NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
641230 |
6fnv   |
34236 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6fnv
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 192
_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 0.141
_Stereo_assign_list.Total_e_high_states 1460.953
_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 GLY QA 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 HIS QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 SER QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 ASN QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 LYS QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 PRO QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.054 0 0
1 12 PRO QD 182 no 100.0 0.0 0.000 0.039 0.039 2 0 no 0.199 0 0
1 12 PRO QG 181 no 5.0 90.0 0.130 0.145 0.014 2 0 no 0.259 0 0
1 13 SER QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 14 LYS QD 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 PRO QB 179 no 100.0 100.0 0.128 0.128 0.000 2 0 no 0.000 0 0
1 15 PRO QD 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 PRO QG 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 LYS QD 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 ASN QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 LYS QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 LYS QG 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 22 VAL QG 149 no 100.0 98.6 0.104 0.105 0.001 4 0 no 0.172 0 0
1 24 GLY QA 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 29 GLY QA 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 VAL QG 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.056 0 0
1 32 VAL QG 26 no 100.0 100.0 19.183 19.186 0.003 18 10 no 0.117 0 0
1 33 GLY QA 189 no 100.0 100.0 0.067 0.067 0.000 2 1 no 0.000 0 0
1 34 GLY QA 112 no 100.0 100.0 0.124 0.124 0.000 7 4 no 0.000 0 0
1 35 LEU QB 21 no 100.0 100.0 3.421 3.421 0.000 20 13 no 0.047 0 0
1 35 LEU QD 7 no 100.0 100.0 4.836 4.836 0.000 29 16 no 0.013 0 0
1 36 GLY QA 39 no 100.0 100.0 5.054 5.056 0.002 14 6 no 0.100 0 0
1 38 TYR QB 38 no 100.0 100.0 1.496 1.497 0.001 14 6 no 0.057 0 0
1 38 TYR QD 5 no 100.0 100.0 88.334 88.336 0.002 31 16 no 0.105 0 0
1 38 TYR QE 20 no 100.0 100.0 75.014 75.016 0.002 20 8 no 0.060 0 0
1 39 MET QB 62 no 100.0 100.0 1.384 1.384 0.000 11 4 no 0.004 0 0
1 39 MET QG 137 no 100.0 100.0 2.022 2.023 0.000 5 1 no 0.037 0 0
1 40 LEU QB 77 no 100.0 100.0 0.354 0.354 0.000 10 7 no 0.000 0 0
1 40 LEU QD 6 no 100.0 100.0 10.163 10.165 0.002 30 19 no 0.064 0 0
1 41 GLY QA 57 no 100.0 100.0 0.425 0.425 0.000 12 9 no 0.000 0 0
1 42 SER QB 121 no 20.0 99.7 0.000 0.000 0.000 6 1 no 0.002 0 0
1 44 MET QB 147 no 100.0 100.0 0.377 0.377 0.000 4 0 no 0.000 0 0
1 44 MET QG 66 no 100.0 100.0 2.664 2.664 0.000 10 0 no 0.000 0 0
1 46 ARG QD 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 ARG QG 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 PRO QB 140 no 100.0 99.9 3.073 3.076 0.003 5 2 no 0.114 0 0
1 47 PRO QD 139 no 100.0 99.9 0.304 0.305 0.000 5 2 no 0.071 0 0
1 47 PRO QG 114 no 100.0 100.0 2.286 2.286 0.000 7 5 no 0.000 0 0
1 48 LEU QB 155 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 48 LEU QD 78 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.032 0 0
1 49 ILE QG 13 no 100.0 100.0 3.108 3.108 0.000 23 14 no 0.000 0 0
1 50 HIS QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 51 PHE QB 53 no 100.0 100.0 0.088 0.088 0.000 12 5 no 0.000 0 0
1 51 PHE QD 27 no 100.0 100.0 19.977 19.978 0.001 17 3 no 0.063 0 0
1 51 PHE QE 9 no 100.0 100.0 72.804 72.807 0.002 27 13 no 0.074 0 0
1 52 GLY QA 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 ASP QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 55 TYR QB 109 no 100.0 100.0 0.512 0.512 0.000 7 2 no 0.000 0 0
1 55 TYR QD 61 no 100.0 100.0 35.677 35.677 0.000 11 4 no 0.016 0 0
1 55 TYR QE 145 no 100.0 100.0 10.863 10.863 0.000 4 0 no 0.053 0 0
1 56 GLU QB 75 no 100.0 100.0 0.478 0.478 0.000 10 5 no 0.004 0 0
1 56 GLU QG 192 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.016 0 0
1 58 ARG QB 90 no 95.0 100.0 0.003 0.003 0.000 8 0 no 0.182 0 0
1 58 ARG QD 135 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.017 0 0
1 58 ARG QG 94 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.012 0 0
1 59 TYR QB 69 no 35.0 100.0 0.015 0.015 0.000 10 2 no 0.000 0 0
1 59 TYR QD 16 no 100.0 100.0 74.546 74.546 0.000 20 4 no 0.025 0 0
1 60 TYR QB 63 no 100.0 100.0 0.630 0.630 0.000 11 5 no 0.004 0 0
1 60 TYR QD 19 no 100.0 100.0 80.510 80.510 0.000 20 8 no 0.018 0 0
1 60 TYR QE 8 no 100.0 100.0 58.407 58.407 0.000 27 10 no 0.022 0 0
1 61 ARG QB 108 no 100.0 100.0 0.118 0.118 0.000 7 2 no 0.009 0 0
1 61 ARG QD 100 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.032 0 0
1 61 ARG QG 83 no 100.0 100.0 0.336 0.336 0.000 9 2 no 0.018 0 0
1 62 GLU QB 129 no 100.0 100.0 1.085 1.085 0.000 6 2 no 0.000 0 0
1 62 GLU QG 51 no 100.0 100.0 0.826 0.826 0.000 12 4 no 0.028 0 0
1 63 ASN QB 128 no 75.0 100.0 0.008 0.008 0.000 6 2 no 0.000 0 0
1 63 ASN QD 93 no 100.0 100.0 0.794 0.794 0.000 8 2 no 0.021 0 0
1 64 MET QB 37 no 100.0 100.0 3.180 3.181 0.000 14 6 no 0.031 0 0
1 64 MET QG 43 no 100.0 100.0 1.991 1.991 0.000 13 5 no 0.012 0 0
1 65 TYR QD 142 no 100.0 100.0 7.222 7.222 0.000 5 3 no 0.031 0 0
1 65 TYR QE 141 no 100.0 100.0 11.895 11.895 0.000 5 3 no 0.000 0 0
1 66 ARG QB 46 no 90.0 100.0 0.009 0.009 0.000 13 7 no 0.000 0 0
1 66 ARG QD 127 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.005 0 0
1 66 ARG QG 151 no 25.0 100.0 0.020 0.020 0.000 4 1 no 0.000 0 0
1 67 TYR QB 96 no 100.0 100.0 0.828 0.828 0.000 8 3 no 0.000 0 0
1 67 TYR QD 11 no 100.0 100.0 82.876 82.876 0.000 25 14 no 0.035 0 0
1 67 TYR QE 12 no 100.0 100.0 51.234 51.234 0.000 23 12 no 0.003 0 0
1 68 PRO QB 86 no 100.0 100.0 2.212 2.212 0.000 9 3 no 0.000 0 0
1 68 PRO QD 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 PRO QG 138 no 15.0 8.4 0.000 0.000 0.000 5 2 no 0.035 0 0
1 69 ASN QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 69 ASN QD 156 no 85.0 99.6 0.678 0.680 0.002 3 0 no 0.120 0 0
1 70 GLN QB 41 no 100.0 99.8 1.222 1.224 0.002 13 4 no 0.064 0 0
1 70 GLN QE 55 no 85.0 100.0 0.048 0.048 0.000 12 7 no 0.000 0 0
1 70 GLN QG 25 no 100.0 99.0 0.389 0.393 0.004 18 6 no 0.105 0 0
1 71 VAL QG 3 no 100.0 100.0 13.536 13.541 0.005 32 11 no 0.105 0 0
1 72 TYR QB 74 no 100.0 100.0 0.807 0.807 0.000 10 5 no 0.001 0 0
1 72 TYR QD 30 no 100.0 100.0 30.676 30.676 0.000 16 5 no 0.016 0 0
1 72 TYR QE 52 no 100.0 100.0 41.847 41.847 0.000 12 5 no 0.005 0 0
1 73 TYR QB 120 no 100.0 100.0 0.589 0.589 0.000 6 1 no 0.000 0 0
1 73 TYR QD 18 no 100.0 100.0 58.252 58.253 0.000 20 8 no 0.035 0 0
1 73 TYR QE 65 no 100.0 100.0 27.888 27.888 0.000 11 6 no 0.004 0 0
1 74 ARG QD 134 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.036 0 0
1 75 PRO QB 165 no 100.0 100.0 0.598 0.598 0.000 2 0 no 0.000 0 0
1 75 PRO QD 45 no 100.0 100.0 0.783 0.783 0.000 13 6 no 0.036 0 0
1 75 PRO QG 157 no 100.0 100.0 1.106 1.106 0.000 3 1 no 0.001 0 0
1 76 VAL QG 31 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.000 0 0
1 77 ASP QB 126 no 95.0 99.9 0.326 0.327 0.000 6 2 no 0.060 0 0
1 78 GLN QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 79 TYR QB 48 no 100.0 100.0 2.952 2.952 0.000 12 3 no 0.001 0 0
1 79 TYR QD 22 no 100.0 100.0 67.963 67.963 0.000 19 7 no 0.062 0 0
1 79 TYR QE 15 no 100.0 100.0 77.150 77.150 0.000 21 8 no 0.047 0 0
1 80 ASN QD 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 ASN QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 GLN QB 113 no 100.0 100.0 0.006 0.006 0.000 7 5 no 0.218 0 0
1 82 GLN QE 34 no 100.0 99.8 2.703 2.709 0.006 15 9 no 0.218 0 0
1 82 GLN QG 154 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 83 ASN QB 125 no 100.0 100.0 2.843 2.843 0.000 6 2 no 0.019 0 0
1 83 ASN QD 82 no 100.0 99.9 0.469 0.469 0.001 9 2 no 0.034 0 0
1 85 PHE QB 153 no 100.0 100.0 2.019 2.019 0.000 4 2 no 0.016 0 0
1 85 PHE QD 32 no 100.0 100.0 53.955 53.956 0.001 16 9 no 0.035 0 0
1 85 PHE QE 133 no 100.0 100.0 9.049 9.049 0.000 6 4 no 0.000 0 0
1 86 VAL QG 2 no 100.0 100.0 19.019 19.020 0.001 34 10 no 0.085 0 0
1 87 HIS QB 81 no 100.0 100.0 8.114 8.114 0.000 9 2 no 0.019 0 0
1 88 ASP QB 191 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 90 VAL QG 59 no 100.0 100.0 5.435 5.435 0.000 11 2 no 0.008 0 0
1 91 ASN QB 44 no 100.0 100.0 0.011 0.011 0.000 13 6 no 0.000 0 0
1 91 ASN QD 88 no 100.0 98.9 0.832 0.841 0.009 9 6 no 0.134 0 0
1 92 ILE QG 95 no 100.0 100.0 4.479 4.479 0.000 8 3 no 0.000 0 0
1 94 VAL QG 28 no 100.0 99.9 12.117 12.127 0.009 17 4 no 0.134 0 0
1 95 LYS QB 58 no 100.0 100.0 0.012 0.012 0.000 11 0 no 0.000 0 0
1 95 LYS QG 68 no 100.0 100.0 0.445 0.445 0.000 10 2 no 0.009 0 0
1 96 GLN QB 111 no 25.0 100.0 0.006 0.006 0.000 7 4 no 0.000 0 0
1 96 GLN QE 76 no 100.0 100.0 2.169 2.169 0.000 10 6 no 0.055 0 0
1 97 HIS QB 105 no 75.0 97.7 0.241 0.247 0.006 7 0 no 0.154 0 0
1 104 LYS QB 71 no 100.0 99.9 0.999 1.000 0.001 10 3 no 0.063 0 0
1 104 LYS QD 124 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.047 0 0
1 104 LYS QE 123 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.030 0 0
1 104 LYS QG 50 no 100.0 100.0 2.414 2.414 0.000 12 4 no 0.000 0 0
1 106 GLU QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 107 ASN QB 110 no 100.0 100.0 0.110 0.110 0.000 7 4 no 0.014 0 0
1 107 ASN QD 103 no 95.0 99.9 0.433 0.433 0.000 8 5 no 0.063 0 0
1 108 PHE QB 36 no 100.0 99.9 1.668 1.670 0.002 14 5 no 0.058 0 0
1 108 PHE QD 10 no 100.0 100.0 33.527 33.528 0.001 25 12 no 0.038 0 0
1 108 PHE QE 190 no 100.0 100.0 8.106 8.106 0.000 2 2 no 0.000 0 0
1 110 GLU QB 119 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 110 GLU QG 80 no 100.0 100.0 0.934 0.934 0.000 9 1 no 0.000 0 0
1 112 ASP QB 17 no 100.0 99.9 1.733 1.734 0.001 20 6 no 0.042 0 0
1 113 ILE QG 35 no 100.0 100.0 0.506 0.506 0.000 14 4 no 0.020 0 0
1 114 LYS QB 104 no 100.0 100.0 2.412 2.412 0.000 7 0 no 0.007 0 0
1 114 LYS QD 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 114 LYS QG 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 MET QB 99 no 55.0 100.0 0.005 0.005 0.000 8 4 no 0.000 0 0
1 115 MET QG 14 no 100.0 100.0 0.936 0.936 0.000 22 6 no 0.036 0 0
1 116 MET QB 87 no 100.0 0.0 0.000 0.000 0.000 9 5 no 0.000 0 0
1 116 MET QG 70 no 100.0 100.0 1.866 1.866 0.000 10 3 no 0.020 0 0
1 117 GLU QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 117 GLU QG 79 no 95.0 100.0 0.199 0.199 0.000 9 0 no 0.017 0 0
1 118 ARG QB 33 no 30.0 100.0 0.334 0.334 0.000 15 5 no 0.000 0 0
1 118 ARG QD 98 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.082 0 0
1 118 ARG QG 73 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 119 VAL QG 1 no 100.0 100.0 17.423 17.428 0.006 43 22 no 0.147 0 0
1 120 VAL QG 4 no 100.0 100.0 21.607 21.607 0.000 31 7 no 0.022 0 0
1 122 GLN QB 152 no 100.0 100.0 0.461 0.461 0.000 4 2 no 0.021 0 0
1 122 GLN QE 132 no 95.0 99.9 0.057 0.057 0.000 6 4 no 0.021 0 0
1 122 GLN QG 85 no 85.0 100.0 0.197 0.197 0.000 9 3 no 0.000 0 0
1 123 MET QB 118 no 100.0 100.0 0.083 0.083 0.000 6 1 no 0.000 0 0
1 123 MET QG 89 no 35.0 100.0 0.002 0.002 0.000 8 0 no 0.000 0 0
1 124 CYS QB 84 no 30.0 100.0 0.001 0.001 0.000 9 3 no 0.000 0 0
1 125 ILE QG 102 no 100.0 100.0 1.296 1.296 0.000 8 5 no 0.000 0 0
1 127 GLN QB 97 no 100.0 100.0 1.036 1.036 0.000 8 4 no 0.032 0 0
1 127 GLN QE 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 127 GLN QG 64 no 100.0 99.8 0.451 0.452 0.001 11 6 no 0.065 0 0
1 128 TYR QB 49 no 30.0 100.0 0.003 0.003 0.000 12 4 no 0.000 0 0
1 128 TYR QD 29 no 100.0 100.0 22.243 22.243 0.000 16 5 no 0.041 0 0
1 128 TYR QE 23 no 100.0 100.0 33.398 33.399 0.001 19 12 no 0.085 0 0
1 129 GLN QB 91 no 100.0 100.0 1.219 1.219 0.000 8 1 no 0.010 0 0
1 129 GLN QG 72 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.019 0 0
1 130 ARG QD 92 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.047 0 0
1 130 ARG QG 67 no 90.0 100.0 0.263 0.263 0.000 10 2 no 0.003 0 0
1 131 GLU QB 117 no 25.0 100.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 131 GLU QG 60 no 100.0 100.0 0.707 0.707 0.000 11 3 no 0.034 0 0
1 132 SER QB 56 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.007 0 0
1 133 GLN QB 42 no 100.0 100.0 0.051 0.051 0.000 13 5 no 0.013 0 0
1 133 GLN QE 115 no 100.0 100.0 0.620 0.620 0.000 7 6 no 0.010 0 0
1 133 GLN QG 101 no 15.0 100.0 0.000 0.000 0.000 8 5 no 0.000 0 0
1 135 TYR QB 40 no 100.0 100.0 1.910 1.910 0.000 13 3 no 0.013 0 0
1 135 TYR QD 24 no 100.0 100.0 38.978 38.978 0.000 18 6 no 0.025 0 0
1 135 TYR QE 130 no 100.0 100.0 12.471 12.471 0.000 6 3 no 0.006 0 0
1 136 TYR QB 47 no 100.0 100.0 1.323 1.323 0.000 12 3 no 0.000 0 0
1 136 TYR QD 54 no 100.0 100.0 37.542 37.542 0.000 12 6 no 0.023 0 0
1 136 TYR QE 136 no 100.0 100.0 14.493 14.493 0.000 5 1 no 0.014 0 0
1 137 GLN QB 122 no 100.0 100.0 0.038 0.038 0.000 6 2 no 0.000 0 0
1 137 GLN QE 107 no 100.0 100.0 2.402 2.402 0.000 7 1 no 0.082 0 0
1 137 GLN QG 106 no 60.0 100.0 0.421 0.421 0.000 7 1 no 0.047 0 0
1 138 ARG QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 138 ARG QD 131 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.044 0 0
stop_
save_
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