NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533992 |
2l3f   |
17191 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2l3f
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 219
_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 0.435
_Stereo_assign_list.Total_e_high_states 313.156
_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 QG 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 2 ILE QG 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 LYS QB 39 no 100.0 99.6 1.163 1.167 0.004 12 4 no 0.206 0 0
1 3 LYS QG 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 4 ARG QB 82 no 20.0 95.0 0.008 0.009 0.000 7 2 no 0.093 0 0
1 4 ARG QD 49 no 30.0 95.0 0.057 0.060 0.003 10 4 no 0.220 0 0
1 4 ARG QG 48 no 100.0 96.4 0.384 0.398 0.014 10 2 no 0.207 0 0
1 6 PHE QB 159 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 7 PRO QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 PRO QD 77 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 7 PRO QG 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 VAL QG 9 no 100.0 100.0 33.652 33.661 0.008 35 16 no 0.136 0 0
1 10 LEU QB 43 no 100.0 94.8 1.065 1.123 0.058 11 8 no 0.340 0 0
1 10 LEU QD 18 no 100.0 98.7 2.967 3.007 0.040 28 13 no 0.322 0 0
1 11 ASP QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 GLU QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 12 GLU QG 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 ASN QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 GLU QB 218 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 15 GLU QG 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 ILE QG 81 no 100.0 100.0 0.005 0.005 0.000 7 2 no 0.000 0 0
1 17 LEU QB 53 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 17 LEU QD 8 no 100.0 100.0 20.248 20.251 0.004 36 16 no 0.129 0 0
1 18 ILE QG 102 no 25.0 100.0 0.002 0.002 0.000 6 1 no 0.000 0 0
1 19 LEU QB 158 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 19 LEU QD 13 no 100.0 100.0 11.518 11.519 0.000 33 11 no 0.047 0 0
1 20 GLY QA 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 SER QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 22 LEU QB 26 no 75.0 100.0 0.311 0.311 0.000 15 6 no 0.010 0 0
1 22 LEU QD 3 no 100.0 100.0 11.850 11.852 0.002 46 19 no 0.117 0 0
1 23 PRO QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 PRO QD 78 no 100.0 100.0 0.357 0.357 0.000 8 5 no 0.012 0 0
1 24 SER QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 ASP QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 GLU QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 26 GLU QG 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 SER QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 28 ILE QG 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 29 ARG QB 109 no 100.0 100.0 0.850 0.850 0.000 6 2 no 0.069 0 0
1 29 ARG QD 157 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.100 0 0
1 29 ARG QG 99 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.157 0 0
1 30 LYS QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 30 LYS QD 76 no 0.0 0.0 0.000 0.001 0.001 8 4 no 0.098 0 0
1 30 LYS QG 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 GLN QE 47 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.038 0 0
1 31 GLN QG 70 no 100.0 100.0 2.512 2.512 0.000 8 2 no 0.047 0 0
1 33 TYR QB 217 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 35 GLY QA 57 no 40.0 98.5 0.037 0.037 0.001 9 4 no 0.061 0 0
1 36 ASN QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 PRO QD 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 PRO QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 40 ASP QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 41 PHE QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 TRP QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.028 0 0
1 43 ARG QB 101 no 90.0 99.8 0.292 0.293 0.001 6 1 no 0.103 0 0
1 44 LEU QB 113 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 44 LEU QD 17 no 100.0 100.0 7.900 7.902 0.002 28 13 no 0.105 0 0
1 45 VAL QG 12 no 100.0 100.0 8.864 8.864 0.000 33 5 no 0.000 0 0
1 46 GLY QA 108 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 47 HIS QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 49 ILE QG 45 no 100.0 100.0 1.588 1.589 0.000 10 1 no 0.083 0 0
1 51 GLU QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 GLU QG 189 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.068 0 0
1 52 ASN QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 ASN QD 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.054 0 0
1 53 LEU QB 156 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 53 LEU QD 15 no 100.0 100.0 7.755 7.755 0.000 30 7 no 0.010 0 0
1 54 GLN QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 GLN QG 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 55 ASP QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 56 MET QB 98 no 100.0 100.0 0.691 0.691 0.000 6 0 no 0.000 0 0
1 56 MET QG 64 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 58 TYR QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 59 GLU QB 83 no 35.0 100.0 0.018 0.018 0.000 7 3 no 0.000 0 0
1 59 GLU QG 41 no 100.0 99.7 1.720 1.725 0.005 11 3 no 0.199 0 0
1 60 LYS QB 63 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.049 0 0
1 60 LYS QG 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.025 0 0
1 61 LYS QD 96 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.099 0 0
1 61 LYS QE 185 no 100.0 0.0 0.000 0.006 0.006 2 0 no 0.209 0 0
1 62 LEU QB 50 no 85.0 99.8 0.101 0.102 0.000 10 5 no 0.048 0 0
1 62 LEU QD 10 no 100.0 99.8 7.342 7.357 0.015 35 17 no 0.213 0 0
1 63 LYS QB 141 no 100.0 100.0 0.341 0.341 0.000 4 0 no 0.000 0 0
1 63 LYS QD 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 LYS QG 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 LEU QB 24 no 100.0 100.0 0.304 0.304 0.000 18 6 no 0.000 0 0
1 65 LEU QD 22 no 100.0 100.0 3.983 3.983 0.001 21 6 no 0.075 0 0
1 66 LYS QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 LYS QD 75 no 100.0 0.0 0.000 0.007 0.007 8 4 no 0.213 0 0
1 66 LYS QE 80 no 100.0 0.0 0.000 0.001 0.001 8 6 no 0.098 0 0
1 66 LYS QG 69 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.055 0 0
1 67 HIS QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 68 ASN QB 68 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 68 ASN QD 62 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.150 0 0
1 69 ARG QD 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 GLY QA 59 no 100.0 99.3 1.413 1.422 0.009 9 7 no 0.197 0 0
1 72 LEU QB 155 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 72 LEU QD 11 no 100.0 99.9 9.431 9.437 0.006 34 14 no 0.154 0 0
1 73 TRP QB 74 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.016 0 0
1 74 ASP QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 VAL QG 5 no 100.0 100.0 8.434 8.435 0.001 40 9 no 0.106 0 0
1 76 PHE QB 216 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 77 LYS QB 112 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 77 LYS QE 52 no 100.0 0.0 0.000 0.018 0.018 10 6 no 0.313 0 0
1 77 LYS QG 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 79 GLY QA 111 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 80 SER QB 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.011 0 0
1 81 ARG QB 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 81 ARG QG 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 GLU QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 GLU QG 94 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.149 0 0
1 83 GLY QA 182 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.130 0 0
1 84 SER QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 GLN QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 ASP QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 SER QB 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 88 LYS QB 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.068 0 0
1 88 LYS QD 130 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.253 0 0
1 88 LYS QG 93 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.066 0 0
1 89 ILE QG 67 no 100.0 0.0 0.000 0.005 0.005 8 2 no 0.306 0 0
1 91 ASP QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.039 0 0
1 92 GLU QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 GLU QG 92 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 93 GLU QB 40 no 95.0 98.9 0.573 0.579 0.007 11 0 no 0.234 0 0
1 93 GLU QG 28 no 100.0 99.6 1.171 1.175 0.004 14 2 no 0.168 0 0
1 94 ILE QG 91 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.037 0 0
1 95 ASN QB 54 no 90.0 98.8 0.236 0.239 0.003 9 0 no 0.205 0 0
1 96 ASP QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 97 PHE QB 33 no 90.0 100.0 0.305 0.305 0.000 13 8 no 0.013 0 0
1 98 SER QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 GLY QA 215 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 100 LEU QB 25 no 100.0 99.9 1.168 1.169 0.001 16 8 no 0.118 0 0
1 100 LEU QD 4 no 100.0 99.9 20.128 20.151 0.023 44 17 no 0.230 0 0
1 101 LYS QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 LYS QE 107 no 100.0 0.0 0.000 0.007 0.007 6 2 no 0.172 0 0
1 101 LYS QG 38 no 100.0 99.7 0.703 0.704 0.002 12 3 no 0.116 0 0
1 102 GLU QB 71 no 100.0 100.0 1.523 1.523 0.000 8 3 no 0.000 0 0
1 102 GLU QG 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 MET QB 56 no 100.0 99.6 3.789 3.805 0.016 9 4 no 0.230 0 0
1 103 MET QG 23 no 100.0 99.9 1.843 1.844 0.001 20 7 no 0.068 0 0
1 104 VAL QG 1 no 100.0 99.9 40.707 40.762 0.054 57 25 no 0.340 0 0
1 105 PRO QD 37 no 55.0 100.0 0.003 0.003 0.000 12 3 no 0.000 0 0
1 105 PRO QG 214 no 100.0 0.0 0.000 0.001 0.001 2 2 no 0.114 0 0
1 106 LYS QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 LYS QD 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 106 LYS QE 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 LYS QG 32 no 100.0 98.3 0.564 0.574 0.010 13 2 no 0.192 0 0
1 107 LEU QB 51 no 100.0 0.0 0.000 0.001 0.001 10 6 no 0.083 0 0
1 107 LEU QD 6 no 100.0 100.0 11.947 11.947 0.000 40 21 no 0.039 0 0
1 108 ARG QG 106 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.026 0 0
1 109 LEU QB 110 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 109 LEU QD 16 no 100.0 100.0 19.789 19.793 0.004 29 11 no 0.161 0 0
1 110 ILE QG 154 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 111 CYS QB 35 no 100.0 100.0 0.309 0.309 0.000 12 2 no 0.036 0 0
1 113 ASN QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.078 0 0
1 114 GLY QA 219 no 35.0 100.0 0.066 0.066 0.000 1 0 no 0.000 0 0
1 115 ARG QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 ARG QD 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 ARG QG 90 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 116 LYS QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 116 LYS QE 89 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.157 0 0
1 116 LYS QG 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 GLY QA 213 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 119 GLU QB 88 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 119 GLU QG 61 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.066 0 0
1 120 TYR QB 30 no 100.0 100.0 0.440 0.440 0.000 14 7 no 0.000 0 0
1 121 GLU QB 153 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 121 GLU QG 44 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.108 0 0
1 122 PRO QB 105 no 85.0 93.1 0.066 0.071 0.005 6 2 no 0.180 0 0
1 122 PRO QD 55 no 70.0 100.0 0.084 0.084 0.000 9 2 no 0.000 0 0
1 123 LEU QB 27 no 80.0 100.0 0.011 0.011 0.000 15 7 no 0.000 0 0
1 123 LEU QD 19 no 100.0 100.0 9.636 9.639 0.003 27 12 no 0.165 0 0
1 124 LEU QB 73 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 124 LEU QD 2 no 100.0 99.9 13.002 13.014 0.011 49 20 no 0.178 0 0
1 125 ARG QB 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 125 ARG QD 46 no 0.0 0.0 0.000 0.005 0.005 10 2 no 0.180 0 0
1 125 ARG QG 60 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 127 MET QB 42 no 90.0 99.9 0.549 0.550 0.001 11 4 no 0.116 0 0
1 127 MET QG 87 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 129 TYR QB 31 no 100.0 99.6 0.832 0.836 0.003 13 2 no 0.178 0 0
1 130 GLU QB 36 no 100.0 100.0 0.957 0.957 0.000 12 3 no 0.000 0 0
1 130 GLU QG 123 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.178 0 0
1 132 LYS QB 104 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 132 LYS QD 212 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 132 LYS QE 114 no 100.0 0.0 0.000 0.001 0.001 6 6 no 0.103 0 0
1 132 LYS QG 79 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 133 VAL QG 20 no 100.0 100.0 6.868 6.868 0.001 24 2 no 0.116 0 0
1 134 LEU QB 211 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 134 LEU QD 7 no 100.0 100.0 8.823 8.824 0.001 38 16 no 0.103 0 0
1 135 PRO QD 103 no 35.0 99.8 0.120 0.121 0.000 6 2 no 0.069 0 0
1 137 SER QB 152 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.082 0 0
1 138 SER QB 122 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.103 0 0
1 141 ASN QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 ASN QD 121 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.143 0 0
1 142 ARG QB 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 143 ARG QB 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 143 ARG QD 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 ARG QG 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 SER QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 146 LYS QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 146 LYS QD 164 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.239 0 0
1 146 LYS QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 ASN QB 86 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 148 ARG QB 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 GLU QB 115 no 95.0 99.9 1.313 1.314 0.001 5 1 no 0.105 0 0
1 149 GLU QG 66 no 100.0 0.0 0.000 0.002 0.002 8 2 no 0.130 0 0
1 150 SER QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 GLU QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 GLU QG 29 no 100.0 98.0 0.942 0.961 0.019 14 4 no 0.362 0 0
1 152 TRP QB 58 no 100.0 99.6 0.485 0.487 0.002 9 5 no 0.105 0 0
1 153 GLU QB 34 no 100.0 99.9 0.305 0.305 0.000 12 1 no 0.085 0 0
1 153 GLU QG 85 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
1 155 VAL QG 21 no 100.0 100.0 5.679 5.679 0.000 23 4 no 0.043 0 0
1 156 PHE QB 65 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.031 0 0
1 157 ARG QD 84 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.142 0 0
1 158 HIS QB 117 no 100.0 100.0 0.109 0.109 0.000 4 0 no 0.000 0 0
1 159 LEU QB 72 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 159 LEU QD 14 no 100.0 100.0 10.512 10.517 0.004 31 10 no 0.176 0 0
1 160 GLU QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 160 GLU QG 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
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