NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402813 |
1wfs   |
10055 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1wfs
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 232
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.4
_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 0.022
_Stereo_assign_list.Total_e_high_states 373.596
_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 SER QB 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 ASP QB 231 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 LEU QB 120 no 100.0 100.0 1.195 1.195 0.000 10 3 no 0.000 0 0
1 11 LEU QD 11 no 100.0 100.0 3.143 3.143 0.000 24 7 no 0.001 0 0
1 12 VAL QG 68 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.004 0 0
1 14 CYS QB 119 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.039 0 0
1 15 GLU QB 230 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.091 0 0
1 15 GLU QG 161 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.113 0 0
1 16 VAL QG 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 ASP QB 3 no 100.0 100.0 6.401 6.401 0.000 32 14 no 0.004 0 0
1 18 PRO QB 228 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 PRO QD 67 no 100.0 100.0 0.884 0.884 0.000 14 6 no 0.013 0 0
1 18 PRO QG 200 no 100.0 100.0 1.147 1.147 0.000 4 0 no 0.011 0 0
1 19 GLU QB 199 no 100.0 99.3 0.500 0.504 0.003 4 0 no 0.066 0 0
1 19 GLU QG 148 no 100.0 99.9 0.821 0.821 0.000 7 1 no 0.038 0 0
1 20 LEU QB 122 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 20 LEU QD 93 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.033 0 0
1 21 LYS QB 61 no 100.0 100.0 1.801 1.801 0.000 15 3 no 0.000 0 0
1 21 LYS QD 167 no 100.0 100.0 4.561 4.561 0.000 6 3 no 0.000 0 0
1 21 LYS QE 166 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.006 0 0
1 21 LYS QG 100 no 100.0 100.0 1.769 1.769 0.000 11 0 no 0.015 0 0
1 22 GLU QB 114 no 100.0 100.0 2.734 2.734 0.000 10 1 no 0.000 0 0
1 22 GLU QG 60 no 100.0 100.0 1.059 1.059 0.000 15 3 no 0.003 0 0
1 24 LEU QB 37 no 100.0 100.0 2.360 2.360 0.000 18 4 no 0.024 0 0
1 24 LEU QD 56 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.017 0 0
1 25 ARG QB 66 no 100.0 100.0 0.796 0.796 0.000 14 4 no 0.000 0 0
1 25 ARG QD 211 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 25 ARG QG 160 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 26 LYS QB 130 no 100.0 100.0 2.081 2.081 0.000 9 2 no 0.000 0 0
1 26 LYS QE 207 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.012 0 0
1 26 LYS QG 84 no 100.0 100.0 0.524 0.524 0.000 12 0 no 0.014 0 0
1 27 PHE QB 113 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 28 ARG QB 75 no 100.0 100.0 1.363 1.363 0.000 13 2 no 0.000 0 0
1 28 ARG QD 49 no 100.0 100.0 2.252 2.253 0.000 17 6 no 0.024 0 0
1 28 ARG QG 64 no 100.0 100.0 1.956 1.956 0.000 14 2 no 0.011 0 0
1 29 PHE QB 136 no 100.0 100.0 2.192 2.192 0.000 8 0 no 0.007 0 0
1 30 ARG QB 77 no 100.0 100.0 3.135 3.135 0.000 13 3 no 0.044 0 0
1 30 ARG QD 46 no 100.0 100.0 1.451 1.451 0.000 17 4 no 0.041 0 0
1 30 ARG QG 112 no 100.0 100.0 2.157 2.157 0.000 10 0 no 0.011 0 0
1 30 ARG QH1 174 yes 100.0 100.0 0.843 0.843 0.000 5 0 no 0.027 0 0
1 30 ARG QH2 198 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 31 LYS QB 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 31 LYS QD 197 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 31 LYS QG 196 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 32 GLU QB 195 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.030 0 0
1 32 GLU QG 194 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 34 ASN QB 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 ASN QD 32 no 100.0 100.0 1.036 1.036 0.000 19 8 no 0.021 0 0
1 35 ASN QB 21 no 100.0 100.0 2.344 2.344 0.000 21 2 no 0.040 0 0
1 35 ASN QD 36 no 100.0 100.0 2.038 2.038 0.000 18 4 no 0.023 0 0
1 38 ILE QG 9 no 100.0 100.0 4.131 4.131 0.000 24 5 no 0.018 0 0
1 39 ILE QG 79 no 100.0 100.0 1.525 1.525 0.000 13 4 no 0.056 0 0
1 40 MET QB 16 no 100.0 100.0 1.755 1.755 0.000 23 8 no 0.000 0 0
1 40 MET QG 23 no 100.0 100.0 0.920 0.920 0.000 21 5 no 0.000 0 0
1 41 LYS QB 206 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 41 LYS QD 159 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 41 LYS QE 123 no 100.0 100.0 1.690 1.690 0.000 10 5 no 0.000 0 0
1 41 LYS QG 108 no 100.0 100.0 1.344 1.344 0.000 11 5 no 0.004 0 0
1 42 VAL QG 13 no 95.0 0.0 0.000 0.001 0.001 24 8 no 0.066 0 0
1 43 ASP QB 20 no 100.0 100.0 3.260 3.260 0.000 22 10 no 0.012 0 0
1 44 LYS QB 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 LYS QD 158 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 44 LYS QG 193 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 45 ASP QB 205 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.018 0 0
1 46 ARG QB 18 no 100.0 100.0 2.130 2.130 0.000 23 13 no 0.012 0 0
1 46 ARG QD 97 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.074 0 0
1 46 ARG QG 102 no 100.0 100.0 1.738 1.738 0.000 11 2 no 0.008 0 0
1 47 GLN QB 157 no 100.0 100.0 0.930 0.930 0.000 6 0 no 0.004 0 0
1 47 GLN QE 81 no 100.0 100.0 1.276 1.276 0.000 13 6 no 0.000 0 0
1 47 GLN QG 101 no 100.0 100.0 6.462 6.462 0.000 11 2 no 0.000 0 0
1 48 MET QB 40 no 100.0 100.0 8.336 8.336 0.000 18 6 no 0.004 0 0
1 48 MET QG 15 no 100.0 100.0 3.710 3.710 0.000 23 7 no 0.034 0 0
1 49 VAL QG 111 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.009 0 0
1 50 VAL QG 2 no 100.0 100.0 39.729 39.730 0.000 37 16 no 0.016 0 0
1 51 LEU QB 171 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 51 LEU QD 126 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 52 GLU QB 76 no 100.0 100.0 2.268 2.268 0.000 13 3 no 0.000 0 0
1 52 GLU QG 165 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 53 ASP QB 14 no 100.0 100.0 2.096 2.096 0.000 23 1 no 0.006 0 0
1 54 GLU QB 80 no 100.0 100.0 2.652 2.652 0.000 13 6 no 0.000 0 0
1 54 GLU QG 7 no 100.0 100.0 3.565 3.565 0.000 26 10 no 0.008 0 0
1 55 LEU QB 65 no 100.0 100.0 3.987 3.987 0.000 14 3 no 0.008 0 0
1 55 LEU QD 139 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.019 0 0
1 56 GLN QB 51 no 100.0 100.0 2.742 2.742 0.000 17 8 no 0.017 0 0
1 56 GLN QE 145 no 100.0 100.0 0.472 0.472 0.000 8 6 no 0.008 0 0
1 56 GLN QG 78 no 100.0 100.0 3.775 3.775 0.000 13 4 no 0.005 0 0
1 57 ASN QB 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 57 ASN QD 82 no 100.0 100.0 0.127 0.127 0.000 13 9 no 0.007 0 0
1 58 ILE QG 8 no 100.0 99.9 0.755 0.756 0.001 25 7 no 0.048 0 0
1 59 SER QB 192 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 60 PRO QB 74 no 100.0 99.9 0.942 0.943 0.001 13 2 no 0.070 0 0
1 60 PRO QD 164 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 60 PRO QG 73 no 100.0 100.0 1.702 1.702 0.000 13 2 no 0.000 0 0
1 61 GLU QB 191 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 61 GLU QG 190 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 62 GLU QB 121 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.006 0 0
1 62 GLU QG 204 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.025 0 0
1 63 LEU QB 138 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 63 LEU QD 1 no 100.0 100.0 32.209 32.210 0.002 49 15 no 0.095 0 0
1 64 LYS QB 35 no 100.0 99.9 0.529 0.530 0.000 18 4 no 0.053 0 0
1 64 LYS QD 156 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.007 0 0
1 64 LYS QE 189 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.013 0 0
1 64 LYS QG 28 no 100.0 100.0 3.852 3.852 0.000 19 2 no 0.044 0 0
1 65 LEU QB 150 no 100.0 100.0 0.398 0.398 0.000 7 2 no 0.000 0 0
1 65 LEU QD 163 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.044 0 0
1 66 GLU QB 72 no 100.0 100.0 0.673 0.673 0.000 13 2 no 0.036 0 0
1 66 GLU QG 137 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.018 0 0
1 67 LEU QB 48 no 100.0 100.0 2.980 2.980 0.000 17 6 no 0.014 0 0
1 67 LEU QD 96 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.035 0 0
1 68 PRO QB 71 no 100.0 100.0 1.480 1.480 0.000 13 2 no 0.058 0 0
1 68 PRO QD 144 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.058 0 0
1 69 GLU QB 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 69 GLU QG 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 ARG QB 170 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 70 ARG QD 169 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.020 0 0
1 71 GLN QB 173 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 71 GLN QE 172 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 72 PRO QB 135 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.042 0 0
1 72 PRO QD 33 no 100.0 100.0 1.487 1.487 0.000 19 12 no 0.019 0 0
1 72 PRO QG 17 no 100.0 100.0 5.057 5.057 0.000 23 13 no 0.020 0 0
1 73 ARG QB 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.070 0 0
1 73 ARG QD 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.081 0 0
1 73 ARG QG 143 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.058 0 0
1 74 PHE QB 59 no 100.0 100.0 4.764 4.764 0.000 15 3 no 0.000 0 0
1 75 VAL QG 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 VAL QG 4 no 100.0 100.0 23.831 23.831 0.000 30 2 no 0.021 0 0
1 77 TYR QB 87 no 100.0 100.0 2.063 2.063 0.000 12 2 no 0.015 0 0
1 78 SER QB 22 no 100.0 100.0 1.152 1.152 0.000 21 5 no 0.013 0 0
1 79 TYR QB 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 LYS QB 70 no 100.0 100.0 1.023 1.023 0.000 13 2 no 0.023 0 0
1 80 LYS QD 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.020 0 0
1 80 LYS QE 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 80 LYS QG 134 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 81 TYR QB 10 no 100.0 100.0 4.331 4.331 0.000 24 7 no 0.012 0 0
1 82 VAL QG 133 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.027 0 0
1 83 HIS QB 90 no 100.0 100.0 3.691 3.691 0.000 12 3 no 0.000 0 0
1 85 ASP QB 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
1 86 GLY QA 147 no 100.0 100.0 0.571 0.571 0.000 7 0 no 0.000 0 0
1 87 ARG QB 30 no 100.0 100.0 2.715 2.715 0.000 19 6 no 0.025 0 0
1 87 ARG QD 210 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.008 0 0
1 87 ARG QG 201 no 100.0 100.0 1.788 1.788 0.000 4 1 no 0.000 0 0
1 88 VAL QG 83 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.016 0 0
1 89 SER QB 162 no 100.0 100.0 0.370 0.370 0.000 6 2 no 0.003 0 0
1 90 TYR QB 203 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 91 PRO QB 129 no 100.0 100.0 0.886 0.886 0.000 9 2 no 0.012 0 0
1 91 PRO QD 50 no 100.0 100.0 1.680 1.680 0.000 17 8 no 0.010 0 0
1 91 PRO QG 57 no 100.0 100.0 0.792 0.792 0.000 16 6 no 0.000 0 0
1 92 LEU QB 107 no 100.0 100.0 1.389 1.390 0.001 11 4 no 0.042 0 0
1 92 LEU QD 5 no 100.0 100.0 5.582 5.582 0.000 30 12 no 0.025 0 0
1 93 CYS QB 24 no 100.0 100.0 2.262 2.262 0.000 20 2 no 0.040 0 0
1 94 PHE QB 29 no 100.0 100.0 2.183 2.183 0.000 19 5 no 0.000 0 0
1 95 ILE QG 58 no 100.0 100.0 1.252 1.252 0.000 15 3 no 0.006 0 0
1 96 PHE QB 44 no 100.0 100.0 0.992 0.992 0.000 17 3 no 0.015 0 0
1 97 SER QB 124 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.001 0 0
1 98 SER QB 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 PRO QB 54 no 100.0 100.0 5.268 5.270 0.002 16 0 no 0.062 0 0
1 99 PRO QD 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 99 PRO QG 155 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.011 0 0
1 100 VAL QG 118 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.061 0 0
1 101 GLY QA 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 CYS QB 95 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.015 0 0
1 103 LYS QB 42 no 100.0 100.0 2.109 2.109 0.000 18 10 no 0.000 0 0
1 103 LYS QE 98 no 100.0 100.0 2.448 2.448 0.000 12 10 no 0.000 0 0
1 103 LYS QG 62 no 100.0 100.0 4.384 4.384 0.000 15 8 no 0.000 0 0
1 104 PRO QD 92 no 100.0 100.0 1.186 1.186 0.000 12 6 no 0.000 0 0
1 104 PRO QG 175 no 100.0 100.0 1.252 1.252 0.000 5 1 no 0.000 0 0
1 105 GLU QG 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 106 GLN QB 52 no 100.0 100.0 3.688 3.688 0.000 17 10 no 0.008 0 0
1 106 GLN QE 94 no 100.0 100.0 2.927 2.927 0.000 12 8 no 0.003 0 0
1 106 GLN QG 6 no 100.0 100.0 3.168 3.168 0.000 27 15 no 0.020 0 0
1 107 GLN QB 105 no 100.0 100.0 4.780 4.780 0.000 11 3 no 0.005 0 0
1 107 GLN QE 202 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 107 GLN QG 39 no 100.0 100.0 2.097 2.097 0.000 18 6 no 0.007 0 0
1 108 MET QB 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 108 MET QG 154 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 109 MET QB 106 no 100.0 100.0 1.176 1.176 0.000 11 4 no 0.020 0 0
1 109 MET QG 125 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 110 TYR QB 53 no 100.0 100.0 2.228 2.228 0.000 16 0 no 0.014 0 0
1 112 GLY QA 142 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 113 SER QB 19 no 100.0 100.0 4.469 4.469 0.000 22 3 no 0.014 0 0
1 114 LYS QB 128 no 100.0 100.0 1.462 1.462 0.000 9 1 no 0.000 0 0
1 114 LYS QD 127 no 100.0 100.0 2.303 2.303 0.000 9 1 no 0.004 0 0
1 114 LYS QE 117 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.016 0 0
1 114 LYS QG 27 no 100.0 100.0 0.694 0.694 0.000 19 2 no 0.000 0 0
1 115 ASN QB 141 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.022 0 0
1 115 ASN QD 168 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.022 0 0
1 116 ARG QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 116 ARG QD 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 116 ARG QG 132 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.032 0 0
1 117 LEU QB 45 no 100.0 100.0 0.683 0.683 0.000 17 4 no 0.014 0 0
1 117 LEU QD 41 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.001 0 0
1 118 VAL QG 55 no 100.0 0.0 0.000 0.000 0.000 16 2 no 0.036 0 0
1 119 GLN QB 69 no 100.0 100.0 10.173 10.173 0.000 13 0 no 0.010 0 0
1 119 GLN QG 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 122 GLU QB 116 no 100.0 100.0 1.431 1.431 0.000 10 2 no 0.000 0 0
1 123 LEU QB 104 no 100.0 100.0 2.541 2.541 0.000 11 3 no 0.010 0 0
1 123 LEU QD 153 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 125 LYS QB 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 125 LYS QD 152 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.017 0 0
1 125 LYS QG 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 126 VAL QG 86 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.013 0 0
1 127 PHE QB 103 no 100.0 100.0 1.751 1.751 0.000 11 3 no 0.013 0 0
1 128 GLU QB 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 128 GLU QG 115 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 129 ILE QG 63 no 100.0 100.0 0.433 0.433 0.000 14 0 no 0.000 0 0
1 130 ARG QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 130 ARG QD 149 no 100.0 100.0 1.695 1.695 0.000 7 2 no 0.014 0 0
1 130 ARG QG 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 133 ASP QB 131 no 100.0 100.0 1.612 1.612 0.000 8 0 no 0.000 0 0
1 134 ASP QB 110 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 135 LEU QB 31 no 100.0 100.0 4.754 4.754 0.000 19 8 no 0.000 0 0
1 135 LEU QD 38 no 0.0 0.0 0.000 0.000 0.000 18 6 no 0.038 0 0
1 137 GLU QB 89 no 100.0 100.0 3.597 3.597 0.000 12 3 no 0.001 0 0
1 137 GLU QG 12 no 100.0 100.0 10.168 10.168 0.000 24 8 no 0.021 0 0
1 139 TRP QB 43 no 100.0 100.0 2.179 2.179 0.000 17 0 no 0.013 0 0
1 140 LEU QB 91 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 140 LEU QD 34 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.037 0 0
1 141 LYS QB 146 no 100.0 100.0 6.027 6.027 0.000 7 0 no 0.002 0 0
1 141 LYS QD 88 no 100.0 100.0 3.661 3.661 0.000 12 3 no 0.021 0 0
1 141 LYS QG 25 no 100.0 100.0 1.104 1.104 0.000 20 3 no 0.012 0 0
1 142 GLU QB 109 no 100.0 100.0 2.895 2.895 0.000 10 0 no 0.011 0 0
1 142 GLU QG 99 no 100.0 100.0 1.348 1.348 0.000 11 0 no 0.006 0 0
1 143 LYS QB 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 LYS QD 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.059 0 0
1 143 LYS QE 47 no 100.0 100.0 0.904 0.904 0.000 17 6 no 0.013 0 0
1 143 LYS QG 140 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.016 0 0
1 144 LEU QB 85 no 100.0 100.0 2.434 2.434 0.000 12 2 no 0.000 0 0
1 144 LEU QD 26 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.000 0 0
1 146 SER QB 151 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.003 0 0
1 147 GLY QA 209 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 148 PRO QD 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.017 0 0
1 148 PRO QG 208 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
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