NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454381 |
2yud   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2yud
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 262
_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 0.055
_Stereo_assign_list.Total_e_high_states 662.991
_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 VAL QG 208 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.191 0 0
1 9 ARG QD 256 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 VAL QG 255 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.087 0 0
1 12 ARG QD 254 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 ARG QG 207 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 ASP QB 253 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 GLN QE 129 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.005 0 0
1 15 GLN QG 128 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 18 LYS QB 159 no 100.0 100.0 1.926 1.926 0.000 6 2 no 0.000 0 0
1 18 LYS QD 206 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 LYS QE 41 no 100.0 100.0 1.774 1.774 0.000 16 4 no 0.007 0 0
1 18 LYS QG 205 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 19 LEU QB 34 no 100.0 100.0 0.536 0.536 0.000 18 9 no 0.023 0 0
1 19 LEU QD 18 no 100.0 100.0 26.254 26.255 0.001 26 5 no 0.039 0 0
1 20 LYS QB 133 no 100.0 100.0 3.217 3.217 0.000 7 1 no 0.001 0 0
1 20 LYS QD 126 no 100.0 100.0 2.120 2.120 0.000 8 5 no 0.021 0 0
1 20 LYS QE 262 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 20 LYS QG 67 no 100.0 100.0 2.036 2.036 0.000 13 7 no 0.003 0 0
1 21 TYR QB 70 no 100.0 100.0 1.578 1.578 0.000 12 1 no 0.029 0 0
1 22 VAL QG 10 no 100.0 100.0 28.172 28.172 0.000 37 9 no 0.021 0 0
1 23 LEU QB 80 no 100.0 100.0 1.381 1.381 0.000 12 4 no 0.000 0 0
1 23 LEU QD 8 no 100.0 100.0 23.948 23.953 0.005 38 9 no 0.075 0 0
1 24 GLN QB 57 no 100.0 100.0 0.925 0.925 0.000 14 5 no 0.000 0 0
1 24 GLN QE 214 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 24 GLN QG 120 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 25 ASP QB 23 no 100.0 100.0 1.369 1.369 0.000 22 11 no 0.011 0 0
1 27 ARG QB 117 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 27 ARG QD 204 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 27 ARG QG 149 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.044 0 0
1 28 PHE QB 96 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.013 0 0
1 29 PHE QB 252 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 LEU QB 125 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 30 LEU QD 44 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 31 ILE QG 106 no 100.0 100.0 2.442 2.442 0.000 9 3 no 0.000 0 0
1 32 LYS QB 63 no 100.0 100.0 4.036 4.036 0.000 13 2 no 0.016 0 0
1 32 LYS QD 203 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 32 LYS QE 213 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 32 LYS QG 116 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 33 SER QB 202 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 35 ASN QB 251 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 35 ASN QD 165 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.020 0 0
1 36 HIS QB 217 no 100.0 100.0 1.144 1.144 0.000 3 0 no 0.003 0 0
1 37 GLU QB 201 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 37 GLU QG 99 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.007 0 0
1 38 ASN QB 250 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 ASN QD 40 no 100.0 100.0 4.022 4.022 0.000 16 4 no 0.016 0 0
1 39 VAL QG 69 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 40 SER QB 131 no 100.0 100.0 0.738 0.738 0.000 7 0 no 0.000 0 0
1 41 LEU QB 56 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.024 0 0
1 41 LEU QD 22 no 100.0 0.0 0.000 0.000 0.000 22 8 no 0.013 0 0
1 43 LYS QB 200 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 LYS QE 164 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 43 LYS QG 199 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 45 LYS QB 37 no 100.0 100.0 1.453 1.453 0.000 17 8 no 0.005 0 0
1 45 LYS QD 49 no 100.0 100.0 1.204 1.204 0.000 15 5 no 0.011 0 0
1 45 LYS QE 83 no 100.0 100.0 0.469 0.469 0.000 12 5 no 0.000 0 0
1 45 LYS QG 47 no 100.0 100.0 1.806 1.806 0.000 15 2 no 0.000 0 0
1 46 GLY QA 52 no 100.0 100.0 1.235 1.235 0.000 14 3 no 0.012 0 0
1 47 VAL QG 9 no 100.0 100.0 46.536 46.536 0.000 37 9 no 0.014 0 0
1 48 TRP QB 198 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 49 SER QB 24 no 100.0 100.0 1.024 1.024 0.000 21 8 no 0.000 0 0
1 51 LEU QB 30 no 100.0 100.0 1.000 1.000 0.000 19 12 no 0.000 0 0
1 51 LEU QD 13 no 100.0 100.0 10.085 10.086 0.000 33 14 no 0.043 0 0
1 52 PRO QB 249 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 PRO QD 59 no 100.0 100.0 1.019 1.019 0.000 14 8 no 0.000 0 0
1 52 PRO QG 168 no 100.0 100.0 2.349 2.349 0.000 5 3 no 0.000 0 0
1 53 VAL QG 19 no 100.0 100.0 27.536 27.536 0.000 26 12 no 0.008 0 0
1 54 ASN QB 55 no 100.0 100.0 1.133 1.133 0.000 14 4 no 0.007 0 0
1 54 ASN QD 38 no 100.0 100.0 0.841 0.841 0.000 17 9 no 0.000 0 0
1 55 GLU QB 148 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 55 GLU QG 261 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 56 LYS QB 136 no 100.0 99.8 3.556 3.563 0.007 7 2 no 0.086 0 0
1 56 LYS QD 119 no 100.0 99.9 1.196 1.196 0.001 8 2 no 0.025 0 0
1 56 LYS QG 150 no 100.0 100.0 2.228 2.228 0.000 6 1 no 0.001 0 0
1 57 LYS QB 28 no 100.0 100.0 0.937 0.937 0.000 19 4 no 0.000 0 0
1 57 LYS QD 197 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
1 57 LYS QE 260 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 57 LYS QG 88 no 100.0 100.0 0.753 0.753 0.000 11 1 no 0.022 0 0
1 58 LEU QB 64 no 100.0 100.0 1.622 1.622 0.000 13 4 no 0.000 0 0
1 58 LEU QD 16 no 100.0 0.0 0.000 0.000 0.000 28 14 no 0.005 0 0
1 59 ASN QB 147 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 59 ASN QD 36 no 100.0 100.0 2.121 2.121 0.001 17 4 no 0.029 0 0
1 60 LEU QB 93 no 100.0 100.0 2.016 2.016 0.000 11 4 no 0.000 0 0
1 60 LEU QD 29 no 100.0 100.0 16.559 16.560 0.000 19 8 no 0.011 0 0
1 62 PHE QB 107 no 100.0 100.0 1.813 1.813 0.000 9 4 no 0.000 0 0
1 63 ARG QB 196 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 ARG QD 158 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.014 0 0
1 63 ARG QG 68 no 100.0 100.0 1.520 1.520 0.000 12 0 no 0.007 0 0
1 64 SER QB 195 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 ARG QB 124 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.011 0 0
1 66 ARG QD 123 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.001 0 0
1 66 ARG QG 146 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
1 67 SER QB 46 no 100.0 100.0 1.318 1.318 0.000 15 2 no 0.010 0 0
1 68 VAL QG 26 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.010 0 0
1 69 ILE QG 194 no 100.0 100.0 2.150 2.150 0.000 4 0 no 0.002 0 0
1 70 LEU QB 48 no 100.0 100.0 1.474 1.474 0.000 15 5 no 0.001 0 0
1 70 LEU QD 4 no 100.0 100.0 28.223 28.223 0.000 45 15 no 0.005 0 0
1 71 ILE QG 54 no 100.0 100.0 1.315 1.315 0.000 14 4 no 0.002 0 0
1 72 PHE QB 193 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 73 SER QB 248 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 VAL QG 50 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.000 0 0
1 75 ARG QB 259 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 75 ARG QD 118 no 100.0 100.0 0.625 0.625 0.000 8 2 no 0.005 0 0
1 75 ARG QG 192 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.031 0 0
1 76 GLU QB 247 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 GLU QG 246 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 77 SER QB 115 no 0.0 0.0 0.000 0.000 0.000 8 0 no 0.028 0 0
1 78 GLY QA 245 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 LYS QB 62 no 100.0 100.0 0.972 0.972 0.000 13 2 no 0.006 0 0
1 79 LYS QD 127 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.003 0 0
1 79 LYS QE 109 no 100.0 100.0 1.100 1.100 0.000 9 5 no 0.005 0 0
1 79 LYS QG 78 no 100.0 100.0 1.149 1.149 0.000 12 3 no 0.008 0 0
1 80 PHE QB 145 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 81 GLN QE 244 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 82 GLY QA 191 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 83 PHE QB 53 no 100.0 100.0 0.609 0.609 0.000 14 4 no 0.007 0 0
1 85 ARG QB 77 no 100.0 100.0 1.134 1.134 0.000 12 3 no 0.005 0 0
1 85 ARG QD 122 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.018 0 0
1 85 ARG QG 243 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 ARG QH1 242 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 LEU QB 17 no 100.0 100.0 1.725 1.725 0.000 27 11 no 0.000 0 0
1 86 LEU QD 6 no 100.0 100.0 23.718 23.718 0.000 41 17 no 0.008 0 0
1 87 SER QB 92 no 100.0 100.0 0.858 0.858 0.000 11 4 no 0.008 0 0
1 88 SER QB 33 no 100.0 100.0 1.430 1.430 0.000 18 7 no 0.006 0 0
1 89 GLU QB 135 no 100.0 100.0 3.011 3.011 0.000 7 2 no 0.013 0 0
1 89 GLU QG 114 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.011 0 0
1 90 SER QB 190 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 91 HIS QB 157 no 100.0 100.0 2.302 2.302 0.000 6 2 no 0.001 0 0
1 96 PRO QB 241 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 96 PRO QD 240 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 PRO QG 189 no 100.0 100.0 0.633 0.633 0.000 4 0 no 0.000 0 0
1 97 ILE QG 113 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 98 HIS QB 239 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 TRP QB 76 no 100.0 100.0 0.599 0.599 0.000 12 3 no 0.000 0 0
1 100 VAL QG 45 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.016 0 0
1 101 LEU QB 39 no 100.0 100.0 1.897 1.897 0.001 17 12 no 0.113 0 0
1 101 LEU QD 2 no 100.0 100.0 35.713 35.713 0.000 49 21 no 0.020 0 0
1 102 PRO QB 216 no 100.0 100.0 0.564 0.564 0.000 3 0 no 0.000 0 0
1 102 PRO QD 27 no 100.0 100.0 2.488 2.488 0.000 20 12 no 0.051 0 0
1 102 PRO QG 209 no 100.0 100.0 1.343 1.343 0.000 4 1 no 0.002 0 0
1 105 MET QB 86 no 100.0 0.0 0.000 0.000 0.000 12 10 no 0.002 0 0
1 105 MET QG 95 no 0.0 0.0 0.000 0.000 0.000 10 0 no 0.014 0 0
1 106 SER QB 32 no 100.0 100.0 1.739 1.739 0.000 18 7 no 0.018 0 0
1 108 LYS QB 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 108 LYS QD 238 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 LYS QG 163 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 109 MET QB 138 no 100.0 100.0 1.179 1.179 0.000 7 3 no 0.000 0 0
1 109 MET QG 25 no 100.0 100.0 3.443 3.443 0.000 21 9 no 0.018 0 0
1 110 LEU QB 58 no 100.0 100.0 0.669 0.669 0.000 14 8 no 0.005 0 0
1 110 LEU QD 20 no 100.0 0.0 0.000 0.000 0.000 24 12 no 0.009 0 0
1 111 GLY QA 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 112 GLY QA 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
1 113 VAL QG 74 no 0.0 0.0 0.000 0.000 0.000 12 2 no 0.015 0 0
1 114 PHE QB 91 no 100.0 100.0 1.092 1.092 0.000 11 3 no 0.008 0 0
1 115 LYS QB 102 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.006 0 0
1 115 LYS QD 258 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.005 0 0
1 115 LYS QE 211 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.007 0 0
1 115 LYS QG 75 no 100.0 100.0 1.076 1.076 0.000 12 3 no 0.026 0 0
1 116 ILE QG 156 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 117 ASP QB 97 no 100.0 100.0 1.222 1.222 0.000 10 3 no 0.010 0 0
1 118 TRP QB 112 no 100.0 99.9 0.777 0.778 0.001 8 0 no 0.074 0 0
1 119 ILE QG 51 no 100.0 100.0 2.208 2.208 0.000 14 2 no 0.003 0 0
1 120 CYS QB 186 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.131 0 0
1 121 ARG QG 121 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.010 0 0
1 122 ARG QB 236 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 122 ARG QD 185 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 122 ARG QG 235 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 123 GLU QB 108 no 100.0 100.0 0.431 0.431 0.000 9 5 no 0.003 0 0
1 123 GLU QG 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 124 LEU QB 90 no 100.0 100.0 1.862 1.862 0.000 11 3 no 0.006 0 0
1 124 LEU QD 1 no 100.0 100.0 32.839 32.840 0.001 50 21 no 0.039 0 0
1 125 PRO QB 65 no 100.0 99.8 10.022 10.040 0.018 13 5 no 0.155 0 0
1 125 PRO QD 84 no 100.0 100.0 1.245 1.245 0.000 12 6 no 0.000 0 0
1 126 PHE QB 215 no 100.0 100.0 0.680 0.680 0.000 3 0 no 0.000 0 0
1 128 LYS QB 137 no 100.0 100.0 0.551 0.551 0.000 7 3 no 0.000 0 0
1 128 LYS QD 155 no 0.0 0.0 0.000 0.000 0.000 6 2 no 0.034 0 0
1 128 LYS QE 257 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.015 0 0
1 128 LYS QG 43 no 100.0 100.0 2.130 2.131 0.000 16 8 no 0.028 0 0
1 129 SER QB 60 no 100.0 0.0 0.000 0.000 0.000 14 10 no 0.033 0 0
1 131 HIS QB 167 no 100.0 100.0 1.832 1.832 0.000 5 1 no 0.000 0 0
1 132 LEU QB 85 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.024 0 0
1 132 LEU QD 3 no 100.0 100.0 42.111 42.111 0.000 46 17 no 0.033 0 0
1 134 ASN QB 234 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 134 ASN QD 105 no 100.0 100.0 1.062 1.062 0.000 9 1 no 0.006 0 0
1 135 PRO QB 144 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 135 PRO QD 132 no 100.0 100.0 4.129 4.129 0.000 7 1 no 0.006 0 0
1 135 PRO QG 73 no 100.0 100.0 1.972 1.972 0.000 12 2 no 0.006 0 0
1 136 TRP QB 233 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 137 ASN QD 210 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 138 GLU QB 130 no 100.0 100.0 0.295 0.295 0.000 7 0 no 0.006 0 0
1 138 GLU QG 111 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.010 0 0
1 140 LYS QD 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 140 LYS QE 143 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
1 140 LYS QG 231 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 PRO QB 104 no 100.0 100.0 0.309 0.309 0.000 9 1 no 0.000 0 0
1 141 PRO QD 230 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 PRO QG 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 142 VAL QG 11 no 100.0 100.0 26.772 26.772 0.000 36 10 no 0.013 0 0
1 143 LYS QB 183 no 100.0 100.0 1.034 1.034 0.000 4 0 no 0.008 0 0
1 143 LYS QD 228 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 143 LYS QE 101 no 100.0 100.0 0.600 0.600 0.000 10 6 no 0.000 0 0
1 143 LYS QG 162 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 144 ILE QG 72 no 100.0 100.0 1.326 1.326 0.000 12 2 no 0.016 0 0
1 145 GLY QA 154 no 100.0 100.0 1.266 1.266 0.000 6 2 no 0.000 0 0
1 146 ARG QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 146 ARG QD 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 146 ARG QG 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 147 ASP QB 153 no 100.0 0.0 0.000 0.005 0.005 6 2 no 0.142 0 0
1 148 GLY QA 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 149 GLN QB 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 GLN QE 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 150 GLU QB 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.012 0 0
1 150 GLU QG 142 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 151 ILE QG 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 152 GLU QB 89 no 100.0 100.0 1.498 1.498 0.000 11 3 no 0.010 0 0
1 152 GLU QG 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 153 LEU QB 98 no 100.0 100.0 0.418 0.418 0.000 10 4 no 0.000 0 0
1 153 LEU QD 31 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.014 0 0
1 154 GLU QB 134 no 100.0 100.0 5.948 5.948 0.000 7 2 no 0.004 0 0
1 154 GLU QG 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 155 CYS QB 110 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 156 GLY QA 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 158 GLN QB 100 no 100.0 100.0 2.896 2.896 0.000 10 6 no 0.000 0 0
1 158 GLN QE 35 no 100.0 100.0 6.953 6.953 0.000 18 11 no 0.007 0 0
1 158 GLN QG 42 no 100.0 100.0 0.423 0.423 0.000 16 5 no 0.004 0 0
1 159 LEU QB 82 no 100.0 100.0 1.293 1.293 0.000 12 5 no 0.016 0 0
1 159 LEU QD 5 no 100.0 100.0 27.616 27.617 0.000 44 19 no 0.033 0 0
1 160 CYS QB 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 LEU QB 152 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 161 LEU QD 7 no 100.0 100.0 27.176 27.177 0.001 39 16 no 0.039 0 0
1 162 LEU QB 66 no 100.0 100.0 2.535 2.535 0.000 13 7 no 0.013 0 0
1 162 LEU QD 15 no 100.0 100.0 9.955 9.955 0.000 28 11 no 0.014 0 0
1 163 PHE QB 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 164 PRO QB 212 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 164 PRO QD 151 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 165 PRO QB 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 165 PRO QD 161 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 165 PRO QG 223 no 100.0 99.9 0.367 0.367 0.000 2 0 no 0.032 0 0
1 166 ASP QB 140 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 167 GLU QB 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 167 GLU QG 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 168 SER QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.067 0 0
1 169 ILE QG 103 no 100.0 99.9 0.237 0.237 0.000 9 0 no 0.016 0 0
1 170 ASP QB 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 171 LEU QB 160 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 171 LEU QD 12 no 100.0 100.0 26.541 26.542 0.000 34 15 no 0.023 0 0
1 172 TYR QB 81 no 100.0 100.0 5.779 5.779 0.000 12 5 no 0.015 0 0
1 173 GLN QB 94 no 100.0 100.0 2.434 2.434 0.000 11 6 no 0.000 0 0
1 173 GLN QE 166 no 100.0 100.0 2.230 2.230 0.000 6 5 no 0.000 0 0
1 173 GLN QG 79 no 100.0 100.0 0.717 0.717 0.000 12 4 no 0.001 0 0
1 174 VAL QG 14 no 100.0 100.0 24.343 24.343 0.000 28 11 no 0.055 0 0
1 175 ILE QG 21 no 100.0 100.0 3.701 3.701 0.000 22 3 no 0.007 0 0
1 176 HIS QB 61 no 100.0 100.0 3.565 3.565 0.000 13 2 no 0.007 0 0
1 177 LYS QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 177 LYS QD 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 177 LYS QE 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 177 LYS QG 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.076 0 0
1 178 MET QB 87 no 100.0 100.0 4.460 4.460 0.000 11 0 no 0.011 0 0
1 178 MET QG 71 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.036 0 0
1 179 ARG QB 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 179 ARG QD 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 179 ARG QG 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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