NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451751 |
2roq   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2roq
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 181
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.6
_Stereo_assign_list.Deassign_count 3
_Stereo_assign_list.Deassign_percentage 1.7
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 5.258
_Stereo_assign_list.Total_e_high_states 294.775
_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 4 GLU QB 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 4 GLU QG 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 5 LEU QB 136 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 5 LEU QD 73 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 6 LYS QB 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 6 LYS QG 111 no 40.0 100.0 0.134 0.134 0.000 4 0 no 0.001 0 0
1 8 GLN QB 110 no 10.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 10 PRO QB 168 no 55.0 99.7 0.000 0.000 0.000 2 0 no 0.003 0 0
1 10 PRO QD 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 PRO QG 181 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 11 GLY QA 180 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 12 ARG QB 166 no 95.0 87.9 0.001 0.001 0.000 2 0 no 0.080 0 0
1 12 ARG QD 165 no 55.0 96.1 0.036 0.037 0.001 2 0 no 0.109 0 0
1 12 ARG QG 164 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 14 PRO QD 179 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 15 LYS QB 163 no 55.0 99.9 0.034 0.034 0.000 2 0 no 0.026 0 0
1 17 GLY QA 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 SER QB 135 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 21 ILE QG 49 no 100.0 99.9 2.095 2.097 0.002 10 1 no 0.092 0 0
1 22 ILE QG 59 no 90.0 99.4 0.998 1.004 0.006 8 0 no 0.191 0 0
1 29 LEU QB 178 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 29 LEU QD 4 no 100.0 99.9 2.734 2.737 0.003 37 12 no 0.110 0 0
1 30 LEU QD 1 no 100.0 99.8 10.228 10.245 0.016 50 20 no 0.221 0 0
1 32 CYS QB 85 no 100.0 46.9 0.001 0.003 0.002 5 0 no 0.168 0 0
1 33 ASP QB 108 no 5.0 90.7 0.000 0.000 0.000 4 0 no 0.007 0 0
1 34 VAL QG 9 no 100.0 99.6 3.981 3.995 0.014 32 12 no 0.221 0 0
1 35 GLN QB 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 ASP QB 72 no 20.0 98.1 0.132 0.134 0.002 6 0 no 0.185 0 0
1 38 ASP QB 84 no 5.0 100.0 0.016 0.016 0.000 5 0 no 0.000 0 0
1 41 PHE QB 134 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 42 PHE QB 71 no 100.0 99.2 0.236 0.237 0.002 6 0 no 0.189 0 0
1 44 LEU QD 6 no 100.0 98.4 1.348 1.370 0.021 36 9 no 0.249 0 0
1 47 HIS QB 162 no 90.0 98.6 1.618 1.641 0.023 2 0 no 0.540 0 1
1 49 LEU QD 21 no 100.0 99.2 0.948 0.956 0.008 25 6 no 0.178 0 0
1 50 LEU QB 106 no 80.0 97.5 0.185 0.190 0.005 4 0 no 0.183 0 0
1 50 LEU QD 8 no 100.0 99.9 6.720 6.729 0.009 32 11 no 0.267 0 0
1 52 MET QB 64 no 100.0 98.2 0.844 0.860 0.015 7 0 no 0.253 0 0
1 52 MET QG 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 LYS QB 133 no 65.0 100.0 0.099 0.099 0.000 3 0 no 0.000 0 0
1 54 LEU QD 5 no 100.0 99.6 3.569 3.582 0.013 37 18 no 0.169 0 0
1 57 GLN QB 132 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 57 GLN QE 137 no 50.0 99.9 0.027 0.027 0.000 3 2 no 0.023 0 0
1 57 GLN QG 83 no 100.0 95.2 0.946 0.994 0.048 5 0 no 0.227 0 0
1 58 LEU QB 131 no 100.0 100.0 1.182 1.182 0.000 3 0 no 0.000 0 0
1 58 LEU QD 16 no 100.0 99.9 10.305 10.317 0.011 27 5 no 0.139 0 0
1 60 ARG QB 130 no 55.0 4.4 0.000 0.002 0.002 3 0 no 0.095 0 0
1 60 ARG QG 160 no 60.0 99.8 0.297 0.298 0.001 2 0 no 0.109 0 0
1 61 GLN QB 105 no 95.0 100.0 0.194 0.194 0.000 4 0 no 0.000 0 0
1 61 GLN QG 104 no 30.0 93.6 0.019 0.021 0.001 4 0 no 0.162 0 0
1 62 VAL QG 28 no 100.0 99.7 4.526 4.537 0.012 22 1 no 0.201 0 0
1 64 ARG QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 ARG QG 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 GLN QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 GLN QG 177 no 65.0 98.6 0.092 0.093 0.001 1 0 no 0.093 0 0
1 66 VAL QG 27 no 100.0 99.4 4.998 5.027 0.029 22 1 no 0.359 0 0
1 71 VAL QG 17 no 100.0 99.7 11.733 11.764 0.031 27 8 no 0.252 0 0
1 72 MET QB 176 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 73 VAL QG 24 no 100.0 98.8 6.063 6.136 0.073 23 6 no 0.384 0 0
1 77 VAL QG 2 no 100.0 99.8 11.957 11.976 0.019 39 8 no 0.207 0 0
1 79 LYS QB 129 no 50.0 100.0 0.009 0.009 0.000 3 0 no 0.000 0 0
1 79 LYS QG 156 no 40.0 99.7 0.018 0.018 0.000 2 0 no 0.028 0 0
1 80 LEU QD 30 no 100.0 99.1 2.287 2.308 0.021 21 3 no 0.493 0 0
1 83 ILE QG 55 no 90.0 98.9 0.630 0.637 0.007 9 0 no 0.281 0 0
1 84 ILE QG 54 no 100.0 99.9 2.548 2.551 0.002 9 0 no 0.121 0 0
1 85 ASP QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 GLU QB 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 88 GLU QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 ILE QG 70 no 95.0 99.9 3.911 3.914 0.002 6 0 no 0.127 0 0
1 100 LEU QD 12 no 100.0 99.4 9.577 9.636 0.059 29 7 no 0.286 0 0
1 102 LEU QD 20 no 100.0 99.9 12.460 12.470 0.010 25 5 no 0.266 0 0
1 105 GLY QA 128 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 106 ASN QB 58 no 40.0 95.7 0.079 0.083 0.004 8 0 no 0.153 0 0
1 107 GLY QA 127 no 50.0 100.0 0.070 0.070 0.000 3 0 no 0.018 0 0
1 110 LEU QD 39 no 95.0 99.4 0.679 0.683 0.004 17 11 no 0.152 0 0
1 111 PHE QB 126 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 118 GLY QA 125 no 45.0 99.8 0.340 0.341 0.001 3 0 no 0.062 0 0
1 119 PHE QE 86 no 85.0 81.2 12.980 15.994 3.013 5 2 yes 4.198 7 8
1 121 TRP QB 175 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 125 VAL QG 14 no 100.0 99.4 2.016 2.028 0.012 28 6 no 0.279 0 0
1 126 LEU QD 23 no 100.0 100.0 2.777 2.778 0.001 24 9 no 0.096 0 0
1 128 ARG QB 82 no 70.0 99.9 0.404 0.404 0.000 5 0 no 0.052 0 0
1 130 LEU QD 15 no 100.0 99.6 6.596 6.620 0.024 28 14 no 0.232 0 0
1 132 PRO QB 174 no 60.0 100.0 0.031 0.031 0.000 1 0 no 0.000 0 0
1 136 ILE QG 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 138 GLY QA 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 142 PRO QD 124 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 143 ARG QB 173 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 149 GLN QB 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 149 GLN QG 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 153 ASN QD 123 no 70.0 82.4 0.012 0.015 0.003 3 0 no 0.325 0 0
1 154 LEU QD 33 no 100.0 99.8 2.572 2.577 0.005 20 8 no 0.129 0 0
1 156 GLU QB 69 no 15.0 41.4 0.001 0.003 0.002 6 0 no 0.134 0 0
1 157 VAL QG 29 no 100.0 98.4 1.305 1.326 0.021 22 8 no 0.368 0 0
1 158 CYS QB 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 159 GLU QB 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 159 GLU QG 148 no 95.0 98.9 0.553 0.559 0.006 2 0 no 0.223 0 0
1 161 HIS QB 68 no 25.0 100.0 0.016 0.016 0.000 6 0 no 0.000 0 0
1 162 LEU QD 18 no 100.0 92.8 0.115 0.124 0.009 26 6 no 0.257 0 0
1 165 LEU QB 101 no 95.0 100.0 0.259 0.259 0.000 4 0 no 0.030 0 0
1 165 LEU QD 7 no 100.0 99.6 5.423 5.443 0.020 33 13 no 0.151 0 0
1 166 LEU QB 122 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 166 LEU QD 38 no 100.0 99.8 4.115 4.121 0.007 17 7 no 0.142 0 0
1 167 GLU QB 100 no 95.0 100.0 0.001 0.001 0.000 4 0 no 0.092 0 0
1 168 GLN QB 121 no 15.0 100.0 0.003 0.003 0.000 3 0 no 0.000 0 0
1 169 GLN QB 147 no 100.0 99.6 1.110 1.114 0.004 2 0 no 0.118 0 0
1 169 GLN QG 172 no 30.0 97.9 0.061 0.063 0.001 1 0 no 0.118 0 0
1 170 PRO QB 146 no 100.0 100.0 0.426 0.426 0.000 2 0 no 0.000 0 0
1 170 PRO QG 145 no 45.0 99.3 0.097 0.098 0.001 2 0 no 0.106 0 0
1 171 HIS QB 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 172 GLY QA 99 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.050 0 0
1 174 TYR QE 143 yes 80.0 82.2 3.215 3.912 0.698 2 0 yes 2.674 4 4
1 176 LEU QD 47 no 55.0 100.0 0.769 0.769 0.000 11 5 no 0.028 0 0
1 177 LEU QD 34 no 90.0 100.0 0.876 0.876 0.000 18 4 no 0.026 0 0
1 178 GLY QA 53 no 85.0 100.0 0.158 0.158 0.000 9 0 no 0.000 0 0
1 179 TYR QD 171 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 181 LEU QD 32 no 100.0 98.5 0.742 0.753 0.011 20 8 no 0.158 0 0
1 182 GLY QA 120 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 183 GLY QA 48 no 90.0 98.2 0.140 0.143 0.003 10 0 no 0.137 0 0
1 185 LEU QD 35 no 100.0 99.9 5.641 5.645 0.004 18 8 no 0.204 0 0
1 193 LEU QD 3 no 100.0 99.8 9.346 9.365 0.019 38 17 no 0.156 0 0
1 196 ARG QB 63 no 5.0 80.5 0.001 0.001 0.000 7 0 no 0.041 0 0
1 196 ARG QD 142 no 25.0 100.0 0.010 0.010 0.000 2 0 no 0.000 0 0
1 197 GLY QA 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 198 GLU QG 81 no 70.0 100.0 0.462 0.462 0.000 5 0 no 0.036 0 0
1 199 GLN QG 62 no 75.0 96.7 0.116 0.120 0.004 7 0 no 0.166 0 0
1 200 VAL QG 19 no 100.0 99.9 8.182 8.188 0.006 25 5 no 0.155 0 0
1 203 LEU QD 31 no 100.0 100.0 2.351 2.351 0.000 20 5 no 0.013 0 0
1 204 GLY QA 97 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.033 0 0
1 205 LEU QD 40 no 40.0 100.0 0.070 0.070 0.000 16 5 no 0.006 0 0
1 206 LEU QD 44 no 100.0 99.2 0.569 0.573 0.004 13 0 no 0.190 0 0
1 214 GLN QB 119 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 215 ASN QB 96 no 10.0 97.9 0.001 0.001 0.000 4 0 no 0.021 0 0
1 216 TRP QB 80 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 220 GLU QB 79 no 30.0 97.1 0.027 0.028 0.001 5 0 no 0.112 0 0
1 222 ASN QB 61 no 10.0 99.9 0.017 0.017 0.000 7 0 no 0.016 0 0
1 224 LEU QB 170 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 224 LEU QD 36 no 95.0 99.1 1.883 1.900 0.017 18 9 no 0.416 0 0
1 225 ASP QB 78 no 95.0 100.0 0.472 0.472 0.000 5 0 no 0.000 0 0
1 226 PRO QD 118 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 228 VAL QG 41 no 100.0 99.9 3.967 3.969 0.002 15 0 no 0.122 0 0
1 229 LEU QD 37 no 95.0 98.8 1.316 1.333 0.017 17 5 no 0.240 0 0
1 236 ARG QD 141 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 239 PHE QB 60 no 100.0 100.0 0.008 0.008 0.000 8 1 no 0.367 0 0
1 240 LEU QD 11 no 100.0 99.8 11.290 11.311 0.021 30 10 no 0.190 0 0
1 244 GLN QB 95 no 5.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 245 GLY QA 67 no 45.0 99.5 0.115 0.116 0.001 6 0 no 0.108 0 0
1 248 SER QB 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 250 GLU QB 77 no 75.0 97.5 0.025 0.025 0.001 5 0 no 0.108 0 0
1 251 LEU QD 25 no 100.0 85.6 4.367 5.102 0.735 23 9 yes 3.109 2 3
1 252 PHE QB 74 no 30.0 54.5 0.002 0.003 0.001 6 1 no 0.156 0 0
1 252 PHE QD 51 no 100.0 100.0 32.507 32.518 0.010 10 6 no 0.100 0 0
1 255 ILE QG 57 no 85.0 98.5 0.086 0.087 0.001 8 0 no 0.073 0 0
1 257 GLY QA 56 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 259 TYR QB 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 263 VAL QG 22 no 100.0 99.8 1.139 1.142 0.003 25 10 no 0.104 0 0
1 265 LEU QD 13 no 100.0 99.7 7.772 7.792 0.021 29 9 no 0.351 0 0
1 266 LEU QD 10 no 90.0 98.3 1.071 1.091 0.019 31 13 no 0.202 0 0
1 272 VAL QG 117 no 90.0 100.0 0.976 0.976 0.000 3 0 no 0.000 0 0
1 274 PHE QB 66 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.076 0 0
1 276 GLY QA 140 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 280 LEU QD 65 no 100.0 100.0 7.055 7.057 0.002 7 1 no 0.098 0 0
1 282 VAL QG 42 no 100.0 99.9 1.211 1.213 0.001 14 0 no 0.104 0 0
1 285 ARG QD 116 no 50.0 100.0 0.048 0.048 0.000 3 0 no 0.009 0 0
1 285 ARG QG 92 no 85.0 32.4 0.000 0.001 0.001 4 0 no 0.097 0 0
1 287 LEU QD 52 no 80.0 97.1 0.225 0.232 0.007 9 0 no 0.174 0 0
1 289 GLU QB 139 no 20.0 99.4 0.001 0.001 0.000 2 0 no 0.013 0 0
1 290 GLY QA 91 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 304 LEU QD 46 no 100.0 99.6 4.353 4.370 0.017 11 0 no 0.196 0 0
1 307 TYR QB 115 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 308 ARG QG 90 no 60.0 95.2 0.027 0.029 0.001 4 0 no 0.155 0 0
1 314 VAL QG 43 no 100.0 99.9 2.864 2.867 0.002 13 0 no 0.115 0 0
1 315 ASP QB 76 no 95.0 94.9 0.000 0.000 0.000 5 0 no 0.047 0 0
1 322 PHE QB 50 no 100.0 99.8 2.111 2.116 0.005 10 2 no 0.128 0 0
1 323 GLU QB 89 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 323 GLU QG 88 no 10.0 65.3 0.000 0.001 0.000 4 0 no 0.048 0 0
1 327 PRO QG 169 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 333 LEU QD 26 no 100.0 99.9 9.298 9.306 0.008 23 12 no 0.140 0 0
1 334 ASN QB 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 335 ARG QD 138 no 25.0 100.0 0.012 0.012 0.000 2 0 no 0.010 0 0
1 335 ARG QG 75 no 85.0 99.9 0.331 0.332 0.000 5 0 no 0.068 0 0
1 336 LEU QD 45 no 100.0 99.6 0.508 0.510 0.002 13 4 no 0.152 0 0
stop_
save_
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