NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
636517 |
5zor   |
36179 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_5zor
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 237
_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 0.001
_Stereo_assign_list.Total_e_high_states 142.772
_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 1 MET QB 234 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 1 MET QG 233 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 4 LEU QB 121 no 100.0 100.0 0.764 0.764 0.000 4 1 no 0.000 0 0
1 4 LEU QD 73 no 80.0 100.0 0.552 0.552 0.000 5 1 no 0.000 0 0
1 6 ASP QB 24 no 80.0 100.0 0.164 0.164 0.000 6 0 no 0.000 0 0
1 7 GLU QB 106 no 50.0 100.0 0.010 0.010 0.000 4 0 no 0.000 0 0
1 7 GLU QG 120 no 80.0 100.0 0.906 0.906 0.000 4 1 no 0.000 0 0
1 8 GLN QB 119 no 100.0 100.0 0.722 0.722 0.000 4 1 no 0.000 0 0
1 8 GLN QG 156 no 70.0 100.0 0.405 0.405 0.000 3 0 no 0.000 0 0
1 9 ILE QG 210 no 100.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
1 10 ARG QB 48 no 100.0 100.0 0.181 0.181 0.000 5 0 no 0.000 0 0
1 10 ARG QD 72 no 100.0 100.0 2.357 2.357 0.000 5 1 no 0.000 0 0
1 10 ARG QG 209 no 100.0 100.0 0.056 0.056 0.000 2 0 no 0.000 0 0
1 11 GLU QB 208 no 100.0 100.0 0.107 0.107 0.000 2 0 no 0.000 0 0
1 11 GLU QG 71 no 100.0 100.0 0.821 0.821 0.000 5 1 no 0.000 0 0
1 13 PHE QB 20 no 100.0 100.0 4.273 4.273 0.000 7 2 no 0.002 0 0
1 13 PHE QD 215 no 100.0 100.0 5.628 5.628 0.000 2 1 no 0.000 0 0
1 13 PHE QE 237 no 100.0 100.0 5.993 5.993 0.000 1 1 no 0.001 0 0
1 14 ASN QB 70 no 100.0 100.0 1.140 1.140 0.000 5 1 no 0.000 0 0
1 15 LEU QB 105 no 65.0 100.0 0.009 0.009 0.000 4 0 no 0.000 0 0
1 15 LEU QD 155 no 5.0 100.0 0.025 0.025 0.000 3 0 no 0.000 0 0
1 16 PHE QB 23 no 100.0 100.0 1.478 1.478 0.000 6 0 no 0.000 0 0
1 17 ASP QB 13 no 100.0 100.0 0.869 0.869 0.000 7 1 no 0.000 0 0
1 19 ASP QB 36 no 75.0 100.0 0.436 0.436 0.000 6 2 no 0.000 0 0
1 20 GLY QA 154 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 21 SER QB 69 no 100.0 100.0 1.033 1.033 0.000 5 1 no 0.000 0 0
1 22 GLY QA 104 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 ILE QG 207 no 95.0 100.0 0.025 0.025 0.000 2 0 no 0.000 0 0
1 25 ASP QB 8 no 100.0 100.0 0.082 0.082 0.000 7 0 no 0.000 0 0
1 27 GLU QB 68 no 100.0 100.0 0.090 0.090 0.000 5 1 no 0.000 0 0
1 27 GLU QG 103 no 100.0 100.0 0.258 0.258 0.000 4 0 no 0.000 0 0
1 28 GLU QB 22 no 70.0 100.0 0.063 0.063 0.000 6 0 no 0.000 0 0
1 28 GLU QG 181 no 100.0 100.0 0.526 0.526 0.000 3 1 no 0.000 0 0
1 29 MET QB 47 no 45.0 100.0 0.014 0.014 0.000 5 0 no 0.000 0 0
1 29 MET QG 180 no 60.0 100.0 0.458 0.458 0.000 3 1 no 0.000 0 0
1 31 LEU QB 46 no 40.0 100.0 0.003 0.003 0.000 5 0 no 0.000 0 0
1 31 LEU QD 19 no 100.0 100.0 1.759 1.759 0.000 7 2 no 0.000 0 0
1 33 MET QB 21 no 100.0 100.0 0.387 0.387 0.000 6 0 no 0.000 0 0
1 33 MET QG 214 no 80.0 100.0 0.466 0.466 0.000 2 1 no 0.000 0 0
1 34 LYS QB 45 no 100.0 100.0 0.137 0.137 0.000 5 0 no 0.000 0 0
1 34 LYS QD 179 no 90.0 100.0 0.920 0.920 0.000 3 1 no 0.000 0 0
1 34 LYS QE 232 no 45.0 100.0 0.147 0.147 0.000 1 0 no 0.000 0 0
1 34 LYS QG 153 no 100.0 100.0 0.273 0.273 0.000 3 0 no 0.000 0 0
1 35 GLY QA 44 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 36 LEU QB 67 no 100.0 100.0 0.779 0.779 0.000 5 1 no 0.000 0 0
1 36 LEU QD 43 no 100.0 100.0 0.445 0.445 0.000 5 0 no 0.000 0 0
1 37 GLY QA 31 no 100.0 100.0 0.456 0.456 0.000 6 1 no 0.000 0 0
1 38 PHE QB 30 no 100.0 100.0 0.253 0.253 0.000 6 1 no 0.000 0 0
1 39 GLY QA 66 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 40 ASP QB 65 no 100.0 100.0 1.170 1.170 0.000 5 1 no 0.000 0 0
1 41 LEU QB 124 no 100.0 100.0 0.077 0.077 0.000 4 2 no 0.000 0 0
1 41 LEU QD 178 no 100.0 100.0 0.155 0.155 0.000 3 1 no 0.000 0 0
1 42 PRO QB 42 no 100.0 100.0 0.763 0.763 0.000 5 0 no 0.000 0 0
1 42 PRO QD 231 no 100.0 100.0 0.075 0.075 0.000 1 0 no 0.000 0 0
1 42 PRO QG 152 no 100.0 100.0 0.713 0.713 0.000 3 0 no 0.000 0 0
1 43 ARG QB 206 no 100.0 100.0 0.223 0.223 0.000 2 0 no 0.000 0 0
1 43 ARG QD 177 no 100.0 100.0 0.843 0.843 0.000 3 1 no 0.000 0 0
1 43 ARG QG 151 no 100.0 100.0 0.620 0.620 0.000 3 0 no 0.000 0 0
1 44 ASP QB 150 no 100.0 100.0 0.457 0.457 0.000 3 0 no 0.000 0 0
1 45 GLU QB 118 no 40.0 100.0 0.005 0.005 0.000 4 1 no 0.000 0 0
1 45 GLU QG 149 no 100.0 100.0 1.655 1.655 0.000 3 0 no 0.000 0 0
1 46 VAL QG 5 no 100.0 100.0 0.869 0.869 0.000 8 2 no 0.000 0 0
1 47 GLU QB 102 no 100.0 100.0 0.007 0.007 0.000 4 0 no 0.000 0 0
1 47 GLU QG 64 no 100.0 100.0 0.458 0.458 0.000 5 1 no 0.000 0 0
1 48 ARG QB 101 no 100.0 100.0 0.120 0.120 0.000 4 0 no 0.000 0 0
1 48 ARG QD 205 no 65.0 100.0 0.125 0.125 0.000 2 0 no 0.000 0 0
1 48 ARG QG 100 no 80.0 100.0 0.572 0.572 0.000 4 0 no 0.000 0 0
1 50 VAL QG 4 no 100.0 100.0 0.195 0.195 0.000 8 1 no 0.000 0 0
1 51 ARG QB 41 no 100.0 100.0 0.106 0.106 0.000 5 0 no 0.000 0 0
1 51 ARG QD 204 no 85.0 100.0 1.058 1.058 0.000 2 0 no 0.000 0 0
1 51 ARG QG 203 no 60.0 100.0 0.005 0.005 0.000 2 0 no 0.000 0 0
1 52 SER QB 148 no 90.0 100.0 0.113 0.113 0.000 3 0 no 0.000 0 0
1 53 MET QB 99 no 100.0 100.0 1.008 1.008 0.000 4 0 no 0.000 0 0
1 53 MET QG 123 no 100.0 100.0 0.747 0.747 0.000 4 2 no 0.000 0 0
1 54 ASN QB 29 no 100.0 100.0 0.777 0.777 0.000 6 1 no 0.000 0 0
1 54 ASN QD 230 no 25.0 100.0 0.493 0.493 0.000 1 0 no 0.000 0 0
1 56 ASN QB 63 no 10.0 100.0 0.148 0.148 0.000 5 1 no 0.000 0 0
1 58 ASN QB 12 no 100.0 100.0 1.606 1.606 0.000 7 1 no 0.000 0 0
1 59 GLY QA 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 60 LEU QB 176 no 100.0 100.0 1.530 1.530 0.000 3 1 no 0.000 0 0
1 60 LEU QD 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 61 ILE QG 175 no 100.0 100.0 1.102 1.102 0.000 3 1 no 0.000 0 0
1 62 GLU QB 11 no 100.0 100.0 0.279 0.279 0.000 7 1 no 0.000 0 0
1 62 GLU QG 174 no 95.0 100.0 0.606 0.606 0.000 3 1 no 0.000 0 0
1 63 TYR QB 117 no 100.0 100.0 0.130 0.130 0.000 4 1 no 0.001 0 0
1 64 GLY QA 3 no 100.0 100.0 0.212 0.212 0.000 8 1 no 0.000 0 0
1 65 GLU QB 96 no 100.0 100.0 0.164 0.164 0.000 4 0 no 0.000 0 0
1 65 GLU QG 62 no 100.0 100.0 2.966 2.966 0.000 5 1 no 0.000 0 0
1 66 PHE QB 61 no 100.0 100.0 1.585 1.585 0.000 5 1 no 0.000 0 0
1 66 PHE QE 236 no 85.0 100.0 12.014 12.014 0.000 1 1 no 0.002 0 0
1 67 GLU QB 147 no 100.0 100.0 0.049 0.049 0.000 3 0 no 0.000 0 0
1 67 GLU QG 173 no 35.0 100.0 0.001 0.001 0.000 3 1 no 0.000 0 0
1 68 ARG QB 95 no 100.0 100.0 0.174 0.174 0.000 4 0 no 0.000 0 0
1 68 ARG QD 202 no 45.0 100.0 0.024 0.024 0.000 2 0 no 0.000 0 0
1 68 ARG QG 116 no 65.0 100.0 0.370 0.370 0.000 4 1 no 0.000 0 0
1 69 MET QB 28 no 100.0 100.0 1.126 1.126 0.000 6 1 no 0.000 0 0
1 69 MET QG 81 no 100.0 100.0 3.583 3.583 0.000 5 2 no 0.000 0 0
1 70 VAL QG 18 no 100.0 100.0 4.013 4.013 0.000 7 2 no 0.000 0 0
1 71 LYS QB 94 no 65.0 100.0 0.013 0.013 0.000 4 0 no 0.000 0 0
1 71 LYS QD 201 no 100.0 100.0 1.489 1.489 0.000 2 0 no 0.000 0 0
1 71 LYS QE 172 no 100.0 100.0 1.423 1.423 0.000 3 1 no 0.000 0 0
1 71 LYS QG 146 no 100.0 100.0 0.218 0.218 0.000 3 0 no 0.000 0 0
1 72 SER QB 93 no 65.0 100.0 0.078 0.078 0.000 4 0 no 0.000 0 0
1 73 ARG QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 ARG QD 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 ARG QG 60 no 100.0 100.0 2.210 2.210 0.000 5 1 no 0.000 0 0
1 74 MET QB 40 no 100.0 100.0 0.473 0.473 0.000 5 0 no 0.000 0 0
1 74 MET QG 80 no 100.0 100.0 0.822 0.822 0.000 5 2 no 0.000 0 0
1 76 GLN QB 79 no 100.0 100.0 0.160 0.160 0.000 5 2 no 0.000 0 0
1 76 GLN QE 216 no 15.0 100.0 0.002 0.002 0.000 2 2 no 0.000 0 0
1 76 GLN QG 171 no 60.0 100.0 0.258 0.258 0.000 3 1 no 0.000 0 0
1 77 LYS QB 145 no 90.0 100.0 0.154 0.154 0.000 3 0 no 0.000 0 0
1 77 LYS QD 198 no 80.0 100.0 0.354 0.354 0.000 2 0 no 0.000 0 0
1 77 LYS QE 229 no 5.0 100.0 0.005 0.005 0.000 1 0 no 0.000 0 0
1 77 LYS QG 92 no 95.0 100.0 0.492 0.492 0.000 4 0 no 0.000 0 0
1 78 ASP QB 170 no 30.0 100.0 0.001 0.001 0.000 3 1 no 0.000 0 0
1 79 SER QB 78 no 100.0 100.0 0.509 0.509 0.000 5 2 no 0.000 0 0
1 80 PRO QB 197 no 45.0 100.0 0.031 0.031 0.000 2 0 no 0.000 0 0
1 80 PRO QD 196 no 100.0 100.0 0.057 0.057 0.000 2 0 no 0.000 0 0
1 80 PRO QG 228 no 100.0 100.0 0.298 0.298 0.000 1 0 no 0.000 0 0
1 81 GLU QB 144 no 90.0 100.0 0.028 0.028 0.000 3 0 no 0.000 0 0
1 81 GLU QG 195 no 65.0 100.0 0.200 0.200 0.000 2 0 no 0.000 0 0
1 82 GLU QB 59 no 85.0 100.0 0.055 0.055 0.000 5 1 no 0.000 0 0
1 82 GLU QG 122 no 100.0 100.0 1.449 1.449 0.000 4 2 no 0.000 0 0
1 83 VAL QG 91 no 100.0 100.0 0.144 0.144 0.000 4 0 no 0.000 0 0
1 84 LEU QB 90 no 100.0 100.0 0.230 0.230 0.000 4 0 no 0.000 0 0
1 84 LEU QD 27 no 100.0 100.0 0.318 0.318 0.000 6 1 no 0.000 0 0
1 85 LYS QB 89 no 100.0 100.0 0.090 0.090 0.000 4 0 no 0.000 0 0
1 85 LYS QD 169 no 100.0 100.0 0.760 0.760 0.000 3 1 no 0.000 0 0
1 85 LYS QE 168 no 80.0 100.0 0.082 0.082 0.000 3 1 no 0.000 0 0
1 85 LYS QG 115 no 100.0 100.0 0.923 0.923 0.000 4 1 no 0.000 0 0
1 87 PHE QB 58 no 95.0 100.0 0.166 0.166 0.000 5 1 no 0.001 0 0
1 88 GLN QB 143 no 65.0 100.0 0.031 0.031 0.000 3 0 no 0.000 0 0
1 88 GLN QG 142 no 70.0 100.0 0.316 0.316 0.000 3 0 no 0.000 0 0
1 89 LEU QB 17 no 100.0 100.0 0.802 0.802 0.000 7 2 no 0.000 0 0
1 89 LEU QD 141 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 90 PHE QB 88 no 40.0 100.0 0.002 0.002 0.000 4 0 no 0.000 0 0
1 91 ASP QB 26 no 65.0 100.0 0.371 0.371 0.000 6 1 no 0.000 0 0
1 92 LEU QB 140 no 100.0 100.0 0.076 0.076 0.000 3 0 no 0.000 0 0
1 92 LEU QD 139 no 100.0 100.0 0.360 0.360 0.000 3 0 no 0.000 0 0
1 93 ASP QB 57 no 100.0 100.0 0.283 0.283 0.000 5 1 no 0.000 0 0
1 94 LYS QB 114 no 80.0 100.0 0.168 0.168 0.000 4 1 no 0.000 0 0
1 94 LYS QD 227 no 95.0 100.0 0.093 0.093 0.000 1 0 no 0.000 0 0
1 94 LYS QE 226 no 70.0 100.0 0.273 0.273 0.000 1 0 no 0.000 0 0
1 94 LYS QG 194 no 100.0 100.0 0.291 0.291 0.000 2 0 no 0.000 0 0
1 95 LYS QB 113 no 100.0 100.0 0.658 0.658 0.000 4 1 no 0.000 0 0
1 95 LYS QD 77 no 85.0 100.0 0.503 0.503 0.000 5 2 no 0.000 0 0
1 95 LYS QE 225 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 95 LYS QG 112 no 100.0 100.0 0.349 0.349 0.000 4 1 no 0.000 0 0
1 96 GLY QA 25 no 10.0 100.0 0.002 0.002 0.000 6 1 no 0.000 0 0
1 97 LYS QB 167 no 100.0 100.0 0.804 0.804 0.000 3 1 no 0.000 0 0
1 97 LYS QD 224 no 20.0 100.0 0.012 0.012 0.000 1 0 no 0.000 0 0
1 97 LYS QE 223 no 55.0 100.0 0.382 0.382 0.000 1 0 no 0.000 0 0
1 97 LYS QG 193 no 45.0 100.0 0.031 0.031 0.000 2 0 no 0.000 0 0
1 98 ILE QG 166 no 100.0 100.0 0.536 0.536 0.000 3 1 no 0.000 0 0
1 99 SER QB 2 no 95.0 100.0 0.250 0.250 0.000 8 0 no 0.000 0 0
1 100 PHE QB 10 no 100.0 100.0 1.264 1.264 0.000 7 1 no 0.000 0 0
1 102 ASN QB 39 no 100.0 100.0 0.255 0.255 0.000 5 0 no 0.000 0 0
1 103 LEU QB 192 no 90.0 100.0 0.136 0.136 0.000 2 0 no 0.000 0 0
1 103 LEU QD 111 no 100.0 100.0 1.426 1.426 0.000 4 1 no 0.000 0 0
1 104 LYS QB 87 no 100.0 100.0 0.083 0.083 0.000 4 0 no 0.000 0 0
1 104 LYS QD 165 no 95.0 100.0 0.903 0.903 0.000 3 1 no 0.000 0 0
1 104 LYS QE 191 no 75.0 100.0 0.237 0.237 0.000 2 0 no 0.000 0 0
1 104 LYS QG 56 no 100.0 100.0 1.155 1.155 0.000 5 1 no 0.000 0 0
1 105 GLU QB 138 no 100.0 100.0 0.105 0.105 0.000 3 0 no 0.000 0 0
1 105 GLU QG 110 no 75.0 100.0 0.182 0.182 0.000 4 1 no 0.000 0 0
1 106 VAL QG 9 no 100.0 100.0 1.684 1.684 0.000 7 1 no 0.000 0 0
1 108 LYS QB 137 no 85.0 100.0 0.012 0.012 0.000 3 0 no 0.000 0 0
1 108 LYS QD 136 no 90.0 100.0 0.078 0.078 0.000 3 0 no 0.000 0 0
1 108 LYS QE 222 no 45.0 100.0 0.074 0.074 0.000 1 0 no 0.000 0 0
1 108 LYS QG 164 no 100.0 100.0 0.214 0.214 0.000 3 1 no 0.000 0 0
1 109 LEU QB 55 no 100.0 100.0 0.525 0.525 0.000 5 1 no 0.000 0 0
1 109 LEU QD 135 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 110 LEU QB 35 no 100.0 100.0 0.414 0.414 0.000 6 2 no 0.000 0 0
1 110 LEU QD 109 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 111 GLY QA 86 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 GLU QB 34 no 40.0 100.0 0.023 0.023 0.000 6 2 no 0.000 0 0
1 112 GLU QG 125 no 100.0 100.0 0.692 0.692 0.000 4 3 no 0.000 0 0
1 113 ASN QB 190 no 40.0 100.0 0.012 0.012 0.000 2 0 no 0.000 0 0
1 114 PRO QB 213 no 100.0 100.0 0.441 0.441 0.000 2 1 no 0.000 0 0
1 114 PRO QD 235 no 100.0 100.0 1.304 1.304 0.000 1 1 no 0.000 0 0
1 114 PRO QG 189 no 100.0 100.0 0.484 0.484 0.000 2 0 no 0.000 0 0
1 115 GLY QA 7 no 100.0 100.0 0.062 0.062 0.000 7 0 no 0.000 0 0
1 116 ASP QB 85 no 65.0 100.0 0.016 0.016 0.000 4 0 no 0.000 0 0
1 117 ASP QB 163 no 80.0 100.0 0.199 0.199 0.000 3 1 no 0.000 0 0
1 118 VAL QG 16 no 100.0 100.0 1.710 1.710 0.000 7 2 no 0.000 0 0
1 119 LEU QB 134 no 40.0 100.0 0.001 0.001 0.000 3 0 no 0.000 0 0
1 119 LEU QD 33 no 100.0 100.0 1.297 1.297 0.000 6 2 no 0.000 0 0
1 120 GLN QB 133 no 100.0 100.0 0.246 0.246 0.000 3 0 no 0.000 0 0
1 120 GLN QG 188 no 100.0 99.9 1.004 1.005 0.001 2 0 no 0.026 0 0
1 121 GLU QB 54 no 100.0 100.0 1.061 1.061 0.000 5 1 no 0.000 0 0
1 121 GLU QG 162 no 40.0 100.0 0.168 0.168 0.000 3 1 no 0.000 0 0
1 122 MET QB 132 no 100.0 100.0 0.075 0.075 0.000 3 0 no 0.000 0 0
1 122 MET QG 131 no 5.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 123 ILE QG 212 no 100.0 100.0 0.112 0.112 0.000 2 1 no 0.000 0 0
1 125 GLU QB 161 no 100.0 100.0 0.093 0.093 0.000 3 1 no 0.000 0 0
1 125 GLU QG 211 no 75.0 100.0 0.097 0.097 0.000 2 1 no 0.000 0 0
1 127 ASP QB 15 no 100.0 100.0 0.129 0.129 0.000 7 2 no 0.000 0 0
1 128 GLU QB 187 no 10.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
1 128 GLU QG 186 no 10.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 129 ASP QB 76 no 75.0 100.0 0.019 0.019 0.000 5 2 no 0.000 0 0
1 130 GLY QA 53 no 100.0 100.0 0.526 0.526 0.000 5 1 no 0.000 0 0
1 131 ASP QB 185 no 10.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 GLY QA 52 no 100.0 100.0 0.735 0.735 0.000 5 1 no 0.000 0 0
1 133 GLU QB 32 no 100.0 100.0 3.644 3.644 0.000 6 2 no 0.000 0 0
1 133 GLU QG 184 no 100.0 100.0 0.935 0.935 0.000 2 0 no 0.000 0 0
1 134 VAL QG 6 no 100.0 100.0 3.322 3.322 0.000 8 3 no 0.000 0 0
1 135 SER QB 1 no 100.0 100.0 0.979 0.979 0.000 9 5 no 0.000 0 0
1 136 PHE QB 51 no 100.0 100.0 0.427 0.427 0.000 5 1 no 0.000 0 0
1 137 GLU QB 75 no 70.0 100.0 0.027 0.027 0.000 5 2 no 0.000 0 0
1 137 GLU QG 108 no 100.0 100.0 1.000 1.000 0.000 4 1 no 0.000 0 0
1 138 GLU QB 130 no 5.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 138 GLU QG 160 no 100.0 100.0 0.378 0.378 0.000 3 1 no 0.000 0 0
1 139 PHE QB 38 no 65.0 100.0 0.030 0.030 0.000 5 0 no 0.000 0 0
1 139 PHE QE 221 no 90.0 100.0 3.122 3.122 0.000 1 0 no 0.000 0 0
1 140 LYS QB 84 no 95.0 100.0 0.108 0.108 0.000 4 0 no 0.000 0 0
1 140 LYS QD 129 no 95.0 100.0 0.658 0.658 0.000 3 0 no 0.000 0 0
1 140 LYS QE 183 no 80.0 100.0 0.863 0.863 0.000 2 0 no 0.000 0 0
1 140 LYS QG 74 no 100.0 100.0 1.689 1.689 0.000 5 2 no 0.000 0 0
1 141 SER QB 37 no 5.0 100.0 0.001 0.001 0.000 5 0 no 0.000 0 0
1 142 VAL QG 14 no 100.0 100.0 1.370 1.370 0.000 7 2 no 0.000 0 0
1 143 MET QB 83 no 75.0 100.0 0.071 0.071 0.000 4 0 no 0.000 0 0
1 143 MET QG 107 no 60.0 100.0 0.384 0.384 0.000 4 1 no 0.000 0 0
1 144 MET QB 50 no 100.0 100.0 0.694 0.694 0.000 5 1 no 0.000 0 0
1 144 MET QG 128 no 65.0 100.0 0.378 0.378 0.000 3 0 no 0.000 0 0
1 145 GLN QB 127 no 100.0 100.0 0.083 0.083 0.000 3 0 no 0.000 0 0
1 145 GLN QG 159 no 90.0 100.0 0.548 0.548 0.000 3 1 no 0.000 0 0
1 146 MET QB 49 no 95.0 100.0 0.102 0.102 0.000 5 1 no 0.000 0 0
1 146 MET QG 182 no 25.0 100.0 0.023 0.023 0.000 2 0 no 0.000 0 0
1 147 ARG QB 126 no 100.0 100.0 0.637 0.637 0.000 3 0 no 0.000 0 0
1 147 ARG QD 220 no 35.0 100.0 0.007 0.007 0.000 1 0 no 0.000 0 0
1 147 ARG QG 158 no 55.0 100.0 0.084 0.084 0.000 3 1 no 0.000 0 0
1 148 GLY QA 82 no 100.0 100.0 0.066 0.066 0.000 4 0 no 0.000 0 0
1 149 LYS QB 219 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 149 LYS QD 218 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 149 LYS QE 217 no 45.0 100.0 0.081 0.081 0.000 1 0 no 0.000 0 0
1 149 LYS QG 157 no 100.0 100.0 1.161 1.161 0.000 3 1 no 0.000 0 0
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