NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512403 |
2ldk   |
17670 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2ldk
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 204
_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 0.728
_Stereo_assign_list.Total_e_high_states 243.271
_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 VAL QG 14 no 100.0 99.9 4.331 4.334 0.002 36 8 no 0.136 0 0
1 3 VAL QG 16 no 100.0 99.5 6.358 6.390 0.032 35 8 no 0.239 0 0
1 4 SER QB 55 no 100.0 0.0 0.000 0.005 0.005 14 6 no 0.307 0 0
1 5 VAL QG 15 no 100.0 100.0 11.544 11.548 0.004 35 4 no 0.103 0 0
1 6 ASP QB 54 no 100.0 0.0 0.000 0.006 0.006 14 6 no 0.161 0 0
1 7 LYS QB 102 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.058 0 0
1 7 LYS QE 71 no 100.0 0.0 0.000 0.004 0.004 12 8 no 0.145 0 0
1 7 LYS QG 64 no 100.0 0.0 0.000 0.002 0.002 12 2 no 0.182 0 0
1 8 ASP QB 113 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 9 VAL QG 13 no 100.0 99.9 9.971 9.982 0.011 40 10 no 0.185 0 0
1 10 GLU QB 86 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.122 0 0
1 10 GLU QG 112 no 100.0 0.0 0.000 0.009 0.009 8 0 no 0.213 0 0
1 12 LEU QB 69 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.062 0 0
1 12 LEU QD 7 no 100.0 99.9 12.043 12.050 0.007 50 10 no 0.166 0 0
1 13 SER QB 49 no 0.0 0.0 0.000 0.011 0.011 14 0 no 0.167 0 0
1 14 PHE QB 85 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.022 0 0
1 15 SER QB 24 no 100.0 0.0 0.000 0.011 0.011 22 8 no 0.170 0 0
1 16 ILE QG 84 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 17 VAL QG 17 no 100.0 100.0 11.269 11.269 0.000 35 12 no 0.000 0 0
1 19 GLU QB 101 no 55.0 99.1 0.030 0.030 0.000 10 4 no 0.073 0 0
1 19 GLU QG 100 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.092 0 0
1 20 PHE QB 39 no 95.0 100.0 0.301 0.301 0.000 16 5 no 0.000 0 0
1 21 ASP QB 145 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.100 0 0
1 23 ASP QB 23 no 100.0 98.9 2.189 2.213 0.024 22 7 no 0.163 0 0
1 24 VAL QG 1 no 100.0 99.8 21.654 21.706 0.052 72 28 no 0.240 0 0
1 25 LYS QB 114 no 100.0 0.0 0.000 0.000 0.000 8 1 no 0.000 0 0
1 25 LYS QG 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 26 ARG QB 53 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.080 0 0
1 26 ARG QD 93 no 100.0 0.0 0.000 0.001 0.001 10 2 no 0.098 0 0
1 26 ARG QG 99 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.013 0 0
1 27 VAL QG 4 no 100.0 100.0 17.349 17.349 0.000 57 17 no 0.044 0 0
1 28 TRP QB 22 no 50.0 4.7 0.000 0.006 0.006 24 9 no 0.147 0 0
1 30 ILE QG 32 no 100.0 100.0 0.470 0.470 0.000 17 1 no 0.000 0 0
1 31 TRP QB 94 no 100.0 100.0 1.903 1.903 0.000 10 3 no 0.057 0 0
1 32 GLU QB 31 no 85.0 94.9 0.011 0.011 0.001 17 1 no 0.084 0 0
1 32 GLU QG 111 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 33 ASP QB 28 no 100.0 0.0 0.000 0.011 0.011 20 14 no 0.243 0 0
1 34 PRO QD 156 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 34 PRO QG 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 ARG QB 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 35 ARG QD 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 ARG QG 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 ARG QH1 200 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.160 0 0
1 35 ARG QH2 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.060 0 0
1 36 GLN QB 43 no 10.0 100.0 0.003 0.003 0.000 15 3 no 0.000 0 0
1 36 GLN QE 104 no 100.0 0.0 0.000 0.012 0.012 10 6 no 0.243 0 0
1 36 GLN QG 98 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 37 LEU QB 144 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 37 LEU QD 9 no 100.0 99.4 14.140 14.221 0.081 47 2 no 0.254 0 0
1 38 GLU QB 143 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 39 ARG QD 118 no 100.0 0.0 0.000 0.011 0.011 8 2 no 0.249 0 0
1 39 ARG QG 142 no 100.0 0.0 0.000 0.017 0.017 6 0 no 0.308 0 0
1 40 TRP QB 37 no 100.0 100.0 0.203 0.203 0.000 16 3 no 0.000 0 0
1 41 TRP QB 151 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 42 GLY QA 73 no 65.0 99.9 0.159 0.159 0.000 11 1 no 0.068 0 0
1 43 PRO QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 PRO QD 92 no 100.0 99.9 1.609 1.610 0.002 10 2 no 0.121 0 0
1 43 PRO QG 182 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.012 0 0
1 44 PRO QD 181 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 46 TRP QB 125 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.012 0 0
1 47 PRO QG 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 51 GLU QB 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.050 0 0
1 51 GLU QG 48 no 90.0 99.5 0.230 0.231 0.001 14 0 no 0.119 0 0
1 53 HIS QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 GLU QB 34 no 100.0 100.0 0.207 0.207 0.000 17 4 no 0.000 0 0
1 54 GLU QG 83 no 10.0 0.0 0.000 0.024 0.024 10 0 no 0.220 0 0
1 55 PHE QB 82 no 100.0 100.0 0.004 0.004 0.000 10 0 no 0.000 0 0
1 57 VAL QG 20 no 100.0 100.0 4.675 4.676 0.000 24 3 no 0.045 0 0
1 58 GLY QA 124 no 100.0 0.0 0.000 0.004 0.004 8 6 no 0.132 0 0
1 59 GLY QA 121 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.189 0 0
1 60 LYS QB 63 no 75.0 99.9 0.132 0.132 0.000 12 2 no 0.040 0 0
1 60 LYS QE 106 no 100.0 0.0 0.000 0.002 0.002 10 10 no 0.166 0 0
1 60 LYS QG 70 no 100.0 0.0 0.000 0.002 0.002 12 8 no 0.178 0 0
1 63 TYR QB 127 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 64 TYR QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 MET QB 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 MET QG 30 no 60.0 97.8 0.131 0.134 0.003 18 1 no 0.131 0 0
1 67 GLY QA 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 PRO QB 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 68 PRO QD 57 no 100.0 99.8 0.775 0.777 0.002 13 0 no 0.079 0 0
1 68 PRO QG 81 no 100.0 98.1 0.247 0.251 0.005 10 0 no 0.142 0 0
1 69 ASP QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 GLY QA 195 no 30.0 99.4 0.017 0.017 0.000 2 0 no 0.047 0 0
1 72 LYS QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 LYS QD 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 LYS QE 80 no 100.0 0.0 0.000 0.007 0.007 10 0 no 0.213 0 0
1 72 LYS QG 110 no 0.0 0.0 0.000 0.006 0.006 8 0 no 0.185 0 0
1 74 ARG QB 72 no 95.0 100.0 0.635 0.636 0.000 11 0 no 0.062 0 0
1 74 ARG QD 79 no 0.0 0.0 0.000 0.001 0.001 10 0 no 0.083 0 0
1 74 ARG QG 140 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.053 0 0
1 76 TRP QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 77 TRP QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 78 GLN QB 41 no 100.0 0.0 0.000 0.001 0.001 16 8 no 0.111 0 0
1 78 GLN QE 42 no 100.0 0.0 0.000 0.007 0.007 16 12 no 0.178 0 0
1 78 GLN QG 78 no 0.0 0.0 0.000 0.006 0.006 10 0 no 0.144 0 0
1 79 PHE QB 38 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 82 ILE QG 117 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 83 GLU QB 180 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 83 GLU QG 66 no 0.0 0.0 0.000 0.005 0.005 12 4 no 0.109 0 0
1 85 PRO QB 65 no 25.0 71.4 0.001 0.001 0.000 12 4 no 0.063 0 0
1 85 PRO QD 128 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 85 PRO QG 204 no 100.0 0.0 0.000 0.002 0.002 2 2 no 0.098 0 0
1 86 ASP QB 105 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 87 HIS QB 56 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 88 LEU QB 18 no 100.0 97.8 0.100 0.103 0.002 29 6 no 0.110 0 0
1 88 LEU QD 10 no 100.0 100.0 13.077 13.077 0.000 47 8 no 0.023 0 0
1 89 GLU QB 62 no 100.0 99.9 0.432 0.432 0.000 12 0 no 0.050 0 0
1 89 GLU QG 47 no 100.0 100.0 0.372 0.372 0.000 14 0 no 0.000 0 0
1 90 PHE QB 77 no 20.0 47.7 0.004 0.009 0.004 10 0 no 0.188 0 0
1 94 PHE QB 155 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 96 ASP QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 GLU QG 76 no 100.0 0.0 0.000 0.004 0.004 10 0 no 0.116 0 0
1 98 HIS QB 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.073 0 0
1 99 GLY QA 109 no 100.0 100.0 0.383 0.383 0.000 8 0 no 0.007 0 0
1 101 PRO QB 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 101 PRO QD 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.035 0 0
1 101 PRO QG 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 VAL QG 11 no 100.0 100.0 21.254 21.262 0.009 46 11 no 0.168 0 0
1 103 ASP QB 150 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.046 0 0
1 104 GLU QB 74 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 105 LEU QB 149 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 105 LEU QD 12 no 100.0 99.9 14.670 14.678 0.008 44 13 no 0.143 0 0
1 106 GLY QA 148 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 107 VAL QG 19 no 100.0 100.0 8.388 8.389 0.001 25 0 no 0.077 0 0
1 109 HIS QB 169 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.099 0 0
1 112 VAL QG 3 no 100.0 100.0 9.795 9.795 0.000 66 17 no 0.022 0 0
1 113 LYS QB 33 no 100.0 100.0 0.328 0.328 0.000 17 2 no 0.038 0 0
1 113 LYS QD 137 no 100.0 0.0 0.000 0.011 0.011 6 0 no 0.198 0 0
1 113 LYS QE 116 no 0.0 0.0 0.000 0.020 0.020 8 2 no 0.220 0 0
1 113 LYS QG 61 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.034 0 0
1 114 LEU QB 27 no 100.0 97.7 0.071 0.072 0.002 20 11 no 0.097 0 0
1 114 LEU QD 2 no 100.0 100.0 20.767 20.775 0.008 70 25 no 0.147 0 0
1 115 GLU QB 103 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 115 GLU QG 154 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.021 0 0
1 116 PRO QB 147 no 100.0 0.0 0.000 0.004 0.004 6 2 no 0.138 0 0
1 116 PRO QD 45 no 25.0 54.2 0.012 0.022 0.010 15 9 no 0.179 0 0
1 116 PRO QG 146 no 100.0 97.1 0.075 0.077 0.002 6 2 no 0.086 0 0
1 117 LEU QD 8 no 100.0 99.7 4.739 4.751 0.012 49 11 no 0.198 0 0
1 118 GLU QB 108 no 100.0 0.0 0.000 0.009 0.009 8 0 no 0.200 0 0
1 118 GLU QG 136 no 0.0 0.0 0.000 0.016 0.016 6 0 no 0.265 0 0
1 119 ASN QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 120 ARG QB 36 no 90.0 99.7 0.128 0.129 0.000 16 3 no 0.090 0 0
1 120 ARG QG 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.044 0 0
1 122 ARG QB 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 122 ARG QD 123 no 100.0 0.0 0.000 0.008 0.008 8 6 no 0.140 0 0
1 122 ARG QG 68 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.092 0 0
1 122 ARG QH2 179 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 123 MET QB 44 no 100.0 0.0 0.000 0.000 0.000 15 5 no 0.000 0 0
1 123 MET QG 91 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 125 ILE QG 26 no 70.0 99.6 0.037 0.038 0.000 20 4 no 0.053 0 0
1 126 ILE QG 25 no 75.0 97.9 0.081 0.083 0.002 20 2 no 0.118 0 0
1 127 SER QB 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 129 PHE QB 35 no 100.0 91.0 0.001 0.001 0.000 17 8 no 0.111 0 0
1 130 GLU QG 90 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.029 0 0
1 131 SER QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 132 GLU QB 153 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.123 0 0
1 132 GLU QG 122 no 100.0 0.0 0.000 0.003 0.003 8 6 no 0.212 0 0
1 133 GLU QB 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 133 GLU QG 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 134 GLN QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 134 GLN QE 21 no 90.0 99.4 0.282 0.283 0.002 24 4 no 0.110 0 0
1 135 MET QB 163 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.086 0 0
1 135 MET QG 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 136 GLN QB 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 136 GLN QE 67 no 0.0 0.0 0.000 0.007 0.007 12 6 no 0.212 0 0
1 136 GLN QG 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 137 LYS QB 115 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 137 LYS QG 52 no 100.0 0.0 0.000 0.001 0.001 14 6 no 0.116 0 0
1 138 MET QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 138 MET QG 29 no 100.0 100.0 0.626 0.627 0.000 19 4 no 0.044 0 0
1 140 GLU QB 132 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.079 0 0
1 140 GLU QG 131 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.097 0 0
1 141 MET QB 130 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 141 MET QG 40 no 100.0 0.0 0.000 0.001 0.001 16 6 no 0.116 0 0
1 143 MET QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 MET QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 GLU QG 185 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.102 0 0
1 145 GLU QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 MET QB 60 no 100.0 0.0 0.000 0.002 0.002 12 0 no 0.115 0 0
1 147 MET QG 59 no 95.0 0.0 0.000 0.021 0.021 12 0 no 0.280 0 0
1 148 ARG QB 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 148 ARG QD 51 no 100.0 0.0 0.000 0.001 0.001 14 6 no 0.148 0 0
1 149 GLU QB 97 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 149 GLU QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 151 ILE QG 75 no 100.0 100.0 0.000 0.000 0.000 10 0 no 0.040 0 0
1 152 GLU QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 152 GLU QG 96 no 0.0 0.0 0.000 0.001 0.001 10 4 no 0.101 0 0
1 153 GLN QB 120 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 153 GLN QE 119 no 100.0 0.0 0.000 0.005 0.005 8 4 no 0.310 0 0
1 154 ILE QG 58 no 100.0 99.9 0.240 0.240 0.000 13 2 no 0.060 0 0
1 155 ASP QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 157 VAL QG 6 no 100.0 100.0 16.432 16.432 0.000 54 9 no 0.033 0 0
1 158 LEU QB 89 no 100.0 100.0 0.327 0.327 0.000 10 2 no 0.000 0 0
1 158 LEU QD 5 no 100.0 99.9 6.594 6.600 0.006 56 15 no 0.196 0 0
1 159 SER QB 46 no 90.0 0.0 0.000 0.036 0.036 14 0 no 0.264 0 0
1 160 GLU QB 88 no 100.0 0.0 0.000 0.025 0.025 10 2 no 0.199 0 0
1 160 GLU QG 87 no 100.0 0.0 0.000 0.015 0.015 10 2 no 0.227 0 0
1 161 PRO QB 126 no 90.0 99.8 0.655 0.656 0.001 7 0 no 0.102 0 0
1 161 PRO QD 50 no 90.0 85.6 0.085 0.099 0.014 14 4 no 0.199 0 0
1 163 ASN QB 107 no 100.0 0.0 0.000 0.029 0.029 8 0 no 0.289 0 0
1 163 ASN QD 157 no 0.0 0.0 0.000 0.002 0.002 4 0 no 0.109 0 0
1 165 LEU QB 152 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 165 LEU QD 95 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 166 GLU QG 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
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