NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
590006 | 2mqn | 25040 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mqn save_assign_stereo _Stereo_assign_list.Sf_category stereo_assignments _Stereo_assign_list.Triplet_count 195 _Stereo_assign_list.Swap_count 1 _Stereo_assign_list.Swap_percentage 0.5 _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 0.098 _Stereo_assign_list.Total_e_high_states 12.135 _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 1 ASP QB 194 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.140 0 0 1 2 TYR QB 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 3 GLY QA 193 no 0.0 0.0 0.000 0.002 0.002 2 0 no 0.118 0 0 1 4 PRO QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 8 SER QB 67 no 20.0 23.9 0.000 0.001 0.001 6 0 no 0.113 0 0 1 9 PRO QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 9 PRO QD 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 10 VAL QG 7 no 100.0 0.0 0.000 0.006 0.006 16 0 no 0.162 0 0 1 11 LEU QB 71 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0 1 11 LEU QD 21 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.047 0 0 1 12 MET QB 66 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.054 0 0 1 12 MET QG 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.032 0 0 1 13 VAL QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 14 TYR QB 37 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0 1 16 LEU QD 3 no 60.0 100.0 0.084 0.084 0.000 20 0 no 0.000 0 0 1 17 ASP QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 18 GLN QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 18 GLN QG 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 20 LYS QD 65 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.057 0 0 1 21 MET QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 21 MET QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 22 ASN QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 23 CYS QB 5 no 0.0 0.0 0.000 0.000 0.000 18 8 no 0.059 0 0 1 26 VAL QG 16 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0 1 27 PHE QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 27 PHE QD 181 yes 100.0 99.9 4.255 4.258 0.003 2 0 no 0.154 0 0 1 29 VAL QG 9 no 10.0 0.0 0.000 0.015 0.015 16 4 no 0.197 0 0 1 30 PHE QB 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 32 LEU QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 32 LEU QD 10 no 25.0 73.0 0.005 0.008 0.002 15 4 no 0.123 0 0 1 33 TYR QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 34 GLY QA 64 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.099 0 0 1 35 ASN QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 36 VAL QG 26 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0 1 37 GLU QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 37 GLU QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 38 LYS QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.030 0 0 1 39 VAL QG 8 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.052 0 0 1 43 LYS QB 111 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0 1 43 LYS QD 110 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0 1 43 LYS QE 174 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.080 0 0 1 43 LYS QG 173 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.119 0 0 1 45 LYS QB 63 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 47 GLY QA 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0 1 50 MET QB 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.047 0 0 1 50 MET QG 25 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0 1 51 VAL QG 36 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0 1 53 MET QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 55 ASP QB 105 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 57 TYR QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 59 VAL QG 15 no 100.0 100.0 0.155 0.155 0.000 12 0 no 0.005 0 0 1 60 ASP QB 104 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 61 ARG QB 62 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 61 ARG QG 61 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.097 0 0 1 65 HIS QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 66 LEU QD 60 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.066 0 0 1 67 ASN QB 59 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.102 0 0 1 69 ASN QB 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 70 PHE QB 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 71 MET QB 101 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 71 MET QG 35 no 100.0 98.2 0.055 0.056 0.001 8 0 no 0.087 0 0 1 72 PHE QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 74 GLN QB 58 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 74 GLN QG 57 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 75 LYS QB 56 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 75 LYS QG 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 76 MET QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 76 MET QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 77 ASN QB 34 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0 1 78 VAL QG 24 no 5.0 4.8 0.000 0.000 0.000 10 0 no 0.049 0 0 1 79 CYS QB 164 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.102 0 0 1 80 VAL QG 163 no 100.0 100.0 2.419 2.419 0.000 2 0 no 0.000 0 0 1 82 LYS QD 100 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.193 0 0 1 83 GLN QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 83 GLN QG 55 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.098 0 0 1 84 PRO QD 99 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 86 ILE QG 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 87 MET QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 87 MET QG 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 91 SER QB 54 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.037 0 0 1 92 TYR QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 94 LEU QB 70 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0 1 94 LEU QD 2 no 5.0 10.3 0.000 0.000 0.000 24 4 no 0.055 0 0 1 95 GLU QG 53 no 100.0 0.0 0.000 0.016 0.016 6 0 no 0.173 0 0 1 96 ASP QB 96 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 98 SER QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 99 CYS QB 52 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 101 TYR QB 51 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 102 LYS QB 39 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0 1 102 LYS QD 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 102 LYS QE 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 102 LYS QG 50 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 103 ASP QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 106 GLU QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 106 GLU QG 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 107 SER QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 110 ASN QB 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 112 PHE QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.039 0 0 1 113 SER QB 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 115 PRO QD 49 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 116 GLU QB 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 116 GLU QG 93 no 55.0 73.5 0.001 0.001 0.000 4 0 no 0.054 0 0 1 117 GLN QB 48 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 120 LYS QB 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 120 LYS QG 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 121 ASN QB 92 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.012 0 0 1 122 ARG QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 123 ILE QG 147 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.132 0 0 1 126 PRO QB 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 127 SER QB 91 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 129 VAL QG 11 no 100.0 99.2 0.294 0.297 0.002 13 0 no 0.149 0 0 1 130 LEU QB 90 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 130 LEU QD 33 no 0.0 0.0 0.000 0.007 0.007 8 0 no 0.173 0 0 1 133 PHE QB 112 no 100.0 97.9 0.175 0.179 0.004 3 0 no 0.132 0 0 1 134 ASN QB 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 137 LEU QB 89 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 137 LEU QD 14 no 60.0 9.2 0.000 0.003 0.003 12 0 no 0.179 0 0 1 138 GLU QG 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 139 VAL QG 1 no 100.0 0.0 0.000 0.004 0.004 24 0 no 0.105 0 0 1 141 GLU QB 28 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0 1 141 GLU QG 32 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.077 0 0 1 142 GLU QG 88 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 143 ASN QB 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 145 PHE QB 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 146 GLU QB 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 146 GLU QG 31 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0 1 147 ILE QG 47 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 148 CYS QB 141 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 149 ASP QB 86 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 150 GLU QB 46 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 150 GLU QG 27 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.075 0 0 1 151 LEU QD 4 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.075 0 0 1 152 GLY QA 140 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 153 VAL QG 6 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.000 0 0 1 154 LYS QB 139 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 154 LYS QD 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 155 ARG QG 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 156 PRO QB 45 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 158 SER QB 136 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 159 VAL QG 20 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0 1 160 LYS QB 85 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.108 0 0 1 160 LYS QE 44 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.151 0 0 1 161 VAL QG 19 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0 1 162 PHE QB 84 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 169 SER QB 135 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 170 SER QB 134 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 171 SER QB 43 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 172 GLY QA 69 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0 1 173 LEU QB 133 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 173 LEU QD 132 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.057 0 0 1 174 LEU QB 131 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 174 LEU QD 42 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 175 GLU QB 130 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 175 GLU QG 129 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 177 ASP QB 41 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 178 SER QB 30 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.023 0 0 1 180 SER QB 83 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 183 LEU QB 82 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 183 LEU QD 29 no 100.0 100.0 3.698 3.698 0.000 9 0 no 0.000 0 0 1 184 GLU QB 81 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 186 LEU QB 128 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 186 LEU QD 12 no 65.0 98.9 0.433 0.438 0.005 13 4 no 0.151 0 0 1 187 GLY QA 127 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 188 PHE QB 18 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.038 0 0 1 188 PHE QD 195 no 25.0 99.9 0.462 0.462 0.001 1 0 no 0.109 0 0 1 189 LEU QB 40 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 189 LEU QD 23 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.042 0 0 1 192 TYR QB 80 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 193 GLN QB 79 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 193 GLN QG 126 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 194 MET QB 68 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0 1 194 MET QG 22 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0 1 195 LYS QB 125 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 195 LYS QG 78 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0 1 196 ASN QB 77 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.064 0 0 1 197 PRO QD 76 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 198 ASN QB 75 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 199 GLY QA 124 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 200 PRO QD 74 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 200 PRO QG 123 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 201 TYR QB 73 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 202 PRO QB 122 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 202 PRO QG 121 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 203 TYR QB 17 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0 1 205 LEU QD 13 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.024 0 0 1 206 LYS QB 120 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 206 LYS QG 119 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 207 LEU QB 118 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 207 LEU QD 117 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 208 CYS QB 38 no 0.0 0.0 0.000 0.002 0.002 8 4 no 0.123 0 0 1 209 PHE QB 116 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 210 SER QB 115 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.071 0 0 1 213 GLN QB 114 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 214 HIS QB 113 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 216 SER QB 72 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.083 0 0 stop_ save_
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