NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412529 |
2b95   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2b95
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 244
_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 0.034
_Stereo_assign_list.Total_e_high_states 39.243
_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 11 MET QB 224 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 11 MET QG 223 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 VAL QG 14 no 100.0 100.0 0.700 0.700 0.000 37 11 no 0.000 0 0
1 15 GLU QB 70 no 100.0 99.9 0.337 0.337 0.000 12 1 no 0.027 0 0
1 15 GLU QG 47 no 100.0 0.0 0.000 0.000 0.000 16 2 no 0.006 0 0
1 16 GLU QB 132 no 100.0 99.8 0.087 0.087 0.000 8 0 no 0.020 0 0
1 18 LEU QB 37 no 100.0 100.0 2.874 2.874 0.000 17 3 no 0.045 0 0
1 18 LEU QD 16 no 10.0 100.0 0.027 0.027 0.000 35 8 no 0.000 0 0
1 19 LYS QG 176 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.007 0 0
1 20 ARG QG 160 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.010 0 0
1 21 LEU QB 74 no 100.0 100.0 0.133 0.133 0.000 12 3 no 0.000 0 0
1 21 LEU QD 20 no 100.0 100.0 0.074 0.074 0.000 26 4 no 0.000 0 0
1 22 GLN QB 46 no 95.0 99.4 0.011 0.011 0.000 16 2 no 0.028 0 0
1 22 GLN QE 35 no 10.0 97.8 0.001 0.001 0.000 19 12 no 0.010 0 0
1 22 GLN QG 142 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.048 0 0
1 23 SER QB 222 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.057 0 0
1 24 GLN QE 34 no 80.0 100.0 0.461 0.461 0.000 19 9 no 0.014 0 0
1 24 GLN QG 90 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.018 0 0
1 25 LYS QG 159 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 26 GLY QA 188 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 27 VAL QG 4 no 100.0 100.0 0.914 0.914 0.000 46 19 no 0.000 0 0
1 28 GLN QB 62 no 5.0 98.4 0.001 0.001 0.000 14 3 no 0.015 0 0
1 28 GLN QE 52 no 10.0 100.0 0.014 0.014 0.000 15 7 no 0.004 0 0
1 29 GLY QA 89 no 100.0 99.9 0.171 0.171 0.000 12 4 no 0.028 0 0
1 30 ILE QG 39 no 95.0 100.0 0.096 0.096 0.000 17 6 no 0.000 0 0
1 31 ILE QG 221 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 32 VAL QG 6 no 100.0 100.0 2.905 2.905 0.000 43 13 no 0.000 0 0
1 33 VAL QG 2 no 100.0 100.0 0.456 0.456 0.000 47 17 no 0.000 0 0
1 34 ASN QB 131 no 90.0 65.7 0.001 0.001 0.000 8 0 no 0.137 0 0
1 34 ASN QD 45 no 70.0 100.0 0.070 0.070 0.000 16 2 no 0.013 0 0
1 36 GLU QB 88 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.027 0 0
1 36 GLU QG 130 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 37 GLY QA 194 no 100.0 99.3 0.056 0.056 0.000 5 3 no 0.088 0 0
1 38 ILE QG 112 no 100.0 99.1 0.091 0.092 0.001 10 6 no 0.125 0 0
1 39 PRO QB 158 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 39 PRO QD 98 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 39 PRO QG 87 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 40 ILE QG 61 no 100.0 100.0 0.258 0.258 0.000 14 3 no 0.000 0 0
1 41 LYS QB 30 no 100.0 0.0 0.000 0.000 0.000 20 10 no 0.021 0 0
1 42 SER QB 129 no 100.0 99.7 0.129 0.130 0.000 8 0 no 0.055 0 0
1 44 MET QB 128 no 100.0 100.0 0.074 0.074 0.000 8 0 no 0.000 0 0
1 45 ASP QB 220 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 46 ASN QB 116 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 46 ASN QD 232 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 47 PRO QB 244 no 100.0 99.9 0.398 0.399 0.000 2 0 no 0.032 0 0
1 47 PRO QD 187 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 47 PRO QG 230 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 51 GLN QB 141 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.016 0 0
1 51 GLN QE 24 no 50.0 100.0 0.005 0.005 0.000 21 9 no 0.000 0 0
1 51 GLN QG 97 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 52 TYR QB 175 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 55 LEU QB 69 no 75.0 99.8 1.491 1.494 0.003 12 1 no 0.131 0 0
1 55 LEU QD 8 no 100.0 100.0 1.889 1.889 0.000 42 12 no 0.000 0 0
1 56 MET QB 219 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 56 MET QG 50 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.000 0 0
1 57 HIS QB 218 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 58 SER QB 174 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 59 PHE QB 127 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 60 ILE QG 168 no 80.0 100.0 0.192 0.192 0.000 7 2 no 0.000 0 0
1 61 LEU QB 173 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 61 LEU QD 44 no 100.0 100.0 0.019 0.019 0.000 16 2 no 0.000 0 0
1 62 LYS QB 86 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.007 0 0
1 62 LYS QD 66 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.002 0 0
1 64 ARG QB 72 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.005 0 0
1 64 ARG QG 157 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.036 0 0
1 65 SER QB 94 no 90.0 99.8 0.015 0.015 0.000 10 0 no 0.019 0 0
1 67 VAL QG 12 no 95.0 100.0 0.484 0.484 0.000 37 6 no 0.000 0 0
1 69 ASP QB 108 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.008 0 0
1 70 ILE QG 107 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 71 ASP QB 186 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 72 PRO QB 192 no 100.0 100.0 1.513 1.513 0.000 5 2 no 0.000 0 0
1 72 PRO QD 243 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 PRO QG 164 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 73 GLN QB 191 no 100.0 100.0 0.082 0.082 0.000 5 2 no 0.002 0 0
1 73 GLN QE 163 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 73 GLN QG 106 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.001 0 0
1 74 ASN QB 111 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.022 0 0
1 75 ASP QB 85 no 75.0 100.0 0.164 0.164 0.000 12 4 no 0.002 0 0
1 76 LEU QB 228 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 76 LEU QD 22 no 100.0 0.0 0.000 0.000 0.000 26 10 no 0.000 0 0
1 78 PHE QB 217 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.020 0 0
1 79 LEU QB 126 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 79 LEU QD 10 no 75.0 100.0 0.021 0.021 0.000 39 2 no 0.000 0 0
1 80 ARG QB 156 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 80 ARG QD 216 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 80 ARG QG 105 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.005 0 0
1 81 ILE QG 215 no 5.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 83 SER QB 84 no 95.0 100.0 0.213 0.213 0.000 12 4 no 0.000 0 0
1 84 LYS QB 56 no 95.0 100.0 0.588 0.588 0.000 14 0 no 0.015 0 0
1 84 LYS QG 64 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.008 0 0
1 85 LYS QB 140 no 75.0 86.7 0.003 0.004 0.000 8 2 no 0.098 0 0
1 85 LYS QE 227 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 85 LYS QG 214 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 86 ASN QB 144 no 35.0 50.8 0.002 0.003 0.002 8 3 no 0.174 0 0
1 86 ASN QD 213 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 GLU QB 104 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 88 ILE QG 155 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 89 MET QB 185 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.022 0 0
1 89 MET QG 32 no 100.0 0.0 0.000 0.000 0.000 20 14 no 0.009 0 0
1 90 VAL QG 18 no 40.0 100.0 0.046 0.046 0.000 27 6 no 0.000 0 0
1 92 PRO QB 166 no 75.0 99.9 0.035 0.035 0.000 7 0 no 0.017 0 0
1 92 PRO QD 212 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 PRO QG 184 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 94 LYS QB 125 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 94 LYS QD 242 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 LYS QG 211 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 ASP QB 210 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 96 TYR QB 139 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.027 0 0
1 97 PHE QB 154 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 98 LEU QB 58 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.000 0 0
1 98 LEU QD 26 no 100.0 0.0 0.000 0.000 0.000 20 0 no 0.000 0 0
1 99 ILE QG 183 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 100 VAL QG 115 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 101 ILE QG 134 no 15.0 99.8 0.029 0.029 0.000 8 1 no 0.021 0 0
1 102 GLN QB 92 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.038 0 0
1 102 GLN QE 29 no 95.0 100.0 0.983 0.983 0.000 20 10 no 0.009 0 0
1 103 ASN QB 54 no 90.0 97.5 0.299 0.307 0.008 15 10 no 0.252 0 0
1 103 ASN QD 83 no 100.0 99.4 0.249 0.250 0.001 12 4 no 0.122 0 0
1 104 PRO QB 241 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.022 0 0
1 104 PRO QD 153 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 104 PRO QG 240 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 GLU QB 239 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 11 MET QB 209 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 11 MET QG 208 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 14 VAL QG 13 no 100.0 100.0 0.748 0.748 0.000 37 11 no 0.000 0 0
2 15 GLU QB 68 no 100.0 99.9 0.331 0.331 0.000 12 1 no 0.028 0 0
2 15 GLU QG 43 no 100.0 0.0 0.000 0.000 0.000 16 2 no 0.011 0 0
2 16 GLU QB 124 no 100.0 99.8 0.089 0.089 0.000 8 0 no 0.023 0 0
2 18 LEU QB 36 no 100.0 100.0 3.091 3.092 0.001 17 3 no 0.054 0 0
2 18 LEU QD 15 no 30.0 100.0 0.040 0.040 0.000 36 8 no 0.000 0 0
2 19 LYS QG 172 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.003 0 0
2 20 ARG QG 152 no 0.0 0.0 0.000 0.000 0.000 8 4 no 0.009 0 0
2 21 LEU QB 73 no 100.0 100.0 0.194 0.194 0.000 12 3 no 0.003 0 0
2 21 LEU QD 19 no 100.0 100.0 0.079 0.079 0.000 26 4 no 0.000 0 0
2 22 GLN QB 42 no 100.0 99.8 0.022 0.022 0.000 16 2 no 0.018 0 0
2 22 GLN QE 49 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.018 0 0
2 22 GLN QG 138 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.032 0 0
2 23 SER QB 207 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.019 0 0
2 24 GLN QE 33 no 80.0 100.0 0.440 0.440 0.000 19 9 no 0.012 0 0
2 24 GLN QG 82 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.021 0 0
2 25 LYS QG 151 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.001 0 0
2 26 GLY QA 182 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.016 0 0
2 27 VAL QG 3 no 100.0 100.0 0.905 0.905 0.000 46 17 no 0.000 0 0
2 28 GLN QB 60 no 25.0 99.2 0.007 0.007 0.000 14 3 no 0.031 0 0
2 28 GLN QE 51 no 15.0 100.0 0.026 0.026 0.000 15 7 no 0.002 0 0
2 29 GLY QA 81 no 100.0 100.0 0.364 0.364 0.000 12 4 no 0.023 0 0
2 30 ILE QG 38 no 90.0 100.0 0.069 0.069 0.000 17 6 no 0.000 0 0
2 31 ILE QG 206 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 32 VAL QG 5 no 100.0 100.0 3.214 3.214 0.000 43 13 no 0.000 0 0
2 33 VAL QG 1 no 100.0 100.0 0.380 0.380 0.000 47 17 no 0.000 0 0
2 34 ASN QB 123 no 25.0 44.0 0.000 0.001 0.000 8 0 no 0.038 0 0
2 34 ASN QD 41 no 65.0 100.0 0.046 0.046 0.000 16 2 no 0.012 0 0
2 36 GLU QB 80 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.025 0 0
2 36 GLU QG 122 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 37 GLY QA 193 no 90.0 99.6 0.038 0.038 0.000 5 3 no 0.055 0 0
2 38 ILE QG 110 no 100.0 99.4 0.090 0.091 0.001 10 6 no 0.098 0 0
2 39 PRO QB 150 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 39 PRO QD 96 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
2 39 PRO QG 79 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
2 40 ILE QG 59 no 95.0 100.0 0.384 0.384 0.000 14 3 no 0.000 0 0
2 41 LYS QB 28 no 100.0 0.0 0.000 0.000 0.000 20 10 no 0.031 0 0
2 42 SER QB 121 no 95.0 99.4 0.128 0.129 0.001 8 0 no 0.057 0 0
2 44 MET QB 120 no 100.0 100.0 0.084 0.084 0.000 8 0 no 0.000 0 0
2 45 ASP QB 205 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 46 ASN QB 114 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
2 46 ASN QD 231 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 47 PRO QB 238 no 100.0 99.9 0.396 0.396 0.000 2 0 no 0.026 0 0
2 47 PRO QD 181 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 47 PRO QG 229 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 51 GLN QB 137 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.036 0 0
2 51 GLN QE 23 no 40.0 100.0 0.013 0.013 0.000 21 9 no 0.000 0 0
2 51 GLN QG 95 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
2 52 TYR QB 171 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 55 LEU QB 67 no 90.0 99.9 1.829 1.830 0.001 12 1 no 0.127 0 0
2 55 LEU QD 7 no 100.0 100.0 2.180 2.180 0.000 42 12 no 0.000 0 0
2 56 MET QB 204 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 56 MET QG 48 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.000 0 0
2 57 HIS QB 203 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 58 SER QB 170 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
2 59 PHE QB 119 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 60 ILE QG 167 no 65.0 100.0 0.160 0.160 0.000 7 2 no 0.000 0 0
2 61 LEU QB 169 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 61 LEU QD 40 no 100.0 100.0 0.019 0.019 0.000 16 2 no 0.000 0 0
2 62 LYS QB 78 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.062 0 0
2 62 LYS QD 65 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.002 0 0
2 64 ARG QB 71 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.002 0 0
2 64 ARG QG 149 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.052 0 0
2 65 SER QB 93 no 85.0 99.8 0.011 0.011 0.000 10 0 no 0.016 0 0
2 67 VAL QG 11 no 90.0 100.0 0.445 0.445 0.000 37 6 no 0.000 0 0
2 69 ASP QB 103 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.012 0 0
2 70 ILE QG 102 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
2 71 ASP QB 180 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 72 PRO QB 190 no 100.0 100.0 1.849 1.849 0.000 5 2 no 0.001 0 0
2 72 PRO QD 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 72 PRO QG 162 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
2 73 GLN QB 189 no 100.0 100.0 0.076 0.076 0.000 5 2 no 0.009 0 0
2 73 GLN QE 161 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.001 0 0
2 73 GLN QG 101 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.004 0 0
2 74 ASN QB 109 no 0.0 0.0 0.000 0.000 0.000 10 6 no 0.055 0 0
2 75 ASP QB 77 no 95.0 100.0 0.225 0.225 0.000 12 4 no 0.000 0 0
2 76 LEU QB 226 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 76 LEU QD 21 no 100.0 0.0 0.000 0.000 0.000 26 10 no 0.000 0 0
2 78 PHE QB 202 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.022 0 0
2 79 LEU QB 118 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 79 LEU QD 9 no 70.0 100.0 0.004 0.004 0.000 39 2 no 0.000 0 0
2 80 ARG QB 148 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 80 ARG QD 201 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 80 ARG QG 100 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.015 0 0
2 81 ILE QG 200 no 15.0 100.0 0.002 0.002 0.000 4 0 no 0.000 0 0
2 83 SER QB 76 no 90.0 100.0 0.224 0.224 0.000 12 4 no 0.034 0 0
2 84 LYS QB 55 no 100.0 100.0 0.528 0.528 0.000 14 0 no 0.010 0 0
2 84 LYS QG 63 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.010 0 0
2 85 LYS QB 136 no 75.0 86.1 0.004 0.004 0.001 8 2 no 0.107 0 0
2 85 LYS QE 225 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 85 LYS QG 199 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.029 0 0
2 86 ASN QB 143 no 20.0 100.0 0.001 0.001 0.000 8 3 no 0.000 0 0
2 86 ASN QD 198 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 87 GLU QB 99 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.006 0 0
2 88 ILE QG 147 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 89 MET QB 179 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.064 0 0
2 89 MET QG 31 no 100.0 0.0 0.000 0.000 0.000 20 14 no 0.015 0 0
2 90 VAL QG 17 no 50.0 100.0 0.015 0.015 0.000 27 6 no 0.000 0 0
2 92 PRO QB 165 no 85.0 100.0 0.039 0.039 0.000 7 0 no 0.013 0 0
2 92 PRO QD 197 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 92 PRO QG 178 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 94 LYS QB 117 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 94 LYS QD 236 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 94 LYS QG 196 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 95 ASP QB 195 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 96 TYR QB 135 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.016 0 0
2 97 PHE QB 146 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 98 LEU QB 57 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.000 0 0
2 98 LEU QD 25 no 100.0 0.0 0.000 0.000 0.000 20 0 no 0.000 0 0
2 99 ILE QG 177 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 100 VAL QG 113 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
2 101 ILE QG 133 no 25.0 99.8 0.053 0.053 0.000 8 1 no 0.031 0 0
2 102 GLN QB 91 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.036 0 0
2 102 GLN QE 27 no 100.0 100.0 1.161 1.161 0.000 20 10 no 0.011 0 0
2 103 ASN QB 53 no 95.0 98.7 0.292 0.296 0.004 15 10 no 0.268 0 0
2 103 ASN QD 75 no 100.0 100.0 0.253 0.253 0.000 12 4 no 0.001 0 0
2 104 PRO QB 235 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.040 0 0
2 104 PRO QD 145 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.081 0 0
2 104 PRO QG 234 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 106 GLU QB 233 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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