NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
503135 | 2l9s | 17485 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2l9s save_assign_stereo _Stereo_assign_list.Sf_category stereo_assignments _Stereo_assign_list.Triplet_count 180 _Stereo_assign_list.Swap_count 9 _Stereo_assign_list.Swap_percentage 5.0 _Stereo_assign_list.Deassign_count 24 _Stereo_assign_list.Deassign_percentage 13.3 _Stereo_assign_list.Model_count 20 _Stereo_assign_list.Total_e_low_states 21.759 _Stereo_assign_list.Total_e_high_states 83.046 _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 2 ASN QB 134 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0 1 2 ASN QD 161 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0 1 4 ASP QB 167 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0 1 6 VAL QG 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 7 GLN QB 115 no 15.0 89.6 0.011 0.013 0.001 7 3 no 0.121 0 0 1 7 GLN QE 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 7 GLN QG 180 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0 1 8 PRO QB 32 no 60.0 58.0 0.105 0.181 0.076 17 15 no 0.524 0 2 1 8 PRO QD 46 no 95.0 99.5 0.620 0.623 0.003 15 11 no 0.136 0 0 1 8 PRO QG 148 no 30.0 55.3 0.020 0.035 0.016 3 3 no 0.253 0 0 1 9 GLN QB 73 no 55.0 33.1 0.017 0.051 0.034 12 9 no 0.413 0 0 1 10 LEU QB 106 no 75.0 66.9 0.160 0.238 0.079 9 7 no 0.608 0 2 1 10 LEU QD 50 no 55.0 47.2 0.780 1.654 0.874 14 11 yes 1.973 3 18 1 11 ARG QB 139 no 65.0 34.7 0.031 0.090 0.059 4 1 no 0.658 0 5 1 11 ARG QD 123 no 60.0 8.0 0.007 0.090 0.083 6 1 no 0.658 0 5 1 12 ARG QB 166 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0 1 12 ARG QG 165 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0 1 13 PRO QB 151 no 85.0 98.7 0.290 0.294 0.004 2 0 no 0.130 0 0 1 13 PRO QD 144 no 15.0 68.9 0.001 0.001 0.000 3 0 no 0.067 0 0 1 14 PHE QB 127 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.078 0 0 1 15 GLU QB 179 no 50.0 53.8 0.050 0.092 0.043 1 1 no 0.580 0 1 1 16 LEU QB 85 no 75.0 56.3 1.639 2.914 1.275 11 7 yes 1.035 2 4 1 16 LEU QD 11 no 55.0 23.8 0.491 2.064 1.574 30 12 yes 1.489 12 26 1 17 LEU QB 91 no 50.0 39.8 0.620 1.558 0.939 10 3 yes 0.951 0 19 1 17 LEU QD 7 no 70.0 30.9 0.417 1.349 0.932 33 12 yes 1.494 13 19 1 18 ILE QG 126 no 35.0 72.0 0.085 0.118 0.033 6 2 no 0.594 0 1 1 22 MET QB 64 no 55.0 81.3 0.096 0.118 0.022 12 2 no 0.322 0 0 1 23 GLU QB 108 no 45.0 52.3 0.063 0.120 0.057 8 1 no 0.580 0 1 1 24 ARG QB 63 no 30.0 100.0 0.001 0.001 0.000 12 2 no 0.098 0 0 1 24 ARG QG 138 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0 1 25 ASN QB 72 no 45.0 11.5 0.001 0.007 0.006 12 8 no 0.268 0 0 1 25 ASN QD 141 no 100.0 99.9 0.499 0.499 0.001 4 3 no 0.102 0 0 1 26 PRO QB 96 no 50.0 92.4 0.037 0.040 0.003 10 6 no 0.166 0 0 1 26 PRO QD 81 yes 100.0 97.2 0.195 0.200 0.006 11 6 no 0.187 0 0 1 26 PRO QG 137 no 100.0 0.0 0.000 0.000 0.000 5 5 no 0.000 0 0 1 28 GLN QE 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 29 PHE QB 75 no 95.0 88.8 0.031 0.035 0.004 11 1 no 0.741 0 1 1 30 GLN QB 87 no 80.0 83.2 0.283 0.340 0.057 11 10 no 0.653 0 3 1 30 GLN QE 160 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0 1 30 GLN QG 84 no 90.0 64.1 0.011 0.017 0.006 11 7 no 0.550 0 1 1 31 LEU QB 52 no 95.0 89.2 0.573 0.642 0.069 14 12 no 0.509 0 1 1 31 LEU QD 107 no 60.0 46.5 0.059 0.126 0.067 9 8 no 0.400 0 0 1 32 PRO QB 51 no 45.0 47.7 0.025 0.052 0.027 14 12 no 0.324 0 0 1 32 PRO QD 24 no 55.0 89.6 0.868 0.969 0.101 18 15 no 0.658 0 3 1 32 PRO QG 178 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0 1 33 ASN QD 159 no 100.0 100.0 0.000 0.000 0.000 2 2 no 0.012 0 0 1 34 GLU QB 57 no 20.0 23.1 0.005 0.024 0.018 13 5 no 0.305 0 0 1 35 LEU QB 71 no 65.0 92.1 0.135 0.146 0.012 12 7 no 0.389 0 0 1 35 LEU QD 61 no 40.0 2.1 0.010 0.479 0.469 13 8 yes 1.783 4 5 1 41 LEU QB 62 no 75.0 92.2 0.366 0.397 0.031 13 12 no 0.501 0 1 1 41 LEU QD 112 no 55.0 49.6 0.032 0.064 0.032 8 7 no 0.104 0 0 1 42 PRO QB 74 no 25.0 16.2 0.005 0.033 0.027 12 12 no 0.324 0 0 1 42 PRO QD 33 no 40.0 60.6 0.202 0.333 0.131 17 16 yes 1.120 2 8 1 42 PRO QG 136 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0 1 44 SER QB 164 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0 2 2 ASN QB 133 yes 85.0 63.4 0.377 0.595 0.218 5 2 yes 1.320 3 3 2 5 LEU QB 47 no 55.0 4.3 0.004 0.084 0.080 14 6 no 0.422 0 0 2 5 LEU QD 98 no 60.0 34.1 0.381 1.119 0.737 10 7 yes 1.948 3 5 2 6 GLN QB 122 no 35.0 100.0 0.016 0.016 0.000 6 1 no 0.000 0 0 2 7 ASN QB 131 no 5.0 40.8 0.005 0.011 0.007 6 5 no 0.261 0 0 2 8 ASN QB 135 no 45.0 20.7 0.090 0.432 0.342 5 4 no 0.504 0 1 2 9 GLN QB 78 no 80.0 55.5 0.265 0.477 0.212 11 5 no 0.674 0 4 2 9 GLN QG 83 no 65.0 39.7 0.836 2.103 1.267 11 7 yes 2.644 4 7 2 10 PRO QB 82 no 95.0 92.1 0.048 0.052 0.004 11 7 no 0.000 0 0 2 10 PRO QD 156 no 10.0 87.0 0.053 0.061 0.008 2 1 no 0.262 0 0 2 10 PRO QG 158 no 15.0 97.0 0.130 0.134 0.004 2 2 no 0.000 0 0 2 11 VAL QG 43 no 90.0 78.7 2.108 2.679 0.571 15 7 yes 1.882 1 5 2 12 GLU QB 92 no 60.0 87.4 0.017 0.020 0.002 10 4 no 0.224 0 0 2 12 GLU QG 177 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0 2 13 PHE QB 132 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0 2 14 ASN QB 90 no 70.0 64.2 0.164 0.256 0.092 10 3 no 0.704 0 2 2 15 HIS QB 99 no 60.0 74.9 0.640 0.855 0.214 9 1 no 0.005 0 0 2 17 ILE QG 10 no 95.0 100.0 0.100 0.100 0.000 30 2 no 0.000 0 0 2 18 ASN QB 66 yes 85.0 83.0 0.571 0.687 0.117 12 5 yes 1.025 1 2 2 19 TYR QB 100 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0 2 20 VAL QG 3 no 95.0 87.4 3.187 3.646 0.458 39 11 yes 1.071 2 13 2 21 ASN QB 130 no 70.0 94.9 0.061 0.065 0.003 6 5 no 0.521 0 1 2 22 LYS QB 29 no 100.0 98.2 0.481 0.490 0.009 17 9 no 0.221 0 0 2 22 LYS QD 145 no 60.0 96.2 0.115 0.119 0.004 3 2 no 0.144 0 0 2 22 LYS QE 38 no 60.0 17.6 0.007 0.039 0.032 16 12 no 0.394 0 0 2 22 LYS QG 13 no 55.0 14.5 0.007 0.048 0.041 27 21 no 0.484 0 0 2 23 ILE QG 19 no 100.0 30.5 0.135 0.441 0.307 19 7 yes 1.482 3 4 2 24 LYS QB 27 no 95.0 92.6 0.507 0.548 0.041 17 8 no 0.484 0 0 2 24 LYS QD 176 no 40.0 38.5 0.011 0.029 0.018 1 1 no 0.348 0 0 2 24 LYS QG 103 no 70.0 65.3 0.097 0.148 0.051 9 5 no 0.309 0 0 2 25 ASN QB 125 yes 75.0 79.7 0.189 0.237 0.048 6 2 no 0.660 0 2 2 26 ARG QB 30 no 95.0 100.0 0.008 0.008 0.000 17 10 no 0.315 0 0 2 26 ARG QD 114 no 20.0 34.1 0.104 0.305 0.201 7 3 yes 1.208 2 4 2 26 ARG QG 80 no 10.0 32.2 0.032 0.099 0.067 11 6 yes 1.207 1 1 2 27 PHE QB 76 no 100.0 100.0 0.006 0.006 0.000 11 2 no 0.329 0 0 2 28 GLN QB 54 no 90.0 88.1 0.113 0.129 0.015 13 3 no 0.171 0 0 2 28 GLN QG 175 no 90.0 93.0 0.029 0.031 0.002 1 1 no 0.432 0 0 2 29 GLY QA 121 yes 90.0 87.9 0.224 0.255 0.031 6 1 no 0.432 0 0 2 30 GLN QB 21 no 90.0 88.3 0.264 0.298 0.035 19 11 no 0.455 0 0 2 30 GLN QG 37 no 60.0 65.1 0.063 0.097 0.034 16 12 no 0.413 0 0 2 31 PRO QB 97 no 100.0 0.0 0.000 0.000 0.000 10 7 no 0.000 0 0 2 31 PRO QD 56 no 100.0 0.0 0.000 0.000 0.000 13 5 no 0.000 0 0 2 31 PRO QG 142 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0 2 32 ASP QB 110 no 45.0 67.5 0.027 0.039 0.013 8 2 no 0.308 0 0 2 33 ILE QG 16 no 50.0 68.4 0.013 0.019 0.006 21 6 no 0.251 0 0 2 34 TYR QB 149 no 5.0 100.0 0.066 0.066 0.000 2 0 no 0.001 0 0 2 35 LYS QB 155 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0 2 35 LYS QG 18 no 85.0 18.3 0.004 0.021 0.017 20 13 no 0.348 0 0 2 37 PHE QB 36 no 95.0 1.6 0.009 0.529 0.520 16 8 no 0.053 0 0 2 38 LEU QB 28 no 100.0 40.5 0.142 0.351 0.209 17 9 no 0.000 0 0 2 38 LEU QD 4 no 100.0 95.4 10.674 11.189 0.515 38 13 yes 1.500 2 10 2 39 GLU QB 174 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0 2 40 ILE QG 23 no 80.0 34.4 0.003 0.009 0.006 18 5 no 0.123 0 0 2 41 LEU QB 105 no 100.0 0.0 0.000 0.000 0.000 9 7 no 0.000 0 0 2 41 LEU QD 6 no 55.0 13.3 0.310 2.337 2.026 35 22 yes 1.905 12 29 2 42 HIS QB 111 no 100.0 100.0 0.000 0.000 0.000 8 3 no 0.047 0 0 2 44 TYR QB 14 no 100.0 99.6 0.310 0.311 0.001 25 14 no 0.071 0 0 2 45 GLN QB 53 no 45.0 94.9 0.069 0.072 0.004 13 2 no 0.251 0 0 2 45 GLN QG 113 no 20.0 99.8 0.018 0.018 0.000 7 1 no 0.028 0 0 2 46 LYS QB 173 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0 2 46 LYS QD 172 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0 2 46 LYS QE 95 no 45.0 17.2 0.052 0.301 0.249 10 6 yes 1.323 3 5 2 46 LYS QG 69 no 90.0 76.8 0.000 0.001 0.000 12 6 no 0.077 0 0 2 47 GLU QG 129 no 100.0 100.0 0.003 0.003 0.000 6 4 no 0.230 0 0 2 48 GLN QB 49 no 75.0 89.8 0.064 0.071 0.007 14 8 no 0.115 0 0 2 48 GLN QG 104 no 75.0 54.9 0.006 0.010 0.005 9 6 no 0.318 0 0 2 49 ARG QB 140 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0 2 49 ARG QD 163 no 95.0 55.4 0.000 0.000 0.000 1 0 no 0.077 0 0 2 49 ARG QG 26 no 85.0 98.4 0.153 0.156 0.003 17 7 no 0.219 0 0 2 50 ASN QB 41 no 85.0 66.7 0.278 0.417 0.139 15 6 yes 1.107 1 3 2 52 LYS QB 147 no 95.0 62.4 0.002 0.004 0.001 3 3 no 0.192 0 0 2 52 LYS QE 171 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0 2 52 LYS QG 60 no 60.0 55.9 0.003 0.005 0.002 13 7 no 0.154 0 0 2 53 GLU QB 59 no 85.0 73.7 0.400 0.543 0.143 13 7 no 0.526 0 1 2 53 GLU QG 45 no 55.0 6.3 0.001 0.018 0.017 15 8 no 0.387 0 0 2 55 GLY QA 128 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0 2 56 GLY QA 77 no 100.0 100.0 0.004 0.004 0.000 11 4 no 0.256 0 0 2 57 ASN QB 118 no 10.0 47.0 0.003 0.006 0.003 7 7 no 0.087 0 0 2 58 TYR QB 22 no 95.0 25.0 0.003 0.012 0.009 18 4 no 0.170 0 0 2 60 PRO QB 34 no 100.0 99.8 0.284 0.285 0.001 16 5 no 0.091 0 0 2 60 PRO QD 117 no 95.0 99.6 0.487 0.489 0.002 7 4 no 0.137 0 0 2 60 PRO QG 42 no 100.0 100.0 0.267 0.268 0.000 15 7 no 0.048 0 0 2 62 LEU QB 25 no 100.0 32.5 0.000 0.001 0.001 17 5 no 0.070 0 0 2 62 LEU QD 9 no 65.0 24.2 0.099 0.410 0.311 31 18 no 0.864 0 11 2 64 GLU QB 68 no 10.0 0.9 0.000 0.019 0.019 12 6 no 0.113 0 0 2 64 GLU QG 67 no 30.0 30.9 0.032 0.103 0.071 12 6 no 0.456 0 0 2 65 GLN QB 93 no 100.0 99.7 0.027 0.027 0.000 10 5 no 0.026 0 0 2 65 GLN QG 124 no 70.0 98.4 0.001 0.001 0.000 6 2 no 0.010 0 0 2 66 GLU QB 44 no 55.0 79.2 0.181 0.229 0.048 15 8 no 0.864 0 9 2 66 GLU QG 146 no 5.0 100.0 0.000 0.000 0.000 3 3 no 0.000 0 0 2 67 VAL QG 8 yes 100.0 97.3 3.859 3.965 0.106 32 16 no 0.217 0 0 2 68 TYR QB 17 no 100.0 98.0 0.058 0.059 0.001 21 12 no 0.048 0 0 2 70 GLN QB 102 no 100.0 100.0 0.509 0.509 0.000 9 5 no 0.026 0 0 2 70 GLN QG 55 no 60.0 66.3 0.103 0.155 0.052 13 5 no 0.735 0 1 2 71 VAL QG 2 no 60.0 54.8 0.871 1.589 0.718 40 18 yes 1.719 14 24 2 73 ARG QB 162 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0 2 73 ARG QG 65 no 90.0 8.0 0.001 0.009 0.009 12 3 no 0.256 0 0 2 74 LEU QB 39 no 90.0 76.4 0.022 0.029 0.007 15 4 no 0.619 0 1 2 74 LEU QD 12 no 55.0 13.2 0.093 0.705 0.612 28 12 no 0.697 0 1 2 75 PHE QB 48 no 100.0 100.0 0.232 0.232 0.000 14 7 no 0.085 0 0 2 76 LYS QB 89 no 45.0 0.1 0.000 0.120 0.120 10 3 no 0.703 0 5 2 76 LYS QD 170 no 100.0 86.4 0.000 0.000 0.000 1 1 no 0.012 0 0 2 77 ASN QB 143 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0 2 78 GLN QB 70 no 90.0 85.5 0.022 0.026 0.004 12 7 no 0.411 0 0 2 78 GLN QG 86 no 30.0 17.5 0.002 0.011 0.009 11 8 no 0.421 0 0 2 79 GLU QG 169 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0 2 80 ASP QB 101 no 95.0 12.3 0.007 0.058 0.050 9 5 no 0.735 0 1 2 81 LEU QB 31 no 100.0 89.2 2.578 2.891 0.313 17 12 yes 1.377 2 4 2 81 LEU QD 5 no 100.0 99.8 8.971 8.992 0.021 38 24 no 0.421 0 0 2 82 LEU QB 20 no 40.0 22.9 0.072 0.317 0.244 19 8 no 0.859 0 4 2 82 LEU QD 1 no 75.0 54.8 1.933 3.525 1.592 42 27 yes 1.621 5 7 2 84 GLU QB 79 no 30.0 28.6 0.036 0.128 0.091 11 6 no 0.098 0 0 2 84 GLU QG 157 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0 2 85 PHE QB 35 yes 95.0 62.6 0.886 1.414 0.529 16 8 no 0.012 0 0 2 86 GLY QA 116 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0 2 87 GLN QB 120 no 70.0 57.7 0.011 0.019 0.008 6 0 no 0.210 0 0 2 87 GLN QG 154 no 30.0 46.8 0.046 0.098 0.052 2 1 no 0.554 0 2 2 88 PHE QB 88 yes 95.0 96.7 0.103 0.107 0.003 10 2 no 0.000 0 0 2 89 LEU QB 40 no 80.0 54.3 0.011 0.021 0.010 15 6 no 0.348 0 0 2 89 LEU QD 15 no 85.0 94.0 6.411 6.819 0.408 24 14 yes 1.599 3 7 2 90 PRO QB 94 no 30.0 94.3 0.034 0.036 0.002 10 6 no 0.162 0 0 2 90 PRO QD 58 yes 100.0 96.8 0.131 0.135 0.004 13 6 no 0.146 0 0 2 90 PRO QG 168 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0 2 91 ASP QB 119 no 5.0 100.0 0.006 0.006 0.000 6 0 no 0.000 0 0 2 93 ASN QB 109 no 10.0 75.0 0.003 0.004 0.001 8 2 no 0.139 0 0 stop_ save_
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