NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651840 |
6tvm   |
34475 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6tvm
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 236
_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 30
_Stereo_assign_list.Total_e_low_states 0.038
_Stereo_assign_list.Total_e_high_states 26.092
_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 MET QB 236 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 MET QG 235 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 ARG QG 22 no 100.0 100.0 1.757 1.757 0.001 13 2 no 0.068 0 0
1 13 LEU QB 32 no 100.0 100.0 1.830 1.830 0.000 11 4 no 0.000 0 0
1 13 LEU QD 4 no 100.0 0.0 0.000 0.005 0.005 22 8 no 0.126 0 0
1 14 GLN QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 GLN QG 82 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.117 0 0
1 15 ARG QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.050 0 0
1 15 ARG QD 234 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 ARG QG 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 ILE QG 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 HIS QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 ILE QG 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 LYS QB 81 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.042 0 0
1 21 LYS QD 233 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 LYS QG 80 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.006 0 0
1 22 ASN QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 ASN QD 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
1 23 SER QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 LEU QB 27 no 100.0 100.0 3.679 3.679 0.000 12 4 no 0.057 0 0
1 24 LEU QD 2 no 100.0 0.0 0.000 0.001 0.001 26 4 no 0.076 0 0
1 25 LYS QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 LYS QG 79 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.030 0 0
1 26 ILE QG 78 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 27 ASP QB 77 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 28 ASN QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 29 LEU QD 17 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.046 0 0
1 30 ASP QB 231 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 VAL QG 6 no 100.0 0.0 0.000 0.000 0.000 20 4 no 0.101 0 0
1 32 ASN QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.056 0 0
1 32 ASN QD 230 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 33 ARG QB 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 ARG QD 228 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 ARG QG 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 CYS QB 40 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 35 ILE QG 49 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.058 0 0
1 36 GLU QB 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 GLU QG 76 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 38 LEU QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 LEU QD 13 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 39 ASP QB 75 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 40 GLU QG 151 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.121 0 0
1 41 LEU QB 48 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.016 0 0
1 41 LEU QD 21 no 90.0 0.0 0.000 0.004 0.004 14 4 no 0.245 0 0
1 43 SER QB 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 LEU QB 84 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.060 0 0
1 44 LEU QD 9 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.021 0 0
1 46 VAL QG 20 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.007 0 0
1 48 MET QG 74 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 49 GLN QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 49 GLN QE 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 GLN QG 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 50 GLN QB 73 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.020 0 0
1 50 GLN QG 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 GLN QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 52 GLN QE 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 GLN QG 72 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 53 LYS QG 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 HIS QB 29 no 100.0 100.0 2.610 2.610 0.000 11 0 no 0.000 0 0
1 57 MET QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 58 ILE QG 71 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
1 61 LEU QB 26 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 61 LEU QD 8 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.038 0 0
1 62 LYS QB 70 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.160 0 0
1 63 LYS QB 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 LYS QG 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 64 ILE QG 69 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 65 ARG QD 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 ARG QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 ARG QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.035 0 0
1 66 ARG QG 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 67 PHE QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 68 LYS QB 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 69 VAL QG 34 no 100.0 0.0 0.000 0.002 0.002 10 0 no 0.175 0 0
1 70 SER QB 36 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.014 0 0
1 71 GLN QB 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 VAL QG 25 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.061 0 0
1 73 ILE QG 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 74 MET QB 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 74 MET QG 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 GLU QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.063 0 0
1 76 LYS QD 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 LYS QE 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 LYS QG 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 77 SER QB 47 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 79 MET QG 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 80 LEU QB 46 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 80 LEU QD 16 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.045 0 0
1 82 ASN QB 135 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.148 0 0
1 82 ASN QD 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.044 0 0
1 83 LYS QB 68 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.049 0 0
1 83 LYS QD 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 LYS QG 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 PHE QB 67 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 85 LYS QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 85 LYS QD 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 86 ASN QD 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 MET QB 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 MET QG 39 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.003 0 0
1 88 PHE QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 88 PHE QE 86 no 96.7 100.0 2.438 2.438 0.000 5 0 no 0.035 0 0
1 89 LEU QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 89 LEU QD 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 GLU QG 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 SER QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 VAL QG 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 ILE QG 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.059 0 0
1 100 VAL QG 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 101 LEU QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.019 0 0
1 101 LEU QD 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 LYS QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.013 0 0
1 105 LEU QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 107 GLU QG 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 108 GLN QG 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 109 ARG QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 109 ARG QG 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 111 HIS QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 113 GLU QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 9 MET QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 9 MET QG 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 12 ARG QG 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 13 LEU QB 31 no 100.0 100.0 1.973 1.973 0.000 11 4 no 0.000 0 0
2 13 LEU QD 3 no 100.0 0.0 0.000 0.002 0.002 22 8 no 0.090 0 0
2 14 GLN QB 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 14 GLN QG 66 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.119 0 0
2 15 ARG QB 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
2 15 ARG QD 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 15 ARG QG 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 16 ILE QG 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 17 HIS QB 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 20 ILE QG 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 21 LYS QB 65 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.031 0 0
2 21 LYS QD 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 21 LYS QG 64 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.062 0 0
2 22 ASN QB 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.017 0 0
2 22 ASN QD 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.042 0 0
2 23 SER QB 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 24 LEU QB 45 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 24 LEU QD 1 no 0.0 0.0 0.000 0.001 0.001 26 4 no 0.072 0 0
2 25 LYS QB 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 25 LYS QG 63 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.029 0 0
2 26 ILE QG 62 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 27 ASP QB 61 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 28 ASN QB 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 29 LEU QD 15 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.068 0 0
2 30 ASP QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 31 VAL QG 5 no 100.0 0.0 0.000 0.000 0.000 20 4 no 0.011 0 0
2 32 ASN QB 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.056 0 0
2 32 ASN QD 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
2 33 ARG QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 33 ARG QD 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 33 ARG QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 34 CYS QB 38 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 35 ILE QG 44 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.061 0 0
2 36 GLU QB 60 no 100.0 100.0 2.253 2.253 0.000 6 0 no 0.002 0 0
2 36 GLU QG 59 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 38 LEU QB 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 38 LEU QD 12 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
2 39 ASP QB 58 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
2 40 GLU QG 111 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.115 0 0
2 41 LEU QB 43 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.034 0 0
2 41 LEU QD 19 no 16.7 0.0 0.000 0.002 0.002 14 4 no 0.094 0 0
2 43 SER QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 44 LEU QB 83 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.035 0 0
2 44 LEU QD 11 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.007 0 0
2 46 VAL QG 18 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.041 0 0
2 48 MET QG 57 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
2 49 GLN QB 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 49 GLN QE 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 49 GLN QG 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 50 GLN QB 56 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.014 0 0
2 50 GLN QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 52 GLN QB 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 52 GLN QE 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
2 52 GLN QG 55 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 53 LYS QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 54 HIS QB 28 no 100.0 100.0 2.714 2.714 0.000 11 0 no 0.002 0 0
2 57 MET QB 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 58 ILE QG 54 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.007 0 0
2 61 LEU QB 24 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
2 61 LEU QD 7 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.023 0 0
2 62 LYS QB 53 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.158 0 0
2 63 LYS QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 63 LYS QG 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 64 ILE QG 52 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 65 ARG QD 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 65 ARG QG 105 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 66 ARG QB 104 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.046 0 0
2 66 ARG QG 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 67 PHE QB 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 68 LYS QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 69 VAL QG 33 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.081 0 0
2 70 SER QB 35 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.025 0 0
2 71 GLN QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 72 VAL QG 23 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.058 0 0
2 73 ILE QG 101 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 74 MET QB 100 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 74 MET QG 99 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 75 GLU QB 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.058 0 0
2 76 LYS QD 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 76 LYS QE 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 76 LYS QG 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 77 SER QB 42 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 79 MET QG 96 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 80 LEU QB 41 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 80 LEU QD 14 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.036 0 0
2 82 ASN QB 95 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.139 0 0
2 82 ASN QD 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.043 0 0
2 83 LYS QB 51 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.038 0 0
2 83 LYS QD 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 83 LYS QG 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 84 PHE QB 50 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 85 LYS QB 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 85 LYS QD 92 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
2 86 ASN QD 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 87 MET QB 91 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 87 MET QG 37 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.002 0 0
2 88 PHE QB 90 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 88 PHE QE 85 no 100.0 100.0 2.529 2.529 0.000 5 0 no 0.009 0 0
2 89 LEU QB 30 no 100.0 100.0 2.576 2.576 0.000 11 3 no 0.025 0 0
2 89 LEU QD 10 no 100.0 100.0 1.695 1.695 0.000 16 3 no 0.017 0 0
2 92 GLU QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 95 SER QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 96 VAL QG 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 97 ILE QG 89 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.024 0 0
2 100 VAL QG 88 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 101 LEU QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.022 0 0
2 101 LEU QD 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 103 LYS QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
2 105 LEU QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 107 GLU QG 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 108 GLN QG 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 109 ARG QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 109 ARG QG 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 111 HIS QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 113 GLU QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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