NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445610 |
2kk0   |
16348 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kk0
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 214
_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 0.114
_Stereo_assign_list.Total_e_high_states 374.681
_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 10 HIS QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 MET QB 197 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 11 MET QG 167 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 12 PRO QB 191 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 12 PRO QD 156 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.038 0 0
1 12 PRO QG 122 no 30.0 99.6 0.056 0.056 0.000 10 0 no 0.045 0 0
1 13 ASP QB 190 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 15 GLY QA 103 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.030 0 0
1 16 ASP QB 189 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 LYS QG 194 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 25 GLN QB 90 no 100.0 100.0 1.057 1.057 0.000 14 8 no 0.079 0 0
1 25 GLN QE 111 no 100.0 100.0 0.000 0.000 0.000 12 6 no 0.008 0 0
1 25 GLN QG 108 no 55.0 100.0 0.139 0.139 0.000 12 4 no 0.000 0 0
1 26 LEU QB 196 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 26 LEU QD 15 no 100.0 100.0 5.577 5.578 0.001 50 16 no 0.053 0 0
1 27 TYR QB 62 no 80.0 100.0 0.170 0.170 0.000 19 9 no 0.000 0 0
1 28 GLU QB 166 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.019 0 0
1 28 GLU QG 66 no 100.0 100.0 0.458 0.458 0.000 18 7 no 0.000 0 0
1 29 LEU QB 86 no 100.0 100.0 0.433 0.434 0.000 14 6 no 0.034 0 0
1 29 LEU QD 14 no 100.0 100.0 13.813 13.815 0.002 51 23 no 0.086 0 0
1 30 ASP QB 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 32 ASP QB 133 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.007 0 0
1 33 PRO QB 139 no 55.0 100.0 0.196 0.196 0.000 9 0 no 0.000 0 0
1 33 PRO QD 155 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 33 PRO QG 142 no 100.0 100.0 1.272 1.272 0.000 9 2 no 0.000 0 0
1 34 LYS QB 138 no 100.0 99.9 0.116 0.116 0.000 9 0 no 0.036 0 0
1 34 LYS QD 187 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.141 0 0
1 34 LYS QE 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 LYS QG 146 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.059 0 0
1 35 ARG QB 165 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 35 ARG QG 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 36 LYS QB 59 no 100.0 99.9 0.663 0.663 0.000 19 3 no 0.083 0 0
1 36 LYS QD 154 no 100.0 0.0 0.000 0.005 0.005 8 4 no 0.129 0 0
1 36 LYS QE 173 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.040 0 0
1 36 LYS QG 68 no 100.0 99.5 0.233 0.234 0.001 17 1 no 0.090 0 0
1 37 GLU QB 175 no 100.0 100.0 0.420 0.420 0.000 5 1 no 0.000 0 0
1 37 GLU QG 89 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.040 0 0
1 38 PHE QB 121 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 39 LEU QB 132 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 39 LEU QD 3 no 100.0 100.0 8.958 8.958 0.000 71 27 no 0.043 0 0
1 40 ASP QB 92 no 100.0 100.0 0.232 0.232 0.000 13 2 no 0.005 0 0
1 41 ASP QB 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 42 LEU QB 97 no 100.0 0.0 0.000 0.000 0.000 13 5 no 0.000 0 0
1 42 LEU QD 11 no 100.0 100.0 11.167 11.167 0.000 57 19 no 0.000 0 0
1 43 PHE QB 118 no 100.0 100.0 0.729 0.729 0.000 11 5 no 0.000 0 0
1 44 SER QB 174 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 45 PHE QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 MET QB 74 no 95.0 99.3 0.348 0.350 0.002 16 3 no 0.091 0 0
1 46 MET QG 43 no 95.0 100.0 0.327 0.327 0.000 22 6 no 0.019 0 0
1 47 GLN QB 76 no 100.0 100.0 0.132 0.132 0.000 16 7 no 0.000 0 0
1 47 GLN QE 214 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 47 GLN QG 60 no 100.0 100.0 3.206 3.207 0.001 19 4 no 0.086 0 0
1 48 LYS QB 117 no 100.0 100.0 0.522 0.522 0.000 11 5 no 0.000 0 0
1 48 LYS QD 85 no 100.0 100.0 0.530 0.530 0.000 14 6 no 0.000 0 0
1 48 LYS QE 213 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 48 LYS QG 82 no 75.0 99.9 0.069 0.069 0.000 15 5 no 0.034 0 0
1 49 ARG QB 101 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.001 0 0
1 49 ARG QD 120 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 49 ARG QG 100 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.008 0 0
1 50 GLY QA 131 no 80.0 100.0 0.102 0.102 0.000 10 4 no 0.000 0 0
1 52 PRO QB 141 no 100.0 100.0 0.900 0.900 0.000 9 2 no 0.038 0 0
1 52 PRO QD 83 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.086 0 0
1 52 PRO QG 212 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 53 VAL QG 19 no 100.0 100.0 12.470 12.470 0.000 44 13 no 0.048 0 0
1 54 ASN QB 157 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 54 ASN QD 195 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 55 ARG QD 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 55 ARG QG 153 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 57 PRO QD 72 no 85.0 100.0 0.352 0.352 0.000 17 10 no 0.011 0 0
1 57 PRO QG 134 no 100.0 99.9 0.700 0.701 0.001 10 5 no 0.084 0 0
1 58 ILE QG 193 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 59 MET QB 113 no 70.0 100.0 0.138 0.138 0.000 12 7 no 0.014 0 0
1 59 MET QG 37 no 100.0 99.9 1.246 1.247 0.001 23 8 no 0.104 0 0
1 61 LYS QB 152 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 61 LYS QE 107 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.024 0 0
1 62 GLN QB 143 no 10.0 90.5 0.000 0.000 0.000 9 3 no 0.027 0 0
1 62 GLN QG 145 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 63 VAL QG 13 no 100.0 100.0 4.250 4.251 0.001 51 17 no 0.079 0 0
1 64 LEU QB 88 no 100.0 100.0 0.594 0.594 0.000 14 8 no 0.000 0 0
1 64 LEU QD 12 no 100.0 100.0 25.559 25.560 0.001 57 22 no 0.074 0 0
1 65 ASP QB 91 no 0.0 0.0 0.000 0.001 0.001 14 10 no 0.086 0 0
1 66 LEU QB 136 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 66 LEU QD 10 no 100.0 100.0 11.352 11.352 0.000 58 25 no 0.030 0 0
1 67 PHE QB 77 no 100.0 100.0 0.710 0.710 0.000 16 8 no 0.019 0 0
1 68 MET QB 96 no 100.0 100.0 0.383 0.383 0.000 13 5 no 0.000 0 0
1 68 MET QG 27 no 100.0 99.7 1.091 1.094 0.003 26 11 no 0.111 0 0
1 69 LEU QB 34 no 95.0 100.0 0.062 0.062 0.000 24 13 no 0.000 0 0
1 69 LEU QD 9 no 100.0 100.0 18.753 18.757 0.004 59 22 no 0.111 0 0
1 70 TYR QB 106 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 71 VAL QG 17 no 100.0 100.0 24.168 24.168 0.000 48 15 no 0.000 0 0
1 72 LEU QB 63 no 100.0 100.0 0.724 0.724 0.000 18 3 no 0.000 0 0
1 72 LEU QD 22 no 100.0 100.0 9.820 9.821 0.001 34 15 no 0.073 0 0
1 73 VAL QG 4 no 100.0 100.0 27.426 27.426 0.000 70 23 no 0.024 0 0
1 75 GLU QB 38 no 100.0 100.0 2.623 2.624 0.001 23 9 no 0.073 0 0
1 75 GLU QG 39 no 100.0 100.0 0.180 0.181 0.000 23 12 no 0.030 0 0
1 76 LYS QB 35 no 100.0 100.0 0.625 0.625 0.000 24 14 no 0.041 0 0
1 76 LYS QD 71 no 75.0 99.9 0.307 0.307 0.000 17 10 no 0.048 0 0
1 76 LYS QE 78 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.027 0 0
1 76 LYS QG 28 no 100.0 100.0 1.895 1.895 0.000 26 12 no 0.004 0 0
1 77 GLY QA 119 no 95.0 100.0 0.752 0.752 0.000 11 9 no 0.000 0 0
1 78 GLY QA 114 no 100.0 100.0 0.247 0.247 0.000 12 8 no 0.000 0 0
1 79 LEU QB 112 no 100.0 100.0 1.239 1.239 0.000 12 7 no 0.000 0 0
1 79 LEU QD 8 no 100.0 100.0 20.840 20.840 0.000 60 22 no 0.050 0 0
1 80 VAL QG 6 no 100.0 100.0 16.513 16.519 0.006 61 24 no 0.135 0 0
1 81 GLU QB 98 no 100.0 100.0 0.344 0.344 0.000 13 6 no 0.000 0 0
1 81 GLU QG 87 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.096 0 0
1 82 VAL QG 1 no 100.0 100.0 18.789 18.789 0.000 85 27 no 0.024 0 0
1 83 ILE QG 23 no 95.0 100.0 0.300 0.300 0.000 33 12 no 0.024 0 0
1 84 ASN QB 53 no 60.0 100.0 0.165 0.165 0.000 20 8 no 0.000 0 0
1 84 ASN QD 52 no 100.0 99.9 0.377 0.377 0.000 20 7 no 0.052 0 0
1 85 LYS QB 84 no 100.0 0.0 0.000 0.001 0.001 14 6 no 0.063 0 0
1 85 LYS QD 109 no 100.0 100.0 0.409 0.409 0.000 12 5 no 0.032 0 0
1 85 LYS QE 192 no 0.0 0.0 0.000 0.002 0.002 4 2 no 0.111 0 0
1 85 LYS QG 61 no 95.0 99.2 0.336 0.339 0.003 19 8 no 0.111 0 0
1 86 LYS QB 151 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 86 LYS QD 130 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.078 0 0
1 86 LYS QE 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 86 LYS QG 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 LEU QB 29 no 100.0 99.5 0.529 0.531 0.003 26 13 no 0.111 0 0
1 87 LEU QD 7 no 100.0 99.9 9.505 9.512 0.007 61 26 no 0.118 0 0
1 88 TRP QB 80 no 55.0 99.7 0.260 0.261 0.001 15 4 no 0.082 0 0
1 89 ARG QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 ARG QG 164 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.082 0 0
1 90 GLU QB 150 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.026 0 0
1 90 GLU QG 172 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.078 0 0
1 91 ILE QG 26 no 100.0 100.0 0.603 0.603 0.000 27 10 no 0.037 0 0
1 93 LYS QB 33 no 90.0 100.0 0.168 0.168 0.000 24 9 no 0.019 0 0
1 93 LYS QD 129 no 100.0 0.0 0.000 0.003 0.003 10 4 no 0.248 0 0
1 93 LYS QE 211 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 93 LYS QG 125 no 30.0 100.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 94 GLY QA 58 no 100.0 99.7 0.213 0.213 0.001 20 11 no 0.087 0 0
1 95 LEU QB 55 no 100.0 99.9 0.928 0.929 0.001 20 10 no 0.045 0 0
1 95 LEU QD 16 no 100.0 100.0 15.241 15.242 0.001 49 26 no 0.063 0 0
1 96 ASN QB 54 no 100.0 100.0 0.032 0.032 0.000 20 10 no 0.000 0 0
1 96 ASN QD 158 no 100.0 100.0 1.173 1.173 0.000 7 2 no 0.027 0 0
1 97 LEU QB 31 no 100.0 99.9 1.248 1.248 0.001 25 12 no 0.059 0 0
1 97 LEU QD 21 no 100.0 100.0 12.708 12.714 0.005 42 18 no 0.095 0 0
1 98 PRO QB 116 no 95.0 99.9 0.130 0.130 0.000 11 2 no 0.049 0 0
1 98 PRO QD 57 no 100.0 99.9 1.546 1.548 0.002 20 11 no 0.072 0 0
1 98 PRO QG 79 no 100.0 100.0 1.810 1.810 0.000 15 3 no 0.076 0 0
1 100 SER QB 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 101 ILE QG 47 no 100.0 99.8 0.747 0.749 0.002 21 8 no 0.104 0 0
1 103 SER QB 171 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.023 0 0
1 106 PHE QB 149 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.023 0 0
1 108 LEU QB 94 no 100.0 100.0 0.045 0.045 0.000 13 3 no 0.000 0 0
1 108 LEU QD 18 no 100.0 100.0 15.401 15.401 0.001 46 8 no 0.040 0 0
1 109 ARG QB 50 no 95.0 99.8 0.850 0.851 0.002 20 3 no 0.081 0 0
1 109 ARG QD 102 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 109 ARG QG 124 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.011 0 0
1 111 GLN QB 169 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 111 GLN QE 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.020 0 0
1 111 GLN QG 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 TYR QB 56 no 30.0 100.0 0.005 0.005 0.000 20 11 no 0.000 0 0
1 113 MET QB 81 no 45.0 100.0 0.012 0.012 0.000 15 5 no 0.000 0 0
1 113 MET QG 46 no 100.0 100.0 2.083 2.083 0.001 21 6 no 0.050 0 0
1 114 LYS QB 45 no 100.0 100.0 0.258 0.258 0.000 22 9 no 0.018 0 0
1 114 LYS QD 65 no 40.0 99.9 0.079 0.079 0.000 18 6 no 0.024 0 0
1 114 LYS QE 67 no 100.0 89.9 0.000 0.000 0.000 18 10 no 0.032 0 0
1 114 LYS QG 69 no 100.0 100.0 0.007 0.007 0.000 17 4 no 0.000 0 0
1 115 TYR QB 30 no 90.0 100.0 0.153 0.153 0.000 26 14 no 0.000 0 0
1 116 LEU QB 95 no 100.0 100.0 0.470 0.470 0.000 13 4 no 0.000 0 0
1 116 LEU QD 2 no 100.0 100.0 18.751 18.751 0.000 71 25 no 0.036 0 0
1 117 TYR QB 163 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.030 0 0
1 118 PRO QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 118 PRO QD 115 no 60.0 99.5 0.160 0.161 0.001 11 1 no 0.072 0 0
1 118 PRO QG 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 119 TYR QB 168 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 120 GLU QG 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 121 CYS QB 162 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 122 GLU QB 64 no 10.0 99.5 0.008 0.008 0.000 18 4 no 0.027 0 0
1 122 GLU QG 144 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 123 LYS QB 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.049 0 0
1 123 LYS QD 202 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.219 0 0
1 123 LYS QE 105 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.052 0 0
1 123 LYS QG 36 no 80.0 100.0 0.063 0.063 0.000 23 8 no 0.000 0 0
1 124 ARG QB 93 no 80.0 99.9 0.426 0.427 0.000 13 3 no 0.043 0 0
1 124 ARG QD 128 no 0.0 0.0 0.000 0.001 0.001 10 4 no 0.075 0 0
1 124 ARG QG 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 126 LEU QB 148 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 126 LEU QD 20 no 100.0 100.0 5.428 5.430 0.002 44 18 no 0.091 0 0
1 127 SER QB 135 no 100.0 0.0 0.000 0.006 0.006 10 6 no 0.135 0 0
1 128 ASN QB 32 no 100.0 98.2 0.059 0.061 0.001 25 18 no 0.111 0 0
1 128 ASN QD 49 no 100.0 99.3 1.263 1.272 0.009 21 13 no 0.119 0 0
1 129 PRO QB 127 no 100.0 100.0 0.075 0.075 0.000 10 4 no 0.018 0 0
1 129 PRO QD 99 no 100.0 100.0 1.573 1.574 0.000 13 7 no 0.057 0 0
1 129 PRO QG 110 no 100.0 99.9 0.441 0.442 0.001 12 6 no 0.111 0 0
1 130 ASN QB 40 no 60.0 97.5 0.007 0.008 0.000 23 13 no 0.061 0 0
1 130 ASN QD 159 no 75.0 98.9 0.019 0.019 0.000 7 3 no 0.061 0 0
1 131 GLU QB 48 no 100.0 99.7 1.673 1.679 0.006 21 12 no 0.110 0 0
1 131 GLU QG 24 no 100.0 99.8 1.606 1.609 0.002 31 17 no 0.093 0 0
1 132 LEU QB 51 no 100.0 100.0 0.295 0.295 0.000 20 7 no 0.002 0 0
1 132 LEU QD 5 no 100.0 100.0 15.462 15.462 0.000 64 24 no 0.015 0 0
1 133 GLN QB 73 no 100.0 100.0 0.772 0.772 0.000 16 3 no 0.000 0 0
1 133 GLN QE 44 no 5.0 97.0 0.014 0.015 0.000 22 7 no 0.073 0 0
1 133 GLN QG 75 no 100.0 100.0 1.125 1.125 0.000 16 4 no 0.027 0 0
1 136 ILE QG 42 no 100.0 99.7 0.039 0.039 0.000 22 4 no 0.047 0 0
1 137 ASP QB 41 no 100.0 97.9 0.145 0.148 0.003 22 1 no 0.134 0 0
1 138 SER QB 170 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 139 ASN QB 70 no 100.0 100.0 0.483 0.483 0.000 17 5 no 0.039 0 0
1 139 ASN QD 25 no 65.0 99.9 0.066 0.066 0.000 29 6 no 0.043 0 0
1 140 ARG QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 140 ARG QD 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 140 ARG QG 126 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.029 0 0
1 141 ARG QB 123 no 50.0 100.0 0.018 0.018 0.000 10 1 no 0.000 0 0
1 141 ARG QD 161 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.057 0 0
1 141 ARG QG 140 no 100.0 100.0 0.686 0.686 0.000 9 1 no 0.000 0 0
1 142 GLU QB 137 no 95.0 100.0 0.138 0.138 0.000 9 0 no 0.000 0 0
1 142 GLU QG 160 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 143 GLY QA 147 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 144 ARG QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 ARG QD 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 ARG QG 104 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.020 0 0
1 145 ARG QB 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 145 ARG QD 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
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