NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631976 |
6crl   |
27313 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6crl
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 189
_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 21
_Stereo_assign_list.Total_e_low_states 1.681
_Stereo_assign_list.Total_e_high_states 354.605
_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 7 TYR QB 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 9 GLU QB 81 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.028 0 0
1 9 GLU QG 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 10 VAL QG 9 no 100.0 99.9 28.250 28.271 0.021 28 4 no 0.286 0 0
1 11 MET QB 56 no 100.0 0.0 0.000 0.017 0.017 8 0 no 0.373 0 0
1 11 MET QG 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 ASN QB 55 no 100.0 0.0 0.000 0.009 0.009 8 0 no 0.222 0 0
1 13 ARG QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 13 ARG QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 LYS QB 29 no 100.0 99.7 2.917 2.925 0.008 12 1 no 0.129 0 0
1 14 LYS QE 188 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.020 0 0
1 15 VAL QG 13 no 100.0 100.0 16.330 16.335 0.006 24 2 no 0.169 0 0
1 18 LEU QB 27 no 100.0 99.1 1.278 1.289 0.011 13 6 no 0.157 0 0
1 18 LEU QD 11 no 100.0 100.0 6.763 6.766 0.003 25 5 no 0.148 0 0
1 19 ASP QB 125 no 100.0 0.0 0.000 0.030 0.030 4 0 no 0.292 0 0
1 20 SER QB 124 no 100.0 0.0 0.000 0.012 0.012 4 0 no 0.270 0 0
1 21 VAL QG 2 no 100.0 99.8 22.632 22.681 0.049 36 10 no 0.260 0 0
1 22 PRO QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 PRO QD 88 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.029 0 0
1 23 PRO QD 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 PRO QG 181 no 100.0 100.0 0.972 0.972 0.000 2 0 no 0.048 0 0
1 25 GLU QB 132 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 25 GLU QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 TYR QB 57 no 100.0 97.7 0.454 0.465 0.011 8 1 no 0.152 0 0
1 29 LEU QB 25 no 100.0 99.6 1.548 1.555 0.007 13 4 no 0.137 0 0
1 29 LEU QD 1 no 100.0 99.1 23.722 23.927 0.204 39 9 no 0.546 0 3
1 32 ASP QB 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 33 PHE QB 33 no 100.0 100.0 0.623 0.623 0.000 11 0 no 0.000 0 0
1 35 ARG QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 ARG QG 122 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.238 0 0
1 36 ILE QG 36 no 100.0 99.9 6.142 6.147 0.005 11 2 no 0.131 0 0
1 39 VAL QG 42 no 100.0 100.0 5.526 5.528 0.001 10 0 no 0.130 0 0
1 40 GLU QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 SER QB 80 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.240 0 0
1 43 ASP QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.076 0 0
1 44 TRP QB 63 no 100.0 100.0 1.113 1.113 0.000 7 0 no 0.068 0 0
1 45 MET QB 24 no 100.0 97.1 0.795 0.819 0.024 13 0 no 0.267 0 0
1 48 TYR QB 79 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 49 TYR QB 121 no 100.0 99.7 3.254 3.263 0.009 4 0 no 0.164 0 0
1 52 TYR QB 78 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 53 CYS QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 ARG QD 131 no 100.0 0.0 0.000 0.008 0.008 4 2 no 0.241 0 0
1 55 ILE QG 92 no 100.0 100.0 1.994 1.994 0.000 5 0 no 0.000 0 0
1 56 ILE QG 32 no 100.0 100.0 0.617 0.617 0.000 11 0 no 0.035 0 0
1 57 PRO QB 91 no 100.0 100.0 1.260 1.260 0.000 5 0 no 0.012 0 0
1 57 PRO QD 54 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 57 PRO QG 58 no 100.0 99.2 1.643 1.655 0.012 8 2 no 0.140 0 0
1 59 PHE QB 90 no 100.0 100.0 1.632 1.632 0.000 5 0 no 0.027 0 0
1 61 ASN QB 50 no 100.0 97.7 0.539 0.552 0.013 9 1 no 0.171 0 0
1 61 ASN QD 16 no 100.0 98.7 2.476 2.509 0.033 21 7 no 0.333 0 0
1 62 PRO QB 87 no 100.0 98.8 1.292 1.307 0.016 6 2 no 0.334 0 0
1 62 PRO QD 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 GLU QG 46 no 100.0 0.0 0.000 0.007 0.007 10 4 no 0.333 0 0
1 67 ARG QG 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 68 LEU QD 5 no 100.0 99.5 10.568 10.617 0.049 33 6 no 0.212 0 0
1 69 CYS QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 GLU QB 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 GLU QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 GLU QB 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 GLU QG 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 GLU QB 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 75 MET QG 116 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.202 0 0
1 76 LEU QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 LEU QD 10 no 100.0 99.9 4.523 4.528 0.005 25 3 no 0.136 0 0
1 78 LYS QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 78 LYS QG 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 80 GLU QB 114 no 100.0 0.0 0.000 0.015 0.015 4 0 no 0.298 0 0
1 82 LEU QD 21 no 100.0 99.5 8.957 9.002 0.045 14 0 no 0.327 0 0
1 84 GLY QA 49 no 100.0 99.4 2.105 2.117 0.012 9 0 no 0.176 0 0
1 85 ASP QB 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 86 LEU QB 86 no 0.0 0.0 0.000 0.011 0.011 6 2 no 0.205 0 0
1 86 LEU QD 35 no 61.9 88.1 0.163 0.185 0.022 11 2 no 0.432 0 0
1 87 SER QB 77 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 88 GLU QB 76 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 91 CYS QB 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 LEU QB 85 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 92 LEU QD 6 no 100.0 99.9 18.325 18.337 0.013 32 1 no 0.148 0 0
1 95 MET QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 MET QG 17 no 100.0 100.0 4.075 4.075 0.000 19 4 no 0.043 0 0
1 100 ARG QB 75 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 100 ARG QD 168 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.064 0 0
1 101 LEU QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 LEU QD 20 no 100.0 0.0 0.000 0.002 0.002 14 0 no 0.094 0 0
1 102 LEU QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.022 0 0
1 102 LEU QD 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 VAL QG 44 no 100.0 98.5 1.756 1.782 0.027 10 2 no 0.528 0 2
1 105 PRO QD 111 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.132 0 0
1 105 PRO QG 164 no 90.5 100.0 0.459 0.459 0.000 2 0 no 0.000 0 0
1 106 GLN QB 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.074 0 0
1 107 GLU QG 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 108 ARG QB 41 no 100.0 100.0 1.911 1.911 0.000 10 0 no 0.012 0 0
1 108 ARG QG 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.025 0 0
1 109 TRP QB 62 no 100.0 99.4 2.797 2.815 0.017 7 0 no 0.244 0 0
1 110 GLN QB 74 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 112 TYR QB 61 no 100.0 100.0 1.170 1.170 0.000 7 0 no 0.000 0 0
1 115 GLU QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 GLU QG 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 118 ARG QB 161 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.129 0 0
1 118 ARG QG 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 GLN QE 73 no 100.0 0.0 0.000 0.010 0.010 6 0 no 0.192 0 0
1 120 LEU QB 84 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 120 LEU QD 7 no 100.0 99.4 18.061 18.176 0.115 31 6 no 0.339 0 0
1 122 VAL QG 14 no 100.0 99.9 24.839 24.854 0.015 22 0 no 0.238 0 0
1 124 LEU QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 124 LEU QD 3 no 100.0 100.0 17.807 17.812 0.005 34 2 no 0.142 0 0
1 125 GLU QG 72 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.038 0 0
1 127 ASN QB 71 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.110 0 0
1 127 ASN QD 158 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.113 0 0
1 128 PRO QD 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 130 ASN QB 48 no 100.0 98.9 0.610 0.617 0.007 9 0 no 0.377 0 0
1 130 ASN QD 70 no 100.0 0.0 0.000 0.163 0.163 6 0 no 0.480 0 0
1 131 PRO QB 69 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.083 0 0
1 131 PRO QD 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 132 ARG QB 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 132 ARG QG 105 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.170 0 0
1 134 TYR QB 60 no 100.0 99.7 1.285 1.289 0.004 7 0 no 0.144 0 0
1 135 PHE QB 53 no 100.0 100.0 0.439 0.439 0.000 8 0 no 0.000 0 0
1 136 LEU QB 187 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 136 LEU QD 22 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.049 0 0
1 137 GLN QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 137 GLN QE 23 no 90.5 0.0 0.000 0.085 0.085 14 6 no 0.352 0 0
1 137 GLN QG 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 GLN QB 19 no 100.0 99.6 3.017 3.029 0.012 18 6 no 0.126 0 0
1 139 GLN QE 51 no 100.0 98.1 1.303 1.328 0.026 9 4 no 0.187 0 0
1 139 GLN QG 40 no 100.0 0.0 0.000 0.004 0.004 10 0 no 0.104 0 0
1 140 SER QB 45 no 100.0 100.0 1.021 1.021 0.000 10 4 no 0.061 0 0
1 141 LEU QB 83 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 141 LEU QD 4 no 100.0 99.9 24.924 24.960 0.036 33 6 no 0.406 0 0
1 142 LEU QB 37 no 100.0 100.0 0.541 0.541 0.000 11 4 no 0.000 0 0
1 142 LEU QD 15 no 100.0 99.9 13.770 13.790 0.020 22 7 no 0.173 0 0
1 143 TYR QB 104 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 145 PRO QD 39 no 100.0 100.0 1.938 1.939 0.001 10 0 no 0.087 0 0
1 145 PRO QG 89 no 85.7 99.9 2.130 2.132 0.001 5 0 no 0.101 0 0
1 147 GLN QB 154 no 100.0 0.0 0.000 0.010 0.010 2 0 no 0.187 0 0
1 147 GLN QG 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 148 PHE QB 68 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.061 0 0
1 149 GLY QA 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 150 GLY QA 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 GLY QA 189 no 95.2 98.7 0.254 0.258 0.003 1 0 no 0.269 0 0
1 153 ASP QB 103 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 154 LYS QG 43 no 100.0 99.9 4.078 4.081 0.004 10 2 no 0.135 0 0
1 156 LEU QB 150 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.119 0 0
1 156 LEU QD 102 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.034 0 0
1 157 PRO QB 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 157 PRO QD 31 no 100.0 99.6 1.318 1.323 0.005 11 0 no 0.185 0 0
1 157 PRO QG 148 no 100.0 0.0 0.000 0.009 0.009 2 0 no 0.268 0 0
1 158 PHE QB 52 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 160 GLU QB 101 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.115 0 0
1 160 GLU QG 100 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 161 LYS QB 38 no 100.0 98.5 1.219 1.237 0.018 10 0 no 0.192 0 0
1 161 LYS QD 99 no 100.0 0.0 0.000 0.070 0.070 4 0 no 0.459 0 0
1 161 LYS QE 98 no 100.0 0.0 0.000 0.014 0.014 4 0 no 0.215 0 0
1 163 VAL QG 12 no 100.0 99.8 8.308 8.327 0.019 24 2 no 0.190 0 0
1 164 SER QB 147 no 100.0 0.0 0.000 0.009 0.009 2 0 no 0.263 0 0
1 165 CYS QB 97 no 100.0 0.0 0.000 0.027 0.027 4 0 no 0.395 0 0
1 171 VAL QG 18 no 100.0 100.0 16.674 16.679 0.005 18 2 no 0.202 0 0
1 173 PRO QB 146 no 100.0 99.8 1.846 1.850 0.005 2 0 no 0.119 0 0
1 173 PRO QG 28 no 100.0 99.6 3.106 3.118 0.012 12 0 no 0.312 0 0
1 175 TYR QB 82 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.068 0 0
1 177 PRO QB 47 no 100.0 99.7 2.286 2.293 0.006 9 0 no 0.280 0 0
1 177 PRO QD 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 178 HIS QB 130 no 100.0 99.8 0.755 0.756 0.002 4 2 no 0.135 0 0
1 179 TRP QB 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 180 GLY QA 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 181 GLU QB 96 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.036 0 0
1 182 GLN QG 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.067 0 0
1 183 GLN QB 59 no 100.0 0.0 0.000 0.022 0.022 8 4 no 0.331 0 0
1 183 GLN QE 133 no 100.0 0.0 0.000 0.022 0.022 4 4 no 0.331 0 0
1 183 GLN QG 67 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.064 0 0
1 185 ARG QB 129 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 185 ARG QD 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 186 GLN QE 186 no 100.0 0.0 0.000 0.004 0.004 2 2 no 0.109 0 0
1 186 GLN QG 141 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 187 LEU QB 34 no 100.0 99.4 1.175 1.182 0.007 11 2 no 0.116 0 0
1 187 LEU QD 8 no 100.0 99.4 4.742 4.768 0.026 29 5 no 0.169 0 0
1 188 LEU QB 140 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 188 LEU QD 66 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.085 0 0
1 189 MET QB 139 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 189 MET QG 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 190 LEU QB 30 no 100.0 98.8 0.579 0.586 0.007 12 5 no 0.132 0 0
1 190 LEU QD 26 no 100.0 99.9 4.264 4.270 0.005 13 5 no 0.122 0 0
1 191 CYS QB 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 192 LYS QB 94 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.120 0 0
1 192 LYS QG 65 no 100.0 0.0 0.000 0.045 0.045 6 0 no 0.345 0 0
1 194 GLU QB 93 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.165 0 0
1 194 GLU QG 64 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.250 0 0
1 198 LEU QD 135 no 66.7 78.8 0.052 0.066 0.014 3 0 no 0.261 0 0
1 199 VAL QG 134 no 4.8 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 200 PRO QD 136 no 100.0 0.0 0.000 0.020 0.020 2 0 no 0.548 0 1
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