NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
557301 |
2lqg   |
18313 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lqg
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 183
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 1.1
_Stereo_assign_list.Deassign_count 19
_Stereo_assign_list.Deassign_percentage 10.4
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 15.344
_Stereo_assign_list.Total_e_high_states 305.125
_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 ILE QG 130 no 100.0 0.0 0.000 0.000 0.000 8 1 no 0.000 0 0
1 3 ASP QB 127 no 100.0 0.0 0.000 0.000 0.000 9 5 no 0.000 0 0
1 4 PRO QB 107 no 100.0 86.9 0.004 0.005 0.001 12 8 no 0.184 0 0
1 4 PRO QD 39 no 60.0 80.6 0.062 0.077 0.015 19 13 no 0.438 0 0
1 4 PRO QG 106 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 5 PHE QB 110 no 60.0 39.4 0.274 0.694 0.421 11 2 yes 1.226 3 3
1 7 LEU QB 53 no 100.0 100.0 0.048 0.049 0.000 17 6 no 0.017 0 0
1 7 LEU QD 11 no 100.0 99.9 10.968 10.979 0.012 41 24 no 0.202 0 0
1 8 VAL QG 14 no 100.0 98.3 6.438 6.547 0.109 39 20 yes 1.269 1 1
1 9 GLN QB 29 no 90.0 78.2 0.749 0.958 0.209 22 9 yes 1.317 2 3
1 9 GLN QE 151 yes 100.0 100.0 0.225 0.225 0.000 3 0 no 0.036 0 0
1 9 GLN QG 168 no 20.0 57.5 0.030 0.053 0.022 2 2 no 0.193 0 0
1 10 ARG QD 123 no 35.0 58.5 0.004 0.008 0.003 10 5 no 0.160 0 0
1 10 ARG QG 104 no 65.0 20.9 0.002 0.009 0.007 12 7 no 0.349 0 0
1 11 LEU QB 42 no 65.0 99.9 0.134 0.135 0.000 18 5 no 0.054 0 0
1 11 LEU QD 13 no 75.0 62.6 0.328 0.523 0.195 40 16 no 0.792 0 6
1 12 GLU QB 93 no 100.0 99.9 1.586 1.587 0.001 13 5 no 0.139 0 0
1 12 GLU QG 38 no 95.0 89.6 1.322 1.475 0.153 19 12 yes 1.098 1 4
1 13 HIS QB 173 no 50.0 85.5 0.247 0.289 0.042 1 0 no 0.915 0 1
1 16 LYS QB 155 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 16 LYS QD 157 no 5.0 3.8 0.000 0.000 0.000 3 3 no 0.011 0 0
1 16 LYS QG 47 no 100.0 100.0 0.593 0.593 0.000 18 11 no 0.003 0 0
1 17 GLN QB 160 no 15.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 GLN QE 150 no 55.0 100.0 0.018 0.018 0.000 4 4 no 0.000 0 0
1 17 GLN QG 100 no 100.0 99.8 0.320 0.321 0.001 12 4 no 0.111 0 0
1 21 SER QB 25 no 90.0 78.5 0.475 0.604 0.130 24 6 no 0.815 0 3
1 24 GLN QB 133 no 95.0 94.0 0.341 0.363 0.022 8 4 no 0.598 0 1
1 24 GLN QE 149 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 24 GLN QG 72 no 55.0 77.4 0.134 0.174 0.039 15 7 no 0.475 0 0
1 26 ILE QG 71 no 60.0 84.5 0.387 0.458 0.071 15 4 no 0.770 0 3
1 30 GLN QB 68 no 75.0 59.8 0.026 0.043 0.017 16 10 no 0.287 0 0
1 30 GLN QE 146 no 25.0 60.0 0.012 0.021 0.008 4 2 no 0.401 0 0
1 30 GLN QG 65 no 65.0 82.4 0.049 0.060 0.011 16 8 no 0.513 0 1
1 31 HIS QB 172 no 55.0 88.6 0.270 0.305 0.035 1 0 no 0.641 0 1
1 34 SER QB 154 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 36 PRO QB 75 no 100.0 0.0 0.000 0.000 0.000 15 12 no 0.000 0 0
1 36 PRO QD 46 no 35.0 88.9 0.038 0.043 0.005 18 11 no 0.303 0 0
1 36 PRO QG 108 no 100.0 0.0 0.000 0.000 0.000 12 10 no 0.000 0 0
1 37 LYS QB 131 no 100.0 0.0 0.000 0.000 0.000 8 3 no 0.000 0 0
1 37 LYS QD 183 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 39 SER QB 143 no 80.0 13.1 0.015 0.116 0.101 5 2 no 0.861 0 3
1 41 GLY QA 132 no 40.0 2.5 0.002 0.081 0.079 8 4 no 0.560 0 2
1 42 PRO QB 134 no 100.0 0.0 0.000 0.000 0.000 8 5 no 0.000 0 0
1 42 PRO QD 109 no 75.0 7.2 0.006 0.079 0.073 12 11 no 0.560 0 2
1 43 GLN QE 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 GLN QG 182 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 44 PRO QB 86 no 10.0 100.0 0.005 0.005 0.000 14 12 no 0.000 0 0
1 44 PRO QD 35 no 80.0 97.4 0.233 0.240 0.006 21 12 no 0.325 0 0
1 44 PRO QG 58 no 40.0 43.1 0.001 0.003 0.002 17 17 no 0.172 0 0
1 45 LEU QB 61 no 40.0 99.5 0.049 0.049 0.000 16 6 no 0.050 0 0
1 45 LEU QD 124 no 50.0 25.9 0.097 0.376 0.279 9 3 yes 1.272 1 7
1 46 LEU QB 60 no 85.0 36.2 0.020 0.056 0.036 16 6 no 0.094 0 0
1 46 LEU QD 10 no 90.0 89.0 9.737 10.936 1.199 41 22 yes 2.024 11 14
1 47 VAL QG 37 no 85.0 90.2 6.309 6.997 0.688 19 7 yes 1.836 5 6
1 48 GLN QB 181 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 48 GLN QE 145 no 5.0 100.0 0.000 0.000 0.000 5 4 no 0.000 0 0
1 48 GLN QG 103 no 80.0 13.0 0.001 0.005 0.005 12 7 no 0.228 0 0
1 49 SER QB 171 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 50 CYS QB 59 no 55.0 85.1 0.095 0.111 0.017 16 3 no 0.770 0 3
1 51 LYS QB 156 no 15.0 100.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 51 LYS QD 180 no 15.0 100.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 51 LYS QE 179 no 20.0 47.9 0.010 0.020 0.010 1 1 no 0.000 0 0
1 53 VAL QG 3 no 100.0 100.0 17.476 17.482 0.006 61 22 no 0.334 0 0
1 55 GLU QB 162 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 55 GLU QG 90 no 75.0 99.3 0.102 0.103 0.001 13 4 no 0.121 0 0
1 56 GLN QB 33 no 90.0 98.3 0.072 0.073 0.001 21 9 no 0.092 0 0
1 56 GLN QE 137 no 100.0 95.2 0.695 0.730 0.035 8 8 no 0.833 0 1
1 56 GLN QG 18 no 95.0 81.5 0.569 0.698 0.129 31 21 yes 1.339 1 2
1 57 ILE QG 19 no 100.0 100.0 2.660 2.660 0.000 28 5 no 0.010 0 0
1 58 PRO QB 67 no 95.0 100.0 0.010 0.010 0.000 16 10 no 0.000 0 0
1 58 PRO QD 118 no 100.0 100.0 1.085 1.085 0.000 10 1 no 0.000 0 0
1 58 PRO QG 74 no 55.0 99.8 0.087 0.088 0.000 15 12 no 0.032 0 0
1 59 LEU QB 56 no 100.0 100.0 0.130 0.130 0.000 17 9 no 0.000 0 0
1 59 LEU QD 17 no 100.0 99.9 17.728 17.739 0.011 32 19 no 0.147 0 0
1 60 LEU QB 27 no 100.0 99.8 0.512 0.513 0.001 23 8 no 0.046 0 0
1 60 LEU QD 1 no 90.0 89.2 18.824 21.109 2.285 63 22 yes 2.057 18 31
1 61 VAL QG 15 no 100.0 99.4 20.208 20.332 0.124 33 11 no 0.288 0 0
1 62 GLN QB 66 no 65.0 100.0 0.091 0.091 0.000 16 10 no 0.005 0 0
1 62 GLN QG 128 no 100.0 0.0 0.000 0.000 0.000 9 7 no 0.000 0 0
1 63 GLY QA 87 no 90.0 100.0 0.163 0.163 0.000 13 2 no 0.000 0 0
1 64 VAL QG 4 no 100.0 99.5 33.986 34.147 0.161 61 29 no 0.873 0 5
1 65 ARG QG 119 no 95.0 73.1 0.004 0.005 0.001 10 3 no 0.288 0 0
1 66 GLY QA 170 no 100.0 100.0 1.216 1.216 0.000 1 0 no 0.013 0 0
1 67 SER QB 52 no 80.0 54.3 0.242 0.446 0.204 17 6 yes 1.272 1 5
1 68 GLN QB 82 no 45.0 100.0 0.001 0.001 0.000 14 8 no 0.000 0 0
1 68 GLN QE 141 no 30.0 85.8 0.045 0.053 0.007 6 6 no 0.382 0 0
1 68 GLN QG 105 no 20.0 93.8 0.003 0.003 0.000 12 8 no 0.059 0 0
1 70 GLN QB 80 no 100.0 99.3 0.387 0.390 0.003 14 5 no 0.238 0 0
1 70 GLN QG 142 no 75.0 31.4 0.067 0.213 0.146 5 1 no 0.859 0 7
1 71 PRO QB 126 no 100.0 0.0 0.000 0.000 0.000 9 5 no 0.000 0 0
1 71 PRO QD 57 no 20.0 99.6 0.004 0.004 0.000 17 10 no 0.013 0 0
1 71 PRO QG 84 no 30.0 100.0 0.006 0.006 0.000 14 9 no 0.000 0 0
1 72 ASP QB 138 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 73 SER QB 79 no 55.0 48.8 0.034 0.069 0.035 14 5 no 0.718 0 2
1 74 PRO QB 112 no 100.0 100.0 0.173 0.173 0.000 11 5 no 0.000 0 0
1 74 PRO QD 102 no 50.0 100.0 0.004 0.004 0.000 12 6 no 0.000 0 0
1 74 PRO QG 116 no 65.0 99.6 0.018 0.018 0.000 11 7 no 0.036 0 0
1 77 GLN QB 64 no 85.0 9.1 0.031 0.343 0.312 16 8 yes 1.250 2 6
1 77 GLN QE 136 no 100.0 99.6 0.233 0.234 0.001 8 8 no 0.000 0 0
1 77 GLN QG 31 no 60.0 12.1 0.046 0.380 0.334 22 13 yes 1.125 3 6
1 78 LEU QB 89 no 80.0 97.3 0.464 0.477 0.013 13 3 no 0.452 0 0
1 78 LEU QD 88 no 85.0 79.7 1.990 2.498 0.507 13 3 yes 1.588 3 8
1 80 LEU QB 81 no 35.0 98.7 0.157 0.160 0.002 14 6 no 0.011 0 0
1 80 LEU QD 16 no 100.0 98.5 9.468 9.608 0.140 32 16 no 0.021 0 0
1 81 ILE QG 41 no 100.0 88.9 0.297 0.334 0.037 18 4 no 0.792 0 1
1 84 SER QB 20 no 100.0 99.1 1.067 1.077 0.010 26 11 no 0.098 0 0
1 85 GLN QB 48 no 100.0 100.0 0.462 0.462 0.000 18 12 no 0.094 0 0
1 85 GLN QE 115 no 100.0 99.9 0.219 0.220 0.000 11 6 no 0.044 0 0
1 85 GLN QG 30 no 100.0 100.0 1.223 1.223 0.000 22 12 no 0.153 0 0
1 86 SER QB 129 no 30.0 39.2 0.044 0.111 0.067 8 1 no 0.433 0 0
1 87 PHE QB 34 no 100.0 80.1 0.517 0.645 0.128 21 10 no 0.000 0 0
1 88 LEU QB 78 no 100.0 100.0 0.007 0.007 0.000 14 4 no 0.000 0 0
1 88 LEU QD 9 no 100.0 99.9 5.515 5.520 0.006 43 21 no 0.116 0 0
1 89 GLN QB 178 no 30.0 24.2 0.003 0.012 0.009 1 1 no 0.375 0 0
1 89 GLN QG 111 no 60.0 58.8 0.441 0.750 0.309 11 3 yes 1.042 2 8
1 90 PRO QB 45 no 30.0 95.4 0.023 0.024 0.001 18 11 no 0.146 0 0
1 90 PRO QD 22 no 100.0 100.0 0.272 0.272 0.000 26 14 no 0.026 0 0
1 90 PRO QG 24 no 75.0 64.5 0.237 0.368 0.131 25 14 no 0.833 0 1
1 91 GLY QA 73 no 100.0 100.0 0.939 0.939 0.000 15 9 no 0.000 0 0
1 92 GLY QA 92 no 100.0 100.0 0.354 0.354 0.000 13 5 no 0.000 0 0
1 93 LYS QD 135 no 50.0 99.9 0.123 0.123 0.000 8 6 no 0.047 0 0
1 93 LYS QE 148 no 25.0 9.5 0.001 0.012 0.011 4 4 no 0.375 0 0
1 93 LYS QG 114 no 80.0 66.0 0.029 0.043 0.015 11 6 no 0.880 0 1
1 94 MET QB 50 no 100.0 99.9 0.065 0.066 0.000 18 13 no 0.028 0 0
1 94 MET QG 49 no 5.0 0.7 0.003 0.489 0.486 18 13 no 0.014 0 0
1 95 VAL QG 8 no 100.0 100.0 19.278 19.278 0.000 44 21 no 0.006 0 0
1 99 LYS QB 177 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 99 LYS QD 167 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 99 LYS QE 95 no 90.0 96.7 0.332 0.344 0.011 13 8 no 0.375 0 0
1 99 LYS QG 69 no 100.0 100.0 0.139 0.139 0.000 16 11 no 0.000 0 0
1 101 SER QB 36 no 50.0 12.2 0.009 0.076 0.067 20 7 no 0.116 0 0
1 102 VAL QG 12 no 100.0 99.4 15.308 15.398 0.089 40 13 no 0.558 0 1
1 103 PRO QB 91 yes 100.0 100.0 0.914 0.914 0.000 13 5 no 0.000 0 0
1 103 PRO QD 161 no 100.0 99.9 1.441 1.441 0.001 2 1 no 0.061 0 0
1 103 PRO QG 152 no 100.0 100.0 1.218 1.218 0.000 3 1 no 0.000 0 0
1 105 ILE QG 76 no 100.0 100.0 0.243 0.243 0.000 14 1 no 0.000 0 0
1 106 GLN QB 63 no 10.0 100.0 0.007 0.007 0.000 16 7 no 0.000 0 0
1 106 GLN QE 166 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 106 GLN QG 122 no 15.0 70.1 0.000 0.000 0.000 10 5 no 0.032 0 0
1 108 GLN QB 165 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 108 GLN QE 164 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 108 GLN QG 117 no 90.0 28.6 0.000 0.001 0.000 11 9 no 0.105 0 0
1 110 SER QB 70 no 50.0 2.6 0.001 0.020 0.019 15 4 no 0.453 0 0
1 112 MET QB 121 no 85.0 80.7 0.769 0.953 0.184 10 4 yes 1.042 2 6
1 112 MET QG 77 no 45.0 87.0 0.011 0.013 0.002 14 4 no 0.155 0 0
1 113 GLN QB 125 no 25.0 100.0 0.072 0.072 0.000 9 4 no 0.000 0 0
1 113 GLN QE 176 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 114 LEU QB 94 no 100.0 100.0 0.163 0.163 0.000 13 6 no 0.005 0 0
1 114 LEU QD 6 no 85.0 85.1 16.489 19.372 2.883 49 23 yes 2.149 22 38
1 115 SER QB 120 no 75.0 61.8 0.136 0.219 0.084 10 4 no 0.558 0 4
1 116 GLN QB 101 no 55.0 97.4 0.006 0.006 0.000 12 5 no 0.056 0 0
1 116 GLN QE 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 116 GLN QG 175 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 117 CYS QB 40 no 90.0 50.3 0.654 1.300 0.646 18 2 no 0.370 0 0
1 119 LYS QB 169 no 5.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 119 LYS QD 153 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 119 LYS QG 54 no 40.0 90.1 0.018 0.020 0.002 17 8 no 0.114 0 0
1 120 ASN QB 99 no 90.0 73.8 0.451 0.611 0.160 12 4 yes 1.229 2 2
1 120 ASN QD 139 no 40.0 64.1 0.023 0.036 0.013 7 4 no 0.481 0 0
1 121 LEU QB 28 no 100.0 0.0 0.000 0.000 0.000 23 9 no 0.000 0 0
1 121 LEU QD 2 no 100.0 99.8 24.738 24.782 0.044 63 31 no 0.745 0 1
1 122 GLY QA 83 no 100.0 100.0 0.155 0.155 0.000 14 9 no 0.000 0 0
1 125 LEU QB 44 no 100.0 100.0 0.365 0.365 0.000 18 11 no 0.000 0 0
1 125 LEU QD 7 no 100.0 100.0 14.482 14.482 0.001 47 30 no 0.062 0 0
1 127 GLU QB 98 no 85.0 100.0 0.001 0.001 0.000 12 2 no 0.000 0 0
1 127 GLU QG 174 no 15.0 41.5 0.031 0.074 0.043 1 1 no 0.000 0 0
1 128 LEU QB 21 no 100.0 99.3 0.153 0.154 0.001 26 12 no 0.264 0 0
1 128 LEU QD 5 no 90.0 84.0 6.080 7.236 1.156 54 33 yes 2.063 7 15
1 129 ARG QB 32 no 100.0 99.8 1.393 1.395 0.002 21 7 no 0.078 0 0
1 129 ARG QD 140 no 100.0 0.0 0.000 0.000 0.000 6 3 no 0.000 0 0
1 129 ARG QG 62 no 100.0 100.0 0.558 0.558 0.000 16 7 no 0.000 0 0
1 133 GLN QB 97 no 95.0 100.0 0.039 0.039 0.000 12 2 no 0.006 0 0
1 133 GLN QE 147 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 133 GLN QG 113 no 30.0 80.2 0.004 0.005 0.001 11 6 no 0.134 0 0
1 134 LYS QB 26 no 100.0 97.8 0.124 0.127 0.003 24 16 no 0.213 0 0
1 134 LYS QD 163 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 134 LYS QE 85 no 30.0 38.6 0.093 0.240 0.147 14 10 yes 1.275 3 3
1 134 LYS QG 23 no 90.0 100.0 0.226 0.226 0.000 26 15 no 0.018 0 0
1 136 GLN QB 51 no 100.0 100.0 0.524 0.524 0.000 17 6 no 0.015 0 0
1 136 GLN QE 144 no 55.0 99.8 0.293 0.293 0.001 5 3 no 0.101 0 0
1 136 GLN QG 43 no 55.0 96.2 0.279 0.290 0.011 18 9 no 0.185 0 0
1 137 GLU QB 96 no 15.0 100.0 0.009 0.009 0.000 13 9 no 0.000 0 0
1 137 GLU QG 55 no 65.0 41.2 0.054 0.131 0.077 17 9 no 0.875 0 4
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