NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
464703 |
2kw7   |
16810 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kw7
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 0.348
_Stereo_assign_list.Total_e_high_states 852.936
_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 2 ARG QD 92 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.051 0 0
1 2 ARG QG 156 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.114 0 0
1 3 VAL QG 26 no 100.0 100.0 17.482 17.483 0.001 68 8 no 0.056 0 0
1 4 TYR QB 142 no 100.0 0.0 0.000 0.000 0.000 12 12 no 0.000 0 0
1 5 LYS QB 108 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.008 0 0
1 5 LYS QD 189 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 5 LYS QG 107 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 6 PRO QB 168 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 6 PRO QD 64 no 100.0 0.0 0.000 0.000 0.000 28 16 no 0.000 0 0
1 6 PRO QG 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 7 GLU QG 155 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.036 0 0
1 8 ASP QB 81 no 100.0 0.0 0.000 0.000 0.000 20 4 no 0.025 0 0
1 9 VAL QG 9 no 100.0 100.0 44.718 44.719 0.001 90 40 no 0.071 0 0
1 10 PRO QB 99 no 75.0 100.0 0.604 0.604 0.000 16 6 no 0.000 0 0
1 10 PRO QD 167 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 10 PRO QG 133 no 70.0 100.0 1.825 1.826 0.000 12 6 no 0.026 0 0
1 11 ASN QB 154 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 11 ASN QD 192 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.058 0 0
1 12 VAL QG 32 no 100.0 100.0 21.249 21.249 0.000 60 14 no 0.026 0 0
1 13 GLN QB 85 no 100.0 0.0 0.000 0.000 0.000 20 12 no 0.000 0 0
1 13 GLN QE 77 no 100.0 0.0 0.000 0.000 0.000 24 12 no 0.035 0 0
1 13 GLN QG 61 no 100.0 0.0 0.000 0.004 0.004 28 8 no 0.121 0 0
1 14 LEU QB 191 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 14 LEU QD 60 no 100.0 99.6 1.340 1.346 0.006 28 8 no 0.218 0 0
1 19 ARG QB 132 no 0.0 0.0 0.000 0.004 0.004 12 4 no 0.148 0 0
1 19 ARG QD 169 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.053 0 0
1 19 ARG QG 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 LEU QB 141 no 100.0 0.0 0.000 0.000 0.000 12 12 no 0.000 0 0
1 20 LEU QD 6 no 100.0 100.0 36.127 36.139 0.012 96 32 no 0.132 0 0
1 21 VAL QG 3 no 100.0 100.0 41.255 41.263 0.008 104 36 no 0.148 0 0
1 23 ASP QB 166 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 24 GLU QB 131 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 24 GLU QG 106 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 26 GLY QA 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 LEU QB 105 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 27 LEU QD 24 no 100.0 100.0 12.765 12.765 0.001 70 20 no 0.048 0 0
1 28 LEU QB 140 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 28 LEU QD 22 no 100.0 100.0 32.278 32.281 0.003 74 10 no 0.096 0 0
1 30 ASN QD 153 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 32 GLN QB 57 no 100.0 100.0 0.633 0.633 0.000 28 4 no 0.026 0 0
1 32 GLN QE 152 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.034 0 0
1 33 GLU QG 84 no 100.0 0.0 0.000 0.000 0.000 20 12 no 0.016 0 0
1 34 GLU QB 91 no 100.0 0.0 0.000 0.004 0.004 16 0 no 0.133 0 0
1 35 VAL QG 42 no 100.0 100.0 12.180 12.180 0.000 36 2 no 0.053 0 0
1 36 MET QB 55 no 100.0 100.0 0.694 0.694 0.000 30 14 no 0.000 0 0
1 36 MET QG 87 no 100.0 0.0 0.000 0.002 0.002 20 16 no 0.149 0 0
1 37 ASN QB 98 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 37 ASN QD 130 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.056 0 0
1 38 GLY QA 73 no 100.0 99.8 1.486 1.489 0.003 24 10 no 0.083 0 0
1 39 ARG QB 165 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 39 ARG QD 139 no 100.0 0.0 0.000 0.002 0.002 12 8 no 0.081 0 0
1 39 ARG QG 185 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.093 0 0
1 40 LEU QB 164 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 40 LEU QD 12 no 100.0 100.0 18.521 18.525 0.003 86 32 no 0.088 0 0
1 41 ARG QB 138 no 100.0 0.0 0.000 0.003 0.003 12 8 no 0.083 0 0
1 41 ARG QD 97 no 100.0 0.0 0.000 0.001 0.001 16 4 no 0.078 0 0
1 41 ARG QG 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 ILE QG 190 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.034 0 0
1 44 ARG QB 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 44 ARG QD 163 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.029 0 0
1 46 SER QB 70 no 0.0 0.0 0.000 0.008 0.008 24 0 no 0.173 0 0
1 47 HIS QB 83 no 100.0 0.0 0.000 0.000 0.000 20 12 no 0.000 0 0
1 49 VAL QG 29 no 100.0 100.0 16.152 16.153 0.001 64 24 no 0.084 0 0
1 50 GLU QB 129 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 50 GLU QG 50 no 100.0 99.8 2.764 2.769 0.005 32 12 no 0.131 0 0
1 51 PHE QB 54 no 100.0 100.0 1.665 1.665 0.000 32 20 no 0.000 0 0
1 53 VAL QG 21 no 100.0 100.0 30.521 30.521 0.000 78 22 no 0.000 0 0
1 54 VAL QG 20 no 100.0 100.0 25.022 25.022 0.000 80 26 no 0.000 0 0
1 56 LEU QB 34 no 100.0 95.1 0.398 0.418 0.020 56 24 no 0.143 0 0
1 56 LEU QD 1 no 100.0 99.8 17.376 17.406 0.030 112 40 no 0.200 0 0
1 57 PRO QB 128 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 57 PRO QD 76 no 100.0 0.0 0.000 0.000 0.000 24 12 no 0.000 0 0
1 57 PRO QG 90 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.030 0 0
1 59 ILE QG 62 no 100.0 100.0 0.858 0.858 0.000 28 12 no 0.011 0 0
1 60 GLY QA 137 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.030 0 0
1 61 ASP QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 PRO QB 151 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 63 PRO QD 104 no 100.0 0.0 0.000 0.001 0.001 16 8 no 0.039 0 0
1 63 PRO QG 103 no 100.0 0.0 0.000 0.001 0.001 16 8 no 0.060 0 0
1 64 LEU QB 96 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 64 LEU QD 7 no 100.0 100.0 31.150 31.152 0.002 96 34 no 0.068 0 0
1 65 GLU QB 150 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 65 GLU QG 102 no 100.0 0.0 0.000 0.001 0.001 16 8 no 0.044 0 0
1 66 ASP QB 52 no 100.0 0.0 0.000 0.001 0.001 32 16 no 0.039 0 0
1 67 PHE QB 72 no 100.0 0.0 0.000 0.000 0.000 24 4 no 0.000 0 0
1 69 LEU QB 101 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 69 LEU QD 35 no 100.0 100.0 9.607 9.609 0.001 50 12 no 0.071 0 0
1 70 LYS QB 39 no 100.0 99.9 1.774 1.775 0.001 38 4 no 0.104 0 0
1 70 LYS QG 122 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 71 LEU QB 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 LEU QD 2 no 100.0 100.0 33.036 33.044 0.007 104 34 no 0.126 0 0
1 73 ARG QG 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 74 GLN QE 41 no 100.0 99.9 3.003 3.006 0.003 38 8 no 0.104 0 0
1 74 GLN QG 71 no 100.0 0.0 0.000 0.000 0.000 24 4 no 0.000 0 0
1 75 TRP QB 121 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 77 VAL QG 33 no 100.0 99.8 4.700 4.707 0.007 58 16 no 0.111 0 0
1 80 GLU QB 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 80 GLU QG 149 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.092 0 0
1 81 LYS QE 162 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.071 0 0
1 81 LYS QG 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 ASN QB 111 no 80.0 99.2 1.702 1.716 0.014 14 4 no 0.206 0 0
1 82 ASN QD 95 no 100.0 0.0 0.000 0.009 0.009 16 4 no 0.166 0 0
1 84 ASN QB 127 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.023 0 0
1 84 ASN QD 161 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.084 0 0
1 85 GLY QA 79 no 100.0 100.0 3.693 3.694 0.001 22 10 no 0.074 0 0
1 86 LEU QB 68 no 100.0 100.0 1.029 1.029 0.000 26 10 no 0.024 0 0
1 86 LEU QD 15 no 100.0 100.0 16.575 16.575 0.000 84 32 no 0.034 0 0
1 87 LEU QB 43 no 100.0 100.0 2.572 2.572 0.001 36 16 no 0.036 0 0
1 87 LEU QD 17 no 100.0 100.0 13.724 13.725 0.000 82 16 no 0.042 0 0
1 88 LEU QB 59 no 100.0 0.0 0.000 0.000 0.000 28 8 no 0.015 0 0
1 88 LEU QD 13 no 100.0 100.0 22.429 22.430 0.001 84 22 no 0.067 0 0
1 89 VAL QG 18 no 100.0 100.0 25.437 25.437 0.000 82 22 no 0.025 0 0
1 90 LEU QB 36 no 100.0 100.0 0.923 0.923 0.000 48 20 no 0.000 0 0
1 90 LEU QD 4 no 100.0 100.0 29.690 29.702 0.012 98 28 no 0.088 0 0
1 91 VAL QG 8 no 100.0 100.0 14.042 14.048 0.006 94 22 no 0.119 0 0
1 92 LEU QB 67 no 100.0 99.9 4.871 4.874 0.003 26 8 no 0.116 0 0
1 92 LEU QD 31 no 100.0 100.0 16.485 16.485 0.000 60 12 no 0.015 0 0
1 94 GLN QB 94 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.061 0 0
1 94 GLN QE 109 no 100.0 0.0 0.000 0.000 0.000 16 12 no 0.010 0 0
1 94 GLN QG 160 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.016 0 0
1 95 ARG QB 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 ARG QG 148 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 96 ARG QB 82 no 100.0 0.0 0.000 0.001 0.001 20 12 no 0.068 0 0
1 96 ARG QD 159 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.068 0 0
1 96 ARG QG 126 no 0.0 0.0 0.000 0.013 0.013 12 4 no 0.138 0 0
1 97 VAL QG 19 no 100.0 100.0 25.963 25.970 0.007 82 24 no 0.088 0 0
1 98 ARG QB 125 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 98 ARG QD 63 no 100.0 0.0 0.000 0.001 0.001 28 16 no 0.044 0 0
1 98 ARG QG 147 no 0.0 0.0 0.000 0.002 0.002 8 0 no 0.089 0 0
1 99 PHE QB 136 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 100 GLU QB 66 no 30.0 99.9 1.001 1.002 0.001 26 6 no 0.086 0 0
1 100 GLU QG 176 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.175 0 0
1 103 TYR QB 58 no 100.0 0.0 0.000 0.001 0.001 28 8 no 0.078 0 0
1 104 GLY QA 49 no 100.0 93.5 0.539 0.576 0.037 32 10 no 0.287 0 0
1 105 LEU QB 38 no 100.0 100.0 5.585 5.587 0.002 40 10 no 0.066 0 0
1 105 LEU QD 14 no 100.0 100.0 25.309 25.315 0.006 84 24 no 0.130 0 0
1 106 GLU QG 89 no 100.0 0.0 0.000 0.001 0.001 16 0 no 0.068 0 0
1 108 TYR QB 75 no 100.0 0.0 0.000 0.000 0.000 24 12 no 0.000 0 0
1 109 LEU QB 47 no 65.0 100.0 0.094 0.094 0.000 34 20 no 0.011 0 0
1 109 LEU QD 16 no 100.0 100.0 25.833 25.841 0.008 84 36 no 0.102 0 0
1 110 PRO QB 120 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 110 PRO QD 44 no 100.0 100.0 2.079 2.079 0.000 36 20 no 0.000 0 0
1 110 PRO QG 158 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 111 ASP QB 146 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 113 LEU QB 86 no 100.0 0.0 0.000 0.000 0.000 20 16 no 0.000 0 0
1 113 LEU QD 25 no 100.0 100.0 34.337 34.346 0.008 70 28 no 0.097 0 0
1 114 LEU QB 124 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 114 LEU QD 5 no 100.0 100.0 30.546 30.546 0.000 98 32 no 0.030 0 0
1 115 SER QB 119 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 116 ARG QG 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 117 ILE QG 88 no 75.0 99.9 0.541 0.542 0.000 16 0 no 0.043 0 0
1 118 ILE QG 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 119 HIS QB 56 no 100.0 98.8 0.287 0.290 0.004 28 0 no 0.091 0 0
1 120 ASP QB 118 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 121 ARG QB 110 no 25.0 100.0 0.128 0.128 0.000 14 0 no 0.007 0 0
1 122 MET QB 48 no 100.0 100.0 5.711 5.712 0.001 32 2 no 0.068 0 0
1 122 MET QG 117 no 100.0 0.0 0.000 0.002 0.002 12 0 no 0.115 0 0
1 123 ILE QG 69 no 100.0 100.0 0.775 0.775 0.000 24 0 no 0.000 0 0
1 124 PRO QB 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 124 PRO QD 116 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 125 HIS QB 37 no 25.0 100.0 0.111 0.111 0.000 42 16 no 0.000 0 0
1 126 PHE QB 65 no 100.0 100.0 0.861 0.861 0.000 26 2 no 0.000 0 0
1 127 ARG QG 115 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.035 0 0
1 128 SER QB 93 no 100.0 0.0 0.000 0.001 0.001 16 4 no 0.042 0 0
1 129 GLY QA 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 130 ASN QB 74 no 100.0 0.0 0.000 0.000 0.000 24 12 no 0.000 0 0
1 130 ASN QD 46 no 100.0 98.6 0.824 0.835 0.011 34 20 no 0.147 0 0
1 131 TYR QB 51 no 100.0 99.8 0.801 0.803 0.002 32 16 no 0.072 0 0
1 133 GLU QB 53 no 100.0 0.0 0.000 0.004 0.004 32 20 no 0.074 0 0
1 133 GLU QG 135 no 100.0 0.0 0.000 0.006 0.006 12 8 no 0.147 0 0
1 134 GLY QA 100 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 135 LEU QB 114 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 135 LEU QD 28 no 100.0 100.0 8.098 8.099 0.001 64 16 no 0.064 0 0
1 136 SER QB 145 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 137 GLU QB 113 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.110 0 0
1 138 GLY QA 112 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 139 VAL QG 10 no 100.0 100.0 33.222 33.223 0.001 86 16 no 0.059 0 0
1 140 LEU QB 40 no 100.0 100.0 1.077 1.077 0.000 38 8 no 0.008 0 0
1 140 LEU QD 27 no 100.0 100.0 12.216 12.217 0.001 66 28 no 0.063 0 0
1 142 VAL QG 23 no 100.0 100.0 9.977 9.977 0.000 72 14 no 0.015 0 0
1 143 GLN QB 80 no 100.0 0.0 0.000 0.000 0.000 20 4 no 0.000 0 0
1 143 GLN QE 45 no 95.0 99.5 0.448 0.451 0.002 34 12 no 0.117 0 0
1 144 GLN QB 144 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 144 GLN QE 134 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.039 0 0
1 144 GLN QG 123 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 145 VAL QG 30 no 100.0 100.0 21.303 21.305 0.002 62 12 no 0.060 0 0
1 146 LEU QB 157 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 146 LEU QD 11 no 100.0 100.0 28.400 28.402 0.002 86 28 no 0.093 0 0
1 147 ASP QB 143 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 150 LEU QD 78 no 100.0 99.7 2.169 2.175 0.006 22 0 no 0.120 0 0
1 151 GLU QG 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 152 HIS QB 170 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.111 0 0
stop_
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