 100.0 100.0 0.958 0.958 0.000 11 2 no 0.000 0 0
1 85 TYR QD 14 no 100.0 100.0 7.227 7.227 0.000 29 18 no 0.063 0 0
1 85 TYR QE 61 no 100.0 100.0 6.923 6.923 0.000 14 14 no 0.000 0 0
1 86 HIS QB 98 no 100.0 98.6 2.493 2.528 0.035 9 5 no 0.288 0 0
1 87 PHE QB 73 no 100.0 100.0 1.212 1.212 0.000 12 2 no 0.000 0 0
1 87 PHE QE 94 no 100.0 100.0 10.063 10.063 0.000 10 5 no 0.000 0 0
1 89 VAL QG 133 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 90 SER QB 103 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 91 LYS QD 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 GLY QA 119 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 93 LYS QB 137 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 93 LYS QG 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 94 LEU QB 64 no 100.0 100.0 0.006 0.006 0.000 13 4 no 0.000 0 0
1 94 LEU QD 15 no 100.0 100.0 0.303 0.303 0.000 28 10 no 0.000 0 0
1 96 VAL QG 11 no 50.0 13.0 0.048 0.371 0.323 33 6 yes 0.636 0 20
1 97 PRO QB 164 no 100.0 0.0 0.000 0.035 0.035 4 4 no 0.288 0 0
1 97 PRO QD 96 no 100.0 27.4 8.388 30.599 22.210 9 2 yes 2.720 122 140
1 97 PRO QG 120 no 75.0 19.0 0.085 0.446 0.361 7 4 no 0.522 0 11
1 98 ILE QG 102 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 99 GLY QA 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 ASP QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 GLY QA 174 no 100.0 0.0 0.000 0.279 0.279 2 0 yes 1.119 2 7
1 103 ASN QB 114 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 103 ASN QD 163 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 104 LEU QB 113 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 104 LEU QD 56 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 105 LEU QB 90 no 100.0 0.0 0.000 0.072 0.072 10 2 no 0.474 0 0
1 105 LEU QD 42 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 106 ASN QB 52 no 100.0 98.0 2.961 3.022 0.062 15 7 no 0.395 0 0
1 106 ASN QD 33 no 100.0 94.5 5.158 5.459 0.301 18 11 yes 0.695 0 17
1 107 TRP QB 37 no 100.0 37.8 2.399 6.342 3.943 17 10 yes 2.001 20 20
1 108 LYS QB 109 no 100.0 100.0 1.277 1.277 0.000 8 1 no 0.000 0 0
1 109 LYS QB 82 no 100.0 77.8 0.807 1.037 0.230 12 5 no 0.531 0 4
1 109 LYS QG 93 no 100.0 100.0 0.273 0.273 0.000 10 4 no 0.000 0 0
1 110 SER QB 29 no 100.0 8.6 0.587 6.803 6.216 20 10 yes 2.292 40 40
1 113 LYS QB 62 no 30.0 100.0 0.023 0.023 0.000 13 2 no 0.000 0 0
1 113 LYS QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 114 LEU QB 59 no 100.0 100.0 0.071 0.071 0.000 14 9 no 0.000 0 0
1 114 LEU QD 12 no 100.0 100.0 0.086 0.086 0.000 31 10 no 0.000 0 0
1 115 ILE QG 22 no 100.0 100.0 0.165 0.165 0.000 22 3 no 0.000 0 0
1 116 SER QB 40 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.000 0 0
1 117 LYS QB 112 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 117 LYS QG 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 LYS QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 120 SER QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 122 ILE QG 35 no 100.0 89.4 2.326 2.602 0.276 17 2 no 0.725 0 9
1 124 TYR QB 31 no 100.0 0.0 0.000 0.000 0.000 18 2 no 0.000 0 0
1 124 TYR QD 4 no 100.0 80.6 5.274 6.541 1.267 45 29 yes 1.220 14 20
1 124 TYR QE 21 no 100.0 100.0 8.755 8.755 0.000 23 23 no 0.000 0 0
1 125 GLU QB 81 no 100.0 100.0 1.646 1.646 0.000 12 5 no 0.000 0 0
1 125 GLU QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 126 PHE QB 36 no 100.0 95.9 0.142 0.148 0.006 17 7 no 0.222 0 0
1 128 VAL QG 1 no 100.0 100.0 3.199 3.199 0.001 65 20 no 0.040 0 0
1 129 PRO QB 100 no 100.0 49.3 2.068 4.199 2.131 9 7 yes 1.283 20 24
1 129 PRO QG 171 no 100.0 0.0 0.000 0.319 0.319 2 0 yes 0.659 0 20
1 131 LEU QD 77 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 132 ASP QB 111 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 134 SER QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 PRO QD 169 yes 90.0 24.7 2.192 8.872 6.680 2 0 yes 2.449 40 40
1 135 PRO QG 168 no 100.0 0.0 0.000 1.249 1.249 2 0 yes 1.106 18 20
1 136 SER QB 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 138 LYS QB 101 no 100.0 100.0 0.271 0.271 0.000 8 0 no 0.000 0 0
1 138 LYS QD 122 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 138 LYS QG 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 139 ARG QB 32 yes 100.0 56.8 0.877 1.543 0.666 18 7 yes 0.818 0 27
1 139 ARG QD 132 no 100.0 0.0 0.000 0.003 0.003 6 2 no 0.151 0 0
1 139 ARG QG 131 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 140 LYS QB 117 no 75.0 100.0 0.001 0.001 0.000 7 0 no 0.000 0 0
1 140 LYS QG 84 no 100.0 100.0 0.134 0.134 0.000 11 0 no 0.000 0 0
1 141 VAL QG 5 no 100.0 100.0 2.739 2.739 0.000 41 6 no 0.000 0 0
1 143 PHE QB 85 yes 100.0 20.1 1.999 9.958 7.959 11 2 yes 2.919 20 39
1 144 VAL QG 72 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 145 LYS QB 41 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 145 LYS QE 83 no 100.0 0.0 0.000 0.407 0.407 12 6 yes 0.741 0 20
1 145 LYS QG 23 no 100.0 99.9 3.603 3.607 0.004 22 4 no 0.156 0 0
1 146 GLU QG 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 147 ASN QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 148 LYS QD 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 150 TRP QB 44 no 100.0 26.7 1.268 4.744 3.476 16 9 yes 1.885 20 20
1 151 LYS QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 151 LYS QD 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 151 LYS QE 188 no 100.0 0.0 0.000 4.470 4.470 2 2 yes 1.652 20 20
1 151 LYS QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 152 VAL QG 25 no 100.0 0.0 0.000 0.000 0.000 20 2 no 0.000 0 0
1 153 ASN QB 19 no 100.0 100.0 0.710 0.710 0.000 24 4 no 0.000 0 0
1 153 ASN QD 71 no 100.0 100.0 0.022 0.022 0.000 12 2 no 0.000 0 0
1 154 GLN QB 89 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 154 GLN QE 54 no 100.0 100.0 0.200 0.200 0.000 14 5 no 0.000 0 0
1 154 GLN QG 70 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 155 PHE QB 76 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 156 ASP QB 47 no 100.0 0.0 0.000 0.000 0.000 15 3 no 0.000 0 0
1 158 VAL QG 3 no 100.0 100.0 1.184 1.184 0.000 48 8 no 0.000 0 0
1 159 ILE QG 53 no 70.0 0.3 0.089 25.911 25.822 14 0 yes 3.681 60 60
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