NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
453382 |
2yrq   |
11147 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2yrq
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 190
_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 0.108
_Stereo_assign_list.Total_e_high_states 174.599
_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 8 MET QG 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 ASP QB 135 no 0.0 0.0 0.000 0.006 0.006 6 4 no 0.235 0 0
1 13 PRO QD 107 no 100.0 0.0 0.000 0.006 0.006 8 4 no 0.235 0 0
1 14 LYS QG 132 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.007 0 0
1 15 LYS QB 173 no 100.0 0.0 0.000 0.006 0.006 4 2 no 0.212 0 0
1 15 LYS QG 70 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.120 0 0
1 16 PRO QB 189 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.142 0 0
1 16 PRO QD 7 no 100.0 99.7 0.665 0.667 0.002 24 6 no 0.120 0 0
1 16 PRO QG 131 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 17 ARG QD 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 ARG QG 130 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.207 0 0
1 18 GLY QA 171 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.096 0 0
1 19 LYS QD 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.086 0 0
1 19 LYS QE 106 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.065 0 0
1 19 LYS QG 33 no 100.0 0.0 0.000 0.001 0.001 16 8 no 0.087 0 0
1 20 MET QB 37 no 100.0 100.0 1.924 1.924 0.000 14 0 no 0.048 0 0
1 20 MET QG 46 no 100.0 100.0 0.754 0.754 0.000 12 0 no 0.020 0 0
1 21 SER QB 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 SER QB 94 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.008 0 0
1 25 PHE QB 93 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 26 PHE QB 14 no 100.0 100.0 0.985 0.985 0.000 20 2 no 0.005 0 0
1 27 VAL QG 4 no 100.0 100.0 14.269 14.269 0.000 27 4 no 0.015 0 0
1 28 GLN QB 41 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.119 0 0
1 28 GLN QE 69 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.001 0 0
1 30 CYS QB 92 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.031 0 0
1 31 ARG QB 25 no 100.0 100.0 2.269 2.270 0.001 16 2 no 0.062 0 0
1 31 ARG QG 23 no 100.0 100.0 2.076 2.076 0.000 16 0 no 0.013 0 0
1 32 GLU QB 168 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.118 0 0
1 32 GLU QG 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 33 GLU QB 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.014 0 0
1 33 GLU QG 91 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.043 0 0
1 34 HIS QB 17 no 100.0 99.8 0.365 0.366 0.001 19 0 no 0.059 0 0
1 36 LYS QD 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.006 0 0
1 36 LYS QG 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.048 0 0
1 37 LYS QB 63 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.002 0 0
1 37 LYS QG 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
1 38 HIS QB 29 no 100.0 99.9 2.017 2.019 0.002 16 4 no 0.062 0 0
1 39 PRO QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 PRO QD 44 no 100.0 99.8 0.985 0.986 0.002 13 4 no 0.062 0 0
1 39 PRO QG 127 no 100.0 100.0 2.467 2.467 0.000 6 0 no 0.001 0 0
1 40 ASP QB 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.067 0 0
1 43 VAL QG 22 no 100.0 100.0 4.188 4.188 0.000 17 2 no 0.000 0 0
1 44 ASN QB 11 no 100.0 99.8 2.401 2.406 0.005 22 8 no 0.221 0 0
1 44 ASN QD 43 no 100.0 0.0 0.000 0.000 0.000 14 10 no 0.029 0 0
1 45 PHE QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 47 GLU QB 71 no 100.0 0.0 0.000 0.001 0.001 10 6 no 0.089 0 0
1 47 GLU QG 51 no 100.0 0.0 0.000 0.005 0.005 12 8 no 0.221 0 0
1 48 PHE QB 96 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.002 0 0
1 49 SER QB 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.051 0 0
1 50 LYS QG 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 CYS QB 48 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.045 0 0
1 53 SER QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 54 GLU QG 162 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.137 0 0
1 55 ARG QB 90 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.001 0 0
1 55 ARG QD 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.025 0 0
1 55 ARG QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 56 TRP QB 16 no 100.0 100.0 1.399 1.400 0.000 19 0 no 0.047 0 0
1 57 LYS QG 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 59 MET QB 6 no 100.0 100.0 3.300 3.300 0.000 26 12 no 0.005 0 0
1 60 SER QB 125 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.003 0 0
1 62 LYS QB 158 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.158 0 0
1 63 GLU QB 19 no 100.0 100.0 1.425 1.425 0.000 18 4 no 0.010 0 0
1 64 LYS QB 50 no 100.0 100.0 0.459 0.459 0.000 12 5 no 0.007 0 0
1 64 LYS QD 24 no 100.0 100.0 1.440 1.440 0.000 16 2 no 0.002 0 0
1 64 LYS QE 12 no 100.0 100.0 0.877 0.877 0.000 21 5 no 0.004 0 0
1 64 LYS QG 42 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.000 0 0
1 65 GLY QA 72 no 100.0 100.0 3.002 3.002 0.000 10 7 no 0.021 0 0
1 66 LYS QB 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 66 LYS QG 34 no 100.0 100.0 0.419 0.419 0.000 15 0 no 0.008 0 0
1 67 PHE QB 65 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.004 0 0
1 68 GLU QB 55 no 100.0 100.0 4.113 4.114 0.001 11 4 no 0.146 0 0
1 68 GLU QG 13 no 100.0 99.9 1.058 1.059 0.001 21 9 no 0.146 0 0
1 69 ASP QB 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 70 MET QB 89 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.001 0 0
1 70 MET QG 122 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 72 LYS QG 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 77 ARG QB 88 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.048 0 0
1 77 ARG QD 87 no 0.0 0.0 0.000 0.000 0.000 8 0 no 0.039 0 0
1 77 ARG QG 52 no 100.0 100.0 0.730 0.730 0.000 11 0 no 0.021 0 0
1 78 TYR QB 68 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.082 0 0
1 79 GLU QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.022 0 0
1 79 GLU QG 86 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.027 0 0
1 80 ARG QG 120 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.179 0 0
1 81 GLU QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 81 GLU QG 155 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.033 0 0
1 82 MET QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 TYR QB 119 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.132 0 0
1 86 ILE QG 85 no 100.0 100.0 1.244 1.244 0.000 8 0 no 0.000 0 0
1 87 PRO QB 134 no 100.0 0.0 0.000 0.002 0.002 6 4 no 0.113 0 0
1 87 PRO QD 118 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.122 0 0
1 88 PRO QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 PRO QD 105 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 89 LYS QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.030 0 0
1 91 GLU QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 91 GLU QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 LYS QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 PHE QB 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.019 0 0
1 97 LYS QG 117 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.186 0 0
1 98 ASP QB 104 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.027 0 0
1 99 PRO QD 67 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.027 0 0
1 99 PRO QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 100 ASN QB 103 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.124 0 0
1 100 ASN QD 102 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.040 0 0
1 102 PRO QB 28 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.049 0 0
1 102 PRO QD 62 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.016 0 0
1 102 PRO QG 15 no 100.0 0.0 0.000 0.001 0.001 20 6 no 0.086 0 0
1 103 LYS QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.032 0 0
1 103 LYS QG 152 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.126 0 0
1 104 ARG QG 151 no 0.0 0.0 0.000 0.009 0.009 4 0 no 0.246 0 0
1 105 PRO QB 108 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.015 0 0
1 105 PRO QD 40 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 105 PRO QG 101 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.052 0 0
1 106 PRO QD 75 no 100.0 100.0 0.397 0.397 0.000 9 6 no 0.015 0 0
1 107 SER QB 84 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 110 PHE QB 61 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 111 LEU QB 27 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.007 0 0
1 111 LEU QD 3 no 100.0 100.0 22.638 22.638 0.000 28 4 no 0.000 0 0
1 112 PHE QB 60 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.007 0 0
1 113 CYS QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 114 SER QB 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 115 GLU QB 45 no 100.0 100.0 0.313 0.313 0.000 12 0 no 0.025 0 0
1 115 GLU QG 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 116 TYR QB 39 no 100.0 100.0 0.546 0.546 0.000 14 2 no 0.008 0 0
1 117 ARG QB 133 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 117 ARG QD 100 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.006 0 0
1 117 ARG QG 99 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.012 0 0
1 118 PRO QD 47 no 100.0 100.0 0.475 0.475 0.000 12 2 no 0.000 0 0
1 119 LYS QD 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 LYS QG 83 no 100.0 0.0 0.000 0.004 0.004 8 0 no 0.162 0 0
1 120 ILE QG 35 no 100.0 100.0 1.940 1.940 0.000 15 3 no 0.008 0 0
1 121 LYS QB 115 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
1 121 LYS QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 123 GLU QB 82 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.015 0 0
1 123 GLU QG 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.007 0 0
1 124 HIS QB 18 no 100.0 99.9 1.058 1.059 0.001 19 12 no 0.051 0 0
1 125 PRO QD 66 no 100.0 99.9 1.119 1.120 0.001 10 4 no 0.051 0 0
1 127 LEU QB 10 no 100.0 100.0 2.411 2.411 0.000 23 14 no 0.000 0 0
1 127 LEU QD 5 no 100.0 100.0 14.444 14.444 0.000 27 10 no 0.020 0 0
1 128 SER QB 81 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 129 ILE QG 80 no 100.0 100.0 0.597 0.597 0.000 8 0 no 0.002 0 0
1 131 ASP QB 20 no 100.0 100.0 1.740 1.740 0.000 18 7 no 0.002 0 0
1 132 VAL QG 1 no 100.0 100.0 38.348 38.349 0.000 37 15 no 0.040 0 0
1 136 LEU QB 54 no 100.0 100.0 0.867 0.867 0.000 11 4 no 0.000 0 0
1 136 LEU QD 2 no 100.0 100.0 10.796 10.796 0.000 35 11 no 0.021 0 0
1 137 GLY QA 53 no 100.0 100.0 0.787 0.787 0.000 11 1 no 0.026 0 0
1 138 GLU QB 97 no 100.0 100.0 0.952 0.952 0.000 8 3 no 0.026 0 0
1 138 GLU QG 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.032 0 0
1 139 MET QG 59 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.021 0 0
1 141 ASN QB 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.030 0 0
1 141 ASN QD 73 no 100.0 100.0 1.173 1.173 0.000 9 0 no 0.000 0 0
1 142 ASN QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.016 0 0
1 142 ASN QD 95 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.020 0 0
1 146 ASP QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 147 ASP QB 58 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.002 0 0
1 148 LYS QB 36 no 100.0 100.0 1.421 1.421 0.000 14 0 no 0.043 0 0
1 148 LYS QD 79 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 148 LYS QE 64 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.007 0 0
1 148 LYS QG 9 no 100.0 100.0 0.712 0.712 0.000 23 3 no 0.000 0 0
1 149 GLN QB 26 no 100.0 99.1 0.549 0.554 0.005 16 4 no 0.081 0 0
1 149 GLN QG 98 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.026 0 0
1 150 PRO QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.021 0 0
1 150 PRO QD 21 no 100.0 99.8 0.429 0.430 0.001 18 8 no 0.042 0 0
1 150 PRO QG 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 151 TYR QB 8 no 100.0 100.0 1.179 1.179 0.000 23 1 no 0.000 0 0
1 152 GLU QB 109 no 100.0 100.0 1.365 1.365 0.000 7 0 no 0.054 0 0
1 152 GLU QG 78 no 0.0 0.0 0.000 0.000 0.000 8 0 no 0.020 0 0
1 153 LYS QB 145 no 100.0 100.0 0.781 0.781 0.000 4 0 no 0.000 0 0
1 153 LYS QG 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 154 LYS QB 57 no 100.0 100.0 2.306 2.307 0.001 10 0 no 0.078 0 0
1 154 LYS QG 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 157 LYS QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 157 LYS QG 143 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.200 0 0
1 158 LEU QB 49 no 100.0 100.0 0.695 0.695 0.000 12 5 no 0.000 0 0
1 158 LEU QD 30 no 100.0 100.0 7.148 7.148 0.000 16 5 no 0.005 0 0
1 159 LYS QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 160 GLU QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 160 GLU QG 77 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.029 0 0
1 161 LYS QD 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 162 TYR QB 32 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.019 0 0
1 163 GLU QB 76 no 100.0 100.0 1.307 1.307 0.000 8 0 no 0.000 0 0
1 163 GLU QG 56 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.002 0 0
1 164 LYS QB 139 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 164 LYS QG 110 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.045 0 0
1 165 ASP QB 31 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.026 0 0
1 169 TYR QB 38 no 100.0 99.9 0.558 0.559 0.001 14 2 no 0.086 0 0
1 170 ARG QB 74 no 100.0 99.9 0.612 0.613 0.001 9 2 no 0.110 0 0
1 170 ARG QD 172 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 170 ARG QG 138 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.220 0 0
1 172 LYS QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 172 LYS QG 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
stop_
save_
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