NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
492866 |
2kc0   |
16058 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kc0
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 214
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 0.9
_Stereo_assign_list.Deassign_count 1
_Stereo_assign_list.Deassign_percentage 0.5
_Stereo_assign_list.Model_count 25
_Stereo_assign_list.Total_e_low_states 0.573
_Stereo_assign_list.Total_e_high_states 11.942
_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 9 GLY QA 146 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0
1 10 LEU QB 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 10 LEU QD 16 no 4.0 100.0 0.000 0.000 0.000 15 0 no 0.000 0 0
1 12 ASP QB 42 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 14 LEU QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 PRO QB 204 no 12.0 100.0 0.009 0.009 0.000 2 0 no 0.000 0 0
1 17 PRO QD 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 PRO QG 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 LEU QB 88 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 18 LEU QD 24 no 4.0 67.1 0.002 0.002 0.001 13 2 no 0.108 0 0
1 19 ASP QB 87 no 8.0 100.0 0.005 0.005 0.000 7 1 no 0.000 0 0
1 21 LYS QG 162 no 24.0 100.0 0.013 0.013 0.000 4 0 no 0.000 0 0
1 22 ASP QB 130 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 23 LYS QG 184 no 80.0 100.0 0.230 0.230 0.000 3 0 no 0.000 0 0
1 24 GLY QA 187 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 25 LEU QB 75 no 28.0 100.0 0.026 0.026 0.000 8 3 no 0.000 0 0
1 25 LEU QD 26 no 100.0 0.0 0.000 0.000 0.000 13 4 no 0.000 0 0
1 26 GLN QB 129 no 40.0 100.0 0.307 0.307 0.000 5 0 no 0.000 0 0
1 26 GLN QE 32 no 100.0 100.0 0.007 0.007 0.000 12 3 no 0.327 0 0
1 26 GLN QG 71 no 8.0 100.0 0.003 0.003 0.000 8 1 no 0.000 0 0
1 27 SER QB 128 no 24.0 100.0 0.106 0.106 0.000 5 0 no 0.000 0 0
1 28 LEU QD 15 no 32.0 100.0 0.031 0.031 0.000 16 2 no 0.000 0 0
1 30 LEU QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 LEU QD 6 no 32.0 100.0 0.010 0.010 0.000 23 2 no 0.000 0 0
1 31 ASP QB 183 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 32 GLN QB 145 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.063 0 0
1 32 GLN QE 76 no 100.0 100.0 0.018 0.018 0.000 8 5 no 0.480 0 0
1 32 GLN QG 110 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 33 SER QB 30 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 34 VAL QG 29 no 100.0 0.0 0.000 0.000 0.000 12 1 no 0.000 0 0
1 35 ARG QB 109 no 16.0 100.0 0.058 0.058 0.000 6 2 no 0.004 0 0
1 35 ARG QG 48 no 28.0 0.6 0.001 0.082 0.082 10 2 no 0.000 0 0
1 36 LYS QB 141 no 60.0 100.0 0.032 0.032 0.000 5 2 no 0.000 0 0
1 37 ASN QB 54 no 36.0 100.0 0.361 0.361 0.000 10 4 no 0.000 0 0
1 37 ASN QD 58 yes 100.0 100.0 0.111 0.111 0.000 10 7 no 0.000 0 0
1 38 GLU QB 140 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 39 LYS QG 127 no 60.0 100.0 0.107 0.107 0.000 5 0 no 0.000 0 0
1 40 LEU QB 182 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 40 LEU QD 17 no 36.0 100.0 0.197 0.197 0.000 15 2 no 0.000 0 0
1 41 LYS QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 42 LEU QB 181 no 44.0 100.0 0.008 0.008 0.000 3 0 no 0.000 0 0
1 42 LEU QD 4 no 100.0 0.0 0.000 0.000 0.000 25 2 no 0.078 0 0
1 45 GLN QB 36 no 4.0 100.0 0.000 0.000 0.000 11 2 no 0.000 0 0
1 45 GLN QE 31 no 100.0 0.0 0.000 0.000 0.000 12 3 no 0.000 0 0
1 45 GLN QG 34 no 32.0 100.0 0.004 0.004 0.000 11 1 no 0.000 0 0
1 46 GLY QA 214 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 48 GLU QB 126 no 8.0 100.0 0.001 0.001 0.000 5 0 no 0.000 0 0
1 49 LYS QB 213 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 51 TYR QB 170 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 53 ASN QB 125 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 55 ASP QB 83 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 56 SER QB 124 no 100.0 100.0 0.533 0.533 0.000 5 0 no 0.000 0 0
1 58 ASN QB 123 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 60 GLY QA 209 no 28.0 95.5 0.050 0.053 0.002 2 2 no 0.222 0 0
1 63 LYS QE 212 no 52.0 100.0 0.119 0.119 0.000 1 0 no 0.000 0 0
1 63 LYS QG 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 64 ASN QB 108 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 64 ASN QD 91 no 100.0 100.0 0.000 0.000 0.000 7 2 no 0.008 0 0
1 65 ASP QB 211 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 66 LYS QB 99 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 66 LYS QG 122 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 71 ASP QB 121 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 72 PHE QB 169 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 73 ILE QG 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 GLN QE 73 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 76 ILE QG 92 no 32.0 100.0 0.202 0.202 0.000 7 4 no 0.000 0 0
1 77 GLU QB 160 no 76.0 100.0 0.110 0.110 0.000 4 0 no 0.000 0 0
1 77 GLU QG 67 no 48.0 100.0 0.022 0.022 0.000 8 0 no 0.000 0 0
1 79 ASP QB 82 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 80 GLY QA 207 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 81 GLN QB 180 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 81 GLN QG 70 no 56.0 100.0 0.131 0.131 0.000 8 1 no 0.000 0 0
1 82 LEU QB 179 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 82 LEU QD 47 no 16.0 100.0 0.022 0.022 0.000 10 2 no 0.000 0 0
1 83 ILE QG 132 no 36.0 100.0 0.029 0.029 0.000 5 1 no 0.000 0 0
1 85 LEU QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 GLU QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 87 SER QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 89 GLU QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.028 0 0
1 91 GLN QE 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 VAL QG 11 no 100.0 0.0 0.000 0.000 0.000 18 0 no 0.000 0 0
1 98 SER QB 112 no 12.0 100.0 0.002 0.002 0.000 6 4 no 0.000 0 0
1 100 LEU QD 13 no 100.0 0.0 0.000 0.000 0.000 17 0 no 0.000 0 0
1 104 GLN QE 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 107 GLN QB 157 no 4.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 109 GLN QB 63 no 44.0 100.0 0.012 0.012 0.000 9 4 no 0.000 0 0
1 109 GLN QE 10 yes 76.0 56.4 0.375 0.664 0.290 20 13 yes 1.181 1 11
1 109 GLN QG 40 no 20.0 100.0 0.001 0.001 0.000 11 3 no 0.000 0 0
1 110 ASP QB 81 no 52.0 100.0 0.010 0.010 0.000 7 0 no 0.010 0 0
1 112 GLU QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 113 HIS QB 51 no 12.0 100.0 0.015 0.015 0.000 10 3 no 0.000 0 0
1 115 GLY QA 171 no 48.0 100.0 0.352 0.352 0.000 4 3 no 0.000 0 0
1 116 LYS QB 60 no 60.0 38.4 0.112 0.292 0.180 9 3 no 0.000 0 0
1 116 LYS QD 195 no 32.0 100.0 0.021 0.021 0.000 2 0 no 0.000 0 0
1 116 LYS QG 139 no 4.0 100.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 117 MET QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 117 MET QG 120 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 122 GLN QB 107 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 122 GLN QE 90 no 4.0 96.2 0.006 0.007 0.000 7 2 no 0.078 0 0
1 123 PHE QB 178 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 127 ASP QB 106 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 130 GLY QA 57 no 92.0 100.0 0.654 0.654 0.000 10 7 no 0.000 0 0
1 131 GLU QB 206 no 8.0 100.0 0.035 0.035 0.000 2 1 no 0.000 0 0
1 134 SER QB 64 no 4.0 100.0 0.001 0.001 0.000 9 5 no 0.000 0 0
1 135 PHE QB 210 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 136 ASP QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 137 LYS QB 62 no 44.0 100.0 0.225 0.225 0.000 9 4 no 0.000 0 0
1 137 LYS QD 119 no 88.0 100.0 0.348 0.348 0.000 5 0 no 0.000 0 0
1 137 LYS QG 35 no 84.0 100.0 0.078 0.078 0.000 11 2 no 0.000 0 0
1 138 LEU QB 144 no 84.0 100.0 0.140 0.140 0.000 5 3 no 0.000 0 0
1 138 LEU QD 25 no 24.0 100.0 0.004 0.004 0.000 13 3 no 0.000 0 0
1 139 PRO QB 118 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 139 PRO QD 61 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 139 PRO QG 138 no 88.0 100.0 0.124 0.124 0.000 5 2 no 0.000 0 0
1 140 GLU QB 117 no 8.0 100.0 0.001 0.001 0.000 5 0 no 0.000 0 0
1 140 GLU QG 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 141 GLY QA 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 142 GLY QA 177 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 143 ARG QG 116 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 146 TYR QB 186 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 147 ARG QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 148 GLY QA 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 151 PHE QB 66 no 12.0 100.0 0.005 0.005 0.000 8 0 no 0.000 0 0
1 152 GLY QA 65 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 154 ASP QB 137 no 28.0 100.0 0.218 0.218 0.000 5 2 no 0.000 0 0
1 155 ASP QB 115 no 16.0 100.0 0.001 0.001 0.000 5 0 no 0.000 0 0
1 157 GLY QA 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 GLY QA 27 no 36.0 100.0 0.184 0.184 0.000 13 6 no 0.000 0 0
1 159 LYS QG 21 no 24.0 100.0 0.060 0.060 0.000 14 1 no 0.000 0 0
1 160 LEU QD 45 no 68.0 100.0 0.147 0.147 0.000 10 1 no 0.000 0 0
1 162 TYR QB 143 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 165 ASP QB 28 no 12.0 100.0 0.000 0.000 0.000 12 1 no 0.000 0 0
1 166 PHE QB 69 no 100.0 0.0 0.000 0.000 0.000 8 1 no 0.000 0 0
1 169 LYS QB 168 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 170 GLN QB 93 no 4.0 100.0 0.000 0.000 0.000 7 5 no 0.000 0 0
1 170 GLN QE 22 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.000 0 0
1 171 GLY QA 80 no 92.0 100.0 0.317 0.317 0.000 7 0 no 0.000 0 0
1 172 ASN QB 59 no 100.0 0.0 0.000 0.000 0.000 9 1 no 0.000 0 0
1 172 ASN QD 14 no 100.0 0.0 0.000 0.000 0.000 16 2 no 0.000 0 0
1 173 GLY QA 86 no 8.0 100.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 174 LYS QB 33 no 100.0 0.0 0.000 0.000 0.000 11 0 no 0.000 0 0
1 174 LYS QG 79 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 176 GLU QG 56 no 64.0 81.6 0.057 0.070 0.013 10 5 no 0.569 0 1
1 177 HIS QB 39 no 8.0 100.0 0.004 0.004 0.000 11 3 no 0.000 0 0
1 178 LEU QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 178 LEU QD 7 no 96.0 100.0 0.798 0.798 0.000 23 6 no 0.000 0 0
1 179 LYS QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 179 LYS QD 191 no 12.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
1 179 LYS QG 150 no 20.0 100.0 0.008 0.008 0.000 4 0 no 0.000 0 0
1 180 SER QB 136 no 24.0 100.0 0.172 0.172 0.000 5 2 no 0.000 0 0
1 181 PRO QB 176 no 60.0 100.0 0.009 0.009 0.000 3 0 no 0.000 0 0
1 181 PRO QD 175 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 181 PRO QG 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 182 GLU QB 174 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 182 GLU QG 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 183 LEU QD 23 no 100.0 0.0 0.000 0.000 0.000 13 2 no 0.031 0 0
1 184 ASN QB 12 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.000 0 0
1 184 ASN QD 167 no 100.0 100.0 0.068 0.068 0.000 4 1 no 0.937 0 3
1 185 VAL QG 18 no 100.0 100.0 0.237 0.237 0.000 15 4 no 0.000 0 0
1 187 LEU QB 85 no 76.0 100.0 0.510 0.510 0.000 7 1 no 0.000 0 0
1 187 LEU QD 2 no 100.0 0.0 0.000 0.000 0.000 30 7 no 0.000 0 0
1 191 ASP QB 135 no 4.0 100.0 0.004 0.004 0.000 5 2 no 0.000 0 0
1 192 ILE QG 166 no 12.0 100.0 0.025 0.025 0.000 4 1 no 0.000 0 0
1 195 ASP QB 134 no 64.0 100.0 0.359 0.359 0.000 5 2 no 0.000 0 0
1 196 GLY QA 173 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 197 LYS QB 103 no 68.0 100.0 0.227 0.227 0.000 6 1 no 0.000 0 0
1 197 LYS QD 149 no 56.0 100.0 0.027 0.027 0.000 4 0 no 0.000 0 0
1 197 LYS QG 97 no 36.0 100.0 0.010 0.010 0.000 6 0 no 0.000 0 0
1 198 ARG QB 185 no 4.0 100.0 0.001 0.001 0.000 3 1 no 0.000 0 0
1 199 HIS QB 78 no 32.0 100.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 201 VAL QG 19 no 48.0 100.0 0.107 0.107 0.000 15 5 no 0.000 0 0
1 202 ILE QG 131 no 12.0 100.0 0.001 0.001 0.000 5 1 no 0.000 0 0
1 203 SER QB 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 204 GLY QA 77 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 205 SER QB 84 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 206 VAL QG 8 no 100.0 0.0 0.000 0.000 0.000 22 8 no 0.000 0 0
1 207 LEU QB 46 no 32.0 100.0 0.040 0.040 0.000 10 2 no 0.000 0 0
1 207 LEU QD 9 no 76.0 98.5 0.108 0.110 0.002 21 5 no 0.170 0 0
1 208 TYR QB 55 no 52.0 100.0 0.086 0.086 0.000 10 5 no 0.000 0 0
1 209 ASN QB 111 no 80.0 100.0 0.242 0.242 0.000 6 3 no 0.000 0 0
1 209 ASN QD 142 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 210 GLN QB 105 no 100.0 99.5 0.584 0.587 0.003 6 2 no 0.192 0 0
1 210 GLN QE 72 no 100.0 100.0 0.015 0.015 0.000 8 2 no 0.306 0 0
1 212 GLU QB 50 no 100.0 0.0 0.000 0.000 0.000 10 3 no 0.000 0 0
1 212 GLU QG 38 no 16.0 69.0 0.001 0.001 0.000 11 3 no 0.051 0 0
1 213 LYS QB 102 no 40.0 100.0 0.058 0.058 0.000 6 1 no 0.000 0 0
1 213 LYS QG 101 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 214 GLY QA 49 no 100.0 0.0 0.000 0.000 0.000 10 3 no 0.000 0 0
1 215 SER QB 68 no 32.0 100.0 0.014 0.014 0.000 8 1 no 0.000 0 0
1 216 TYR QB 37 no 4.0 100.0 0.000 0.000 0.000 11 3 no 0.000 0 0
1 217 SER QB 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 218 LEU QB 133 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 218 LEU QD 1 no 12.0 100.0 0.002 0.002 0.000 33 10 no 0.000 0 0
1 219 GLY QA 74 no 44.0 100.0 0.014 0.014 0.000 8 3 no 0.000 0 0
1 221 PHE QB 100 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 222 GLY QA 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 224 LYS QB 147 no 12.0 100.0 0.012 0.012 0.000 4 0 no 0.000 0 0
1 228 VAL QG 5 no 24.0 100.0 0.016 0.016 0.000 25 4 no 0.000 0 0
1 230 GLY QA 41 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 231 SER QB 44 no 32.0 100.0 0.041 0.041 0.000 10 0 no 0.000 0 0
1 233 GLU QG 172 no 48.0 100.0 0.337 0.337 0.000 3 0 no 0.000 0 0
1 234 VAL QG 20 no 48.0 100.0 0.036 0.036 0.000 15 7 no 0.000 0 0
1 235 LYS QB 89 no 64.0 100.0 0.329 0.329 0.000 7 2 no 0.000 0 0
1 238 ASN QB 53 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 238 ASN QD 52 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 239 GLY QA 205 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 240 ILE QG 94 no 96.0 100.0 0.187 0.187 0.000 6 0 no 0.000 0 0
1 241 ARG QG 208 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 243 ILE QG 43 no 80.0 100.0 0.001 0.001 0.000 10 0 no 0.000 0 0
1 244 GLY QA 114 no 100.0 100.0 0.091 0.091 0.000 5 0 no 0.000 0 0
1 245 LEU QB 104 no 64.0 100.0 0.148 0.148 0.000 6 2 no 0.004 0 0
1 245 LEU QD 3 no 8.0 100.0 0.000 0.000 0.000 26 4 no 0.000 0 0
1 248 LYS QB 113 no 64.0 100.0 0.068 0.068 0.000 5 0 no 0.000 0 0
1 249 GLN QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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