NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
542947 |
2lft   |
17780 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lft
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 185
_Stereo_assign_list.Swap_count 16
_Stereo_assign_list.Swap_percentage 8.6
_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 91.167
_Stereo_assign_list.Total_e_high_states 2248.559
_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 GLN QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.019 0 0
1 10 TRP QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 ASN QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 ASN QD 185 no 0.0 0.0 0.000 0.000 0.000 2 2 no 0.008 0 0
1 12 LYS QB 184 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.038 0 0
1 12 LYS QD 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 12 LYS QG 137 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.030 0 0
1 13 PRO QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 PRO QD 27 no 100.0 100.0 3.299 3.300 0.001 16 8 no 0.038 0 0
1 14 SER QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.022 0 0
1 15 LYS QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 LYS QD 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 LYS QG 136 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 16 PRO QB 172 no 100.0 100.0 0.427 0.427 0.000 2 0 no 0.000 0 0
1 16 PRO QD 135 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.025 0 0
1 16 PRO QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 LYS QG 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 MET QG 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 LYS QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 LYS QG 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 HIS QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 GLY QA 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.028 0 0
1 32 VAL QG 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 LEU QB 21 no 100.0 71.9 13.363 18.584 5.221 17 10 no 0.030 0 0
1 36 LEU QD 19 no 60.0 11.1 0.757 6.804 6.047 18 10 no 0.089 0 0
1 37 GLY QA 116 no 100.0 100.0 2.358 2.358 0.000 7 4 no 0.015 0 0
1 38 GLY QA 144 no 100.0 99.9 0.564 0.564 0.001 5 5 no 0.037 0 0
1 39 TYR QB 47 no 100.0 100.0 3.710 3.711 0.000 14 7 no 0.045 0 0
1 39 TYR QD 10 yes 100.0 100.0 123.047 123.047 0.001 23 13 no 0.037 0 0
1 39 TYR QE 142 yes 100.0 100.0 41.697 41.697 0.000 5 4 no 0.012 0 0
1 40 MET QB 54 no 100.0 99.9 1.624 1.626 0.002 13 5 no 0.053 0 0
1 40 MET QG 131 no 100.0 100.0 2.967 2.967 0.000 6 2 no 0.008 0 0
1 41 LEU QB 62 no 100.0 100.0 2.181 2.182 0.001 12 4 no 0.033 0 0
1 41 LEU QD 7 no 15.0 0.0 0.000 0.363 0.363 24 12 no 0.097 0 0
1 42 GLY QA 139 no 100.0 99.9 1.067 1.067 0.001 5 0 no 0.051 0 0
1 43 SER QB 99 no 100.0 100.0 1.495 1.495 0.000 8 0 no 0.023 0 0
1 45 MET QB 112 no 100.0 100.0 1.247 1.247 0.000 7 2 no 0.000 0 0
1 45 MET QG 77 no 100.0 100.0 2.504 2.504 0.000 11 5 no 0.002 0 0
1 48 PRO QB 149 no 100.0 100.0 0.001 0.001 0.000 4 2 no 0.090 0 0
1 48 PRO QD 107 no 100.0 100.0 0.770 0.770 0.000 8 6 no 0.017 0 0
1 48 PRO QG 124 no 100.0 100.0 3.363 3.364 0.000 6 1 no 0.021 0 0
1 49 ILE QG 130 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.079 0 0
1 50 ILE QG 46 no 100.0 100.0 2.760 2.760 0.000 14 7 no 0.008 0 0
1 51 HIS QB 122 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.023 0 0
1 52 PHE QB 49 no 100.0 100.0 2.647 2.647 0.000 14 9 no 0.039 0 0
1 52 PHE QD 20 yes 100.0 100.0 84.925 84.925 0.000 17 9 no 0.003 0 0
1 52 PHE QE 12 yes 100.0 100.0 80.244 80.245 0.002 19 9 no 0.061 0 0
1 53 GLY QA 78 no 100.0 100.0 4.157 4.157 0.000 11 6 no 0.025 0 0
1 54 SER QB 60 no 100.0 100.0 3.564 3.565 0.001 12 3 no 0.061 0 0
1 55 ASP QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 56 TYR QB 65 no 100.0 100.0 8.788 8.788 0.000 12 5 no 0.013 0 0
1 56 TYR QD 57 no 100.0 100.0 61.638 61.638 0.000 13 8 no 0.015 0 0
1 56 TYR QE 154 no 100.0 100.0 10.865 10.865 0.000 3 2 no 0.000 0 0
1 57 GLU QB 76 no 100.0 100.0 2.014 2.014 0.000 11 5 no 0.039 0 0
1 57 GLU QG 38 no 100.0 100.0 2.664 2.664 0.000 15 11 no 0.009 0 0
1 58 ASP QB 121 no 100.0 100.0 1.297 1.297 0.000 6 0 no 0.031 0 0
1 59 ARG QB 92 no 100.0 100.0 5.758 5.758 0.000 9 1 no 0.016 0 0
1 59 ARG QD 129 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.013 0 0
1 59 ARG QG 35 no 100.0 100.0 1.635 1.636 0.000 15 6 no 0.029 0 0
1 60 TYR QB 114 no 100.0 100.0 3.312 3.312 0.000 7 3 no 0.032 0 0
1 60 TYR QD 64 no 100.0 100.0 63.133 63.133 0.000 12 5 no 0.026 0 0
1 60 TYR QE 152 no 100.0 100.0 9.174 9.174 0.000 3 0 no 0.004 0 0
1 61 TYR QB 42 no 100.0 100.0 4.157 4.157 0.000 14 3 no 0.004 0 0
1 61 TYR QD 4 yes 100.0 97.1 119.273 122.788 3.515 26 9 no 0.007 0 0
1 61 TYR QE 18 yes 100.0 100.0 94.112 94.113 0.001 18 9 no 0.083 0 0
1 62 ARG QB 101 no 100.0 99.5 0.141 0.142 0.001 8 1 no 0.079 0 0
1 62 ARG QG 183 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 63 GLU QB 63 no 100.0 100.0 4.149 4.150 0.001 12 5 no 0.057 0 0
1 63 GLU QG 72 no 100.0 100.0 3.463 3.464 0.000 11 3 no 0.029 0 0
1 64 ASN QD 128 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.034 0 0
1 65 MET QB 56 no 100.0 100.0 2.001 2.002 0.001 13 6 no 0.036 0 0
1 65 MET QG 69 no 100.0 100.0 1.972 1.972 0.000 11 0 no 0.010 0 0
1 67 ARG QB 45 no 100.0 99.9 1.213 1.215 0.001 14 6 no 0.093 0 0
1 67 ARG QD 106 no 0.0 0.0 0.000 0.000 0.000 8 6 no 0.037 0 0
1 67 ARG QG 61 no 75.0 99.9 0.079 0.079 0.000 12 4 no 0.021 0 0
1 68 TYR QB 67 no 100.0 100.0 7.044 7.044 0.000 12 7 no 0.003 0 0
1 68 TYR QD 5 yes 100.0 88.8 120.568 135.799 15.231 26 13 no 0.027 0 0
1 68 TYR QE 6 yes 100.0 90.9 127.154 139.856 12.702 26 14 no 0.025 0 0
1 69 PRO QB 100 no 100.0 100.0 2.006 2.006 0.001 8 1 no 0.047 0 0
1 69 PRO QD 81 no 100.0 100.0 1.463 1.463 0.000 11 10 no 0.025 0 0
1 69 PRO QG 110 no 100.0 100.0 3.586 3.586 0.000 7 1 no 0.013 0 0
1 70 ASN QB 120 no 100.0 100.0 1.370 1.370 0.000 6 0 no 0.009 0 0
1 70 ASN QD 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 71 GLN QB 88 no 100.0 100.0 3.091 3.091 0.000 10 4 no 0.024 0 0
1 71 GLN QE 87 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.086 0 0
1 71 GLN QG 29 no 100.0 98.9 0.749 0.758 0.008 15 1 no 0.122 0 0
1 72 VAL QG 39 no 100.0 0.0 0.000 0.001 0.001 14 0 no 0.051 0 0
1 73 TYR QB 41 no 100.0 100.0 10.875 10.875 0.000 14 3 no 0.020 0 0
1 73 TYR QD 30 yes 100.0 100.0 41.101 41.101 0.000 15 2 no 0.020 0 0
1 73 TYR QE 24 yes 100.0 100.0 80.401 80.401 0.000 16 7 no 0.022 0 0
1 74 TYR QB 153 no 100.0 100.0 3.328 3.329 0.001 3 2 no 0.046 0 0
1 74 TYR QD 91 no 100.0 100.0 65.397 65.397 0.000 10 7 no 0.007 0 0
1 74 TYR QE 50 no 100.0 90.1 101.231 112.291 11.061 14 11 no 0.028 0 0
1 76 PRO QB 156 no 100.0 100.0 0.589 0.589 0.000 3 3 no 0.009 0 0
1 76 PRO QD 108 no 100.0 47.6 10.442 21.930 11.488 8 7 no 0.046 0 0
1 76 PRO QG 143 no 100.0 100.0 0.855 0.855 0.000 5 5 no 0.028 0 0
1 77 MET QB 58 no 95.0 99.8 1.535 1.538 0.003 13 9 no 0.156 0 0
1 77 MET QG 151 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.034 0 0
1 83 GLN QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 ASN QB 70 no 100.0 100.0 2.531 2.532 0.001 11 2 no 0.056 0 0
1 84 ASN QD 94 no 100.0 100.0 3.748 3.749 0.000 9 2 no 0.038 0 0
1 85 ASN QD 109 no 100.0 100.0 2.715 2.715 0.000 7 0 no 0.046 0 0
1 86 PHE QB 134 no 100.0 100.0 3.159 3.159 0.001 6 4 no 0.099 0 0
1 86 PHE QD 14 no 100.0 100.0 63.022 63.023 0.001 19 11 no 0.043 0 0
1 86 PHE QE 80 no 100.0 100.0 30.634 30.635 0.001 11 7 no 0.156 0 0
1 87 VAL QG 2 no 100.0 96.9 39.959 41.229 1.270 31 11 no 0.094 0 0
1 88 HIS QB 15 no 100.0 100.0 1.621 1.622 0.000 18 4 no 0.033 0 0
1 90 CYS QB 55 no 100.0 99.9 2.268 2.271 0.002 13 6 no 0.094 0 0
1 91 VAL QG 3 no 100.0 99.9 13.806 13.816 0.009 27 10 no 0.200 0 0
1 92 ASN QB 53 no 100.0 100.0 4.181 4.181 0.000 13 3 no 0.015 0 0
1 92 ASN QD 22 no 100.0 100.0 1.273 1.273 0.000 16 5 no 0.032 0 0
1 93 ILE QG 83 no 100.0 100.0 3.370 3.370 0.000 10 3 no 0.000 0 0
1 95 ILE QG 79 no 100.0 100.0 4.046 4.046 0.000 11 7 no 0.002 0 0
1 96 LYS QB 86 no 100.0 99.9 3.906 3.910 0.004 10 4 no 0.072 0 0
1 96 LYS QD 98 no 100.0 100.0 0.406 0.406 0.000 9 5 no 0.000 0 0
1 96 LYS QE 115 no 100.0 100.0 2.608 2.608 0.000 7 4 no 0.016 0 0
1 96 LYS QG 105 no 100.0 99.6 2.534 2.543 0.010 8 4 no 0.113 0 0
1 97 GLN QB 140 no 100.0 100.0 1.482 1.482 0.000 5 2 no 0.000 0 0
1 97 GLN QE 32 no 100.0 100.0 2.259 2.259 0.000 15 4 no 0.026 0 0
1 97 GLN QG 127 no 100.0 100.0 4.111 4.111 0.000 6 2 no 0.021 0 0
1 98 HIS QB 51 no 100.0 100.0 2.338 2.339 0.001 13 1 no 0.034 0 0
1 100 VAL QG 162 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.063 0 0
1 105 LYS QB 126 no 100.0 100.0 1.020 1.020 0.000 6 2 no 0.000 0 0
1 105 LYS QD 182 no 100.0 100.0 2.895 2.895 0.000 2 1 no 0.002 0 0
1 105 LYS QE 103 no 100.0 100.0 5.120 5.120 0.000 8 2 no 0.013 0 0
1 105 LYS QG 132 no 100.0 100.0 3.070 3.070 0.000 6 3 no 0.002 0 0
1 106 GLY QA 133 no 100.0 100.0 1.224 1.225 0.000 6 4 no 0.028 0 0
1 107 GLU QB 34 no 100.0 100.0 9.415 9.417 0.002 15 6 no 0.051 0 0
1 107 GLU QG 85 no 100.0 100.0 1.686 1.687 0.000 10 4 no 0.051 0 0
1 108 ASN QB 44 no 100.0 100.0 2.407 2.408 0.001 14 6 no 0.041 0 0
1 108 ASN QD 102 no 100.0 100.0 2.795 2.795 0.000 8 2 no 0.013 0 0
1 109 PHE QB 36 no 100.0 100.0 2.771 2.771 0.000 15 8 no 0.033 0 0
1 109 PHE QD 9 yes 100.0 100.0 115.107 115.107 0.000 23 11 no 0.013 0 0
1 109 PHE QE 123 yes 100.0 100.0 22.318 22.318 0.000 6 1 no 0.020 0 0
1 111 GLU QB 93 no 100.0 100.0 1.609 1.609 0.000 9 2 no 0.018 0 0
1 111 GLU QG 28 no 100.0 100.0 3.168 3.168 0.000 16 9 no 0.029 0 0
1 113 ASP QB 17 no 100.0 100.0 2.172 2.172 0.000 18 8 no 0.003 0 0
1 114 VAL QG 8 no 100.0 100.0 31.414 31.423 0.009 23 7 no 0.136 0 0
1 115 LYS QB 97 no 100.0 100.0 5.960 5.960 0.000 9 5 no 0.012 0 0
1 115 LYS QD 181 no 100.0 100.0 0.690 0.690 0.000 2 1 no 0.008 0 0
1 115 LYS QG 75 no 100.0 100.0 0.980 0.980 0.000 11 5 no 0.013 0 0
1 116 MET QB 43 no 100.0 100.0 3.082 3.084 0.001 14 5 no 0.061 0 0
1 116 MET QG 33 no 100.0 100.0 5.550 5.551 0.001 15 5 no 0.044 0 0
1 117 MET QB 111 no 100.0 100.0 3.633 3.633 0.000 7 2 no 0.022 0 0
1 117 MET QG 40 no 100.0 100.0 5.504 5.504 0.000 14 3 no 0.012 0 0
1 118 GLU QB 148 no 100.0 100.0 1.019 1.019 0.000 4 2 no 0.000 0 0
1 118 GLU QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.019 0 0
1 119 ARG QB 26 no 100.0 100.0 1.283 1.283 0.000 16 8 no 0.006 0 0
1 119 ARG QD 16 no 100.0 99.6 0.388 0.389 0.002 18 8 no 0.060 0 0
1 119 ARG QG 31 no 100.0 99.9 2.716 2.717 0.002 15 4 no 0.072 0 0
1 120 VAL QG 1 no 100.0 91.2 51.598 56.562 4.964 33 15 no 0.099 0 0
1 122 GLU QB 161 no 100.0 100.0 0.008 0.008 0.000 2 0 no 0.000 0 0
1 122 GLU QG 71 no 100.0 100.0 6.287 6.287 0.000 11 3 no 0.022 0 0
1 123 GLN QB 66 no 100.0 100.0 7.857 7.857 0.000 12 7 no 0.032 0 0
1 123 GLN QE 48 no 100.0 100.0 1.202 1.203 0.000 14 9 no 0.024 0 0
1 123 GLN QG 104 no 100.0 100.0 2.421 2.421 0.000 8 3 no 0.008 0 0
1 124 MET QB 147 no 100.0 100.0 2.292 2.292 0.000 4 2 no 0.000 0 0
1 124 MET QG 52 no 100.0 100.0 4.697 4.698 0.001 13 3 no 0.054 0 0
1 125 CYS QB 125 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 126 ILE QG 155 no 100.0 100.0 0.600 0.600 0.000 3 3 no 0.000 0 0
1 128 GLN QB 138 no 100.0 100.0 0.947 0.947 0.000 5 0 no 0.004 0 0
1 128 GLN QE 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.028 0 0
1 129 TYR QB 23 no 100.0 100.0 4.329 4.329 0.000 16 7 no 0.015 0 0
1 129 TYR QD 11 yes 100.0 100.0 46.988 46.989 0.000 20 10 no 0.036 0 0
1 129 TYR QE 13 yes 100.0 100.0 43.396 43.396 0.000 19 11 no 0.014 0 0
1 130 LYS QB 141 no 100.0 99.7 0.260 0.261 0.001 5 3 no 0.038 0 0
1 130 LYS QD 68 no 100.0 100.0 4.450 4.450 0.000 12 8 no 0.015 0 0
1 130 LYS QE 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 130 LYS QG 84 no 100.0 100.0 3.442 3.442 0.000 10 4 no 0.003 0 0
1 132 GLU QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 GLU QG 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.015 0 0
1 133 SER QB 37 no 100.0 22.2 2.215 9.956 7.742 15 9 no 0.060 0 0
1 134 GLN QB 90 no 100.0 100.0 2.198 2.198 0.000 10 6 no 0.007 0 0
1 134 GLN QE 150 no 100.0 100.0 2.305 2.305 0.000 4 3 no 0.026 0 0
1 134 GLN QG 95 no 100.0 100.0 0.189 0.189 0.000 9 3 no 0.016 0 0
1 136 TYR QB 82 no 100.0 85.0 4.630 5.448 0.818 10 3 no 0.032 0 0
1 136 TYR QD 59 yes 100.0 100.0 27.718 27.718 0.000 12 3 no 0.011 0 0
1 136 TYR QE 96 yes 100.0 100.0 47.742 47.742 0.001 9 5 no 0.032 0 0
1 137 TYR QB 25 no 100.0 89.7 14.538 16.213 1.675 16 8 no 0.006 0 0
1 137 TYR QD 74 no 100.0 86.0 55.367 64.349 8.982 11 5 no 0.020 0 0
1 138 GLN QB 73 no 100.0 100.0 5.435 5.435 0.000 11 4 no 0.014 0 0
1 138 GLN QE 113 no 100.0 100.0 5.504 5.504 0.000 7 3 no 0.010 0 0
1 138 GLN QG 89 no 100.0 100.0 5.445 5.445 0.000 10 5 no 0.000 0 0
1 139 ARG QB 117 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.059 0 0
1 139 ARG QD 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
stop_
save_
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