NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
453613 |
2yt1   |
10239 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2yt1
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 220
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.5
_Stereo_assign_list.Deassign_count 2
_Stereo_assign_list.Deassign_percentage 0.9
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 4.093
_Stereo_assign_list.Total_e_high_states 527.603
_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 ASP QB 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 VAL QG 21 no 100.0 100.0 16.918 16.918 0.000 22 8 no 0.016 0 0
1 13 PRO QB 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 PRO QG 154 no 100.0 100.0 0.630 0.630 0.000 4 0 no 0.002 0 0
1 14 GLU QB 92 no 100.0 100.0 1.763 1.763 0.000 7 0 no 0.009 0 0
1 14 GLU QG 81 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 15 GLU QB 71 no 100.0 100.0 0.927 0.927 0.000 9 2 no 0.005 0 0
1 15 GLU QG 163 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.129 0 0
1 16 ARG QD 162 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 16 ARG QG 117 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 17 HIS QB 153 no 100.0 100.0 1.806 1.806 0.000 4 0 no 0.019 0 0
1 18 LEU QB 116 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 18 LEU QD 8 no 100.0 100.0 11.066 11.066 0.000 32 6 no 0.000 0 0
1 19 SER QB 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 LYS QB 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 LYS QD 108 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 20 LYS QE 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.032 0 0
1 20 LYS QG 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 MET QB 115 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 21 MET QG 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 GLN QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.011 0 0
1 22 GLN QE 91 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.006 0 0
1 22 GLN QG 220 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 23 GLN QB 80 no 100.0 100.0 1.068 1.068 0.000 8 0 no 0.000 0 0
1 23 GLN QG 107 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 24 ASN QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.024 0 0
1 24 ASN QD 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 GLY QA 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 26 TYR QB 106 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.020 0 0
1 27 GLU QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 27 GLU QG 65 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.033 0 0
1 28 ASN QB 161 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 28 ASN QD 85 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.016 0 0
1 29 PRO QD 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 29 PRO QG 118 no 100.0 100.0 0.685 0.685 0.000 5 0 no 0.000 0 0
1 31 TYR QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 32 LYS QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 LYS QD 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 32 LYS QG 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.069 0 0
1 33 PHE QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 34 PHE QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.048 0 0
1 35 GLU QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 35 GLU QG 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 GLN QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 GLN QG 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 MET QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 MET QG 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.033 0 0
1 38 GLN QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 GLN QG 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 40 SER QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 ILE QG 202 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.078 0 0
1 47 GLU QG 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 ARG QG 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 PRO QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 PRO QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 PRO QD 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.046 0 0
1 66 LYS QD 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
1 66 LYS QG 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 68 GLU QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 68 GLU QG 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 69 LEU QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 69 LEU QD 137 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 70 VAL QG 52 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 71 GLN QB 43 no 100.0 100.0 1.117 1.117 0.000 13 4 no 0.000 0 0
1 71 GLN QE 61 no 100.0 100.0 1.303 1.303 0.000 11 6 no 0.000 0 0
1 71 GLN QG 48 no 100.0 100.0 1.269 1.269 0.000 12 2 no 0.001 0 0
1 72 LYS QB 51 no 100.0 99.9 0.594 0.594 0.000 12 4 no 0.071 0 0
1 72 LYS QD 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 LYS QE 165 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.071 0 0
1 72 LYS QG 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 73 PHE QB 90 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.030 0 0
1 74 ARG QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 ARG QD 193 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.127 0 0
1 74 ARG QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 VAL QG 9 no 100.0 100.0 16.538 16.538 0.000 31 8 no 0.009 0 0
1 76 GLN QB 23 no 100.0 100.0 3.571 3.571 0.000 21 11 no 0.000 0 0
1 76 GLN QE 37 no 100.0 100.0 1.807 1.807 0.000 15 9 no 0.009 0 0
1 76 GLN QG 31 no 100.0 100.0 3.083 3.083 0.000 17 5 no 0.001 0 0
1 77 TYR QB 72 no 100.0 100.0 1.672 1.672 0.000 9 5 no 0.000 0 0
1 78 LEU QB 45 no 100.0 100.0 2.251 2.251 0.000 13 5 no 0.000 0 0
1 78 LEU QD 1 no 100.0 100.0 43.268 43.268 0.000 53 15 no 0.010 0 0
1 79 GLY QA 89 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 80 MET QB 79 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.011 0 0
1 80 MET QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 LEU QB 25 no 100.0 100.0 1.869 1.869 0.000 20 13 no 0.022 0 0
1 81 LEU QD 10 no 100.0 100.0 10.309 10.309 0.000 31 18 no 0.004 0 0
1 82 PRO QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 PRO QD 56 no 100.0 100.0 0.985 0.985 0.000 12 8 no 0.022 0 0
1 82 PRO QG 219 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 83 VAL QG 14 no 100.0 100.0 29.733 29.733 0.000 28 7 no 0.009 0 0
1 84 ASP QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 ARG QB 60 no 100.0 100.0 1.146 1.146 0.000 11 5 no 0.000 0 0
1 85 ARG QD 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 ARG QG 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 86 PRO QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 PRO QD 41 no 100.0 100.0 0.821 0.821 0.000 14 5 no 0.000 0 0
1 86 PRO QG 160 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 87 VAL QG 15 no 100.0 100.0 19.943 19.943 0.000 28 11 no 0.011 0 0
1 88 GLY QA 159 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 89 MET QG 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 ASP QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 LEU QB 88 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 92 LEU QD 4 no 100.0 88.6 13.866 15.646 1.780 38 5 yes 1.714 2 2
1 93 ASN QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.020 0 0
1 93 ASN QD 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 SER QB 132 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.106 0 0
1 96 ILE QG 84 no 100.0 100.0 1.839 1.839 0.000 8 2 no 0.000 0 0
1 97 GLU QB 155 no 100.0 100.0 3.065 3.065 0.000 4 1 no 0.002 0 0
1 97 GLU QG 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.012 0 0
1 98 ASN QB 22 no 100.0 100.0 3.280 3.280 0.000 21 10 no 0.002 0 0
1 98 ASN QD 54 no 100.0 100.0 1.752 1.752 0.000 12 7 no 0.002 0 0
1 99 LEU QB 158 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 99 LEU QD 2 no 100.0 100.0 17.465 17.465 0.000 43 19 no 0.004 0 0
1 100 MET QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 MET QG 33 no 100.0 0.0 0.000 0.000 0.000 16 2 no 0.000 0 0
1 102 SER QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 SER QB 87 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 104 SER QB 78 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.002 0 0
1 105 LYS QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 LYS QE 68 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.006 0 0
1 105 LYS QG 53 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.008 0 0
1 106 GLU QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 106 GLU QG 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 107 ASP QB 67 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.001 0 0
1 108 TRP QB 32 no 100.0 100.0 0.835 0.835 0.000 17 12 no 0.009 0 0
1 109 PRO QB 157 no 100.0 100.0 1.206 1.206 0.000 4 2 no 0.015 0 0
1 109 PRO QD 114 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 109 PRO QG 86 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 110 SER QB 156 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.004 0 0
1 111 VAL QG 16 no 100.0 100.0 9.179 9.179 0.000 27 11 no 0.004 0 0
1 112 ASN QB 102 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 112 ASN QD 40 no 100.0 100.0 2.571 2.571 0.000 14 4 no 0.000 0 0
1 113 MET QB 83 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.004 0 0
1 113 MET QG 39 no 100.0 100.0 2.373 2.373 0.000 14 4 no 0.000 0 0
1 114 ASN QB 47 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 114 ASN QD 29 no 100.0 100.0 2.591 2.591 0.000 18 8 no 0.000 0 0
1 115 VAL QG 19 no 100.0 100.0 26.486 26.486 0.000 24 4 no 0.000 0 0
1 117 ASP QB 70 no 100.0 100.0 0.646 0.646 0.000 9 0 no 0.000 0 0
1 120 VAL QG 28 no 100.0 100.0 24.212 24.212 0.000 18 4 no 0.000 0 0
1 122 VAL QG 18 no 100.0 100.0 27.205 27.205 0.000 25 5 no 0.001 0 0
1 123 ILE QG 35 no 100.0 100.0 1.062 1.062 0.000 16 4 no 0.001 0 0
1 124 SER QB 24 no 100.0 100.0 1.872 1.872 0.000 20 10 no 0.000 0 0
1 125 GLU QB 183 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.029 0 0
1 125 GLU QG 66 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 126 LYS QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 126 LYS QG 181 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.105 0 0
1 127 ASN QB 55 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.027 0 0
1 127 ASN QD 164 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 128 GLU QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.059 0 0
1 128 GLU QG 101 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.033 0 0
1 129 GLU QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.028 0 0
1 129 GLU QG 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 130 GLU QB 27 no 100.0 100.0 0.570 0.570 0.000 19 10 no 0.000 0 0
1 130 GLU QG 69 no 100.0 100.0 1.177 1.177 0.000 10 5 no 0.003 0 0
1 131 VAL QG 26 no 100.0 100.0 14.041 14.041 0.000 19 1 no 0.010 0 0
1 132 LEU QB 42 no 100.0 100.0 1.448 1.448 0.000 14 8 no 0.001 0 0
1 132 LEU QD 12 no 100.0 100.0 10.942 10.942 0.000 30 15 no 0.007 0 0
1 133 VAL QG 13 no 100.0 100.0 24.180 24.180 0.000 28 5 no 0.003 0 0
1 134 GLU QB 110 no 100.0 100.0 0.854 0.854 0.000 6 1 no 0.000 0 0
1 134 GLU QG 77 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 135 CYS QB 34 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.001 0 0
1 136 ARG QB 50 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.009 0 0
1 136 ARG QD 49 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 136 ARG QG 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 137 VAL QG 11 no 100.0 100.0 15.864 15.864 0.000 30 5 no 0.038 0 0
1 138 ARG QB 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 138 ARG QD 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.009 0 0
1 138 ARG QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.037 0 0
1 139 PHE QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.082 0 0
1 140 LEU QB 113 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 140 LEU QD 5 no 100.0 100.0 13.734 13.734 0.000 38 11 no 0.001 0 0
1 141 SER QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 142 PHE QB 38 no 100.0 100.0 1.806 1.806 0.000 14 3 no 0.000 0 0
1 142 PHE QD 109 yes 90.0 89.1 18.806 21.108 2.302 6 1 yes 3.505 8 10
1 143 MET QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 143 MET QG 57 no 100.0 100.0 2.186 2.186 0.000 11 2 no 0.000 0 0
1 144 GLY QA 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 VAL QG 3 no 100.0 100.0 24.219 24.219 0.000 39 8 no 0.006 0 0
1 146 GLY QA 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 LYS QB 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 147 LYS QG 99 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.028 0 0
1 148 ASP QB 63 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 149 VAL QG 17 no 100.0 100.0 16.925 16.925 0.000 26 7 no 0.006 0 0
1 150 HIS QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 152 PHE QB 64 no 100.0 100.0 0.974 0.974 0.000 10 2 no 0.000 0 0
1 154 PHE QB 112 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 155 ILE QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 156 MET QB 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 156 MET QG 30 no 100.0 100.0 0.457 0.457 0.000 17 0 no 0.005 0 0
1 157 ASP QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
1 160 ASN QB 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 160 ASN QD 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 GLN QB 76 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.049 0 0
1 161 GLN QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 162 ARG QD 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.073 0 0
1 162 ARG QG 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 163 PHE QB 82 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.003 0 0
1 164 GLU QB 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 165 CYS QB 44 no 100.0 100.0 2.333 2.333 0.000 13 5 no 0.000 0 0
1 166 HIS QB 36 no 100.0 100.0 2.086 2.086 0.000 15 0 no 0.010 0 0
1 167 VAL QG 6 no 100.0 100.0 17.694 17.694 0.000 36 8 no 0.004 0 0
1 168 PHE QB 58 no 100.0 100.0 0.440 0.440 0.000 11 3 no 0.000 0 0
1 169 TRP QB 46 no 100.0 100.0 2.066 2.066 0.000 13 7 no 0.000 0 0
1 170 CYS QB 75 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 171 GLU QB 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 171 GLU QG 74 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.002 0 0
1 172 PRO QD 167 no 100.0 100.0 0.447 0.447 0.000 2 0 no 0.000 0 0
1 172 PRO QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.038 0 0
1 173 ASN QB 111 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 173 ASN QD 59 no 100.0 100.0 1.218 1.218 0.000 11 4 no 0.001 0 0
1 176 ASN QB 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 176 ASN QD 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 177 VAL QG 7 no 100.0 100.0 16.708 16.708 0.000 34 8 no 0.004 0 0
1 178 SER QB 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 179 GLU QB 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
1 179 GLU QG 62 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.165 0 0
1 181 VAL QG 20 no 100.0 100.0 14.687 14.687 0.000 23 2 no 0.005 0 0
1 182 GLN QE 94 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 182 GLN QG 73 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 185 CYS QB 93 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
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