NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577381 |
2mp4   |
18356 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mp4
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 244
_Stereo_assign_list.Swap_count 3
_Stereo_assign_list.Swap_percentage 1.2
_Stereo_assign_list.Deassign_count 5
_Stereo_assign_list.Deassign_percentage 2.0
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 8.300
_Stereo_assign_list.Total_e_high_states 49.533
_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 3 SER QB 242 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 VAL QG 8 no 40.0 100.0 0.087 0.087 0.000 17 0 no 0.019 0 0
1 6 MET QB 195 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 6 MET QG 241 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 VAL QG 38 no 100.0 99.9 0.174 0.174 0.000 9 0 no 0.039 0 0
1 10 ASP QB 11 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 11 VAL QG 20 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 12 GLN QB 37 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 12 GLN QG 7 no 100.0 0.0 0.000 0.003 0.003 18 8 no 0.099 0 0
1 14 SER QB 194 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 15 PHE QB 6 no 100.0 0.0 0.000 0.003 0.003 18 8 no 0.099 0 0
1 15 PHE QD 240 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 PHE QE 198 yes 100.0 99.3 2.454 2.471 0.017 3 0 no 0.301 0 0
1 16 GLN QB 14 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.000 0 0
1 16 GLN QG 69 no 100.0 100.0 0.343 0.343 0.000 7 0 no 0.000 0 0
1 17 LYS QB 239 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 LYS QD 193 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 LYS QE 192 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 17 LYS QG 191 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 LEU QB 22 no 90.0 0.0 0.000 0.011 0.011 12 2 no 0.206 0 0
1 18 LEU QD 4 no 90.0 99.4 1.207 1.214 0.007 19 4 no 0.217 0 0
1 19 SER QB 190 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 GLU QB 238 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 GLU QG 189 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 ARG QB 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 ARG QD 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 ARG QG 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 23 LYS QB 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 23 LYS QD 236 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 LYS QG 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 GLU QB 101 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 24 GLU QG 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.035 0 0
1 25 TYR QB 235 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 TYR QD 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 TYR QE 244 no 60.0 2.5 0.002 0.098 0.095 1 0 no 0.754 0 2
1 26 ARG QB 234 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 26 ARG QD 233 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 ARG QG 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 TYR QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 TYR QD 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 TYR QE 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 28 ILE QG 60 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 29 ILE QG 99 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 30 PHE QB 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.061 0 0
1 30 PHE QD 109 no 30.0 5.9 0.011 0.194 0.182 5 0 yes 1.382 1 1
1 30 PHE QE 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 LYS QB 243 no 80.0 100.0 1.053 1.053 0.000 1 0 no 0.010 0 0
1 31 LYS QD 98 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.074 0 0
1 31 LYS QE 231 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.078 0 0
1 31 LYS QG 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 32 ILE QG 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 33 ASP QB 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 34 GLU QB 230 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 GLU QG 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 35 ASN QB 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 LYS QB 94 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 36 LYS QD 59 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 36 LYS QE 19 no 100.0 18.1 0.002 0.008 0.007 12 0 no 0.112 0 0
1 36 LYS QG 18 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 37 VAL QG 36 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 38 ILE QG 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 39 VAL QG 3 no 20.0 98.9 0.042 0.042 0.000 19 4 no 0.069 0 0
1 40 GLU QG 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 VAL QG 58 no 10.0 100.0 0.002 0.002 0.000 8 0 no 0.000 0 0
1 45 GLN QB 35 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.067 0 0
1 45 GLN QG 57 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.028 0 0
1 46 ASP QB 68 no 100.0 0.0 0.000 0.004 0.004 7 0 no 0.116 0 0
1 47 GLN QB 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 47 GLN QG 93 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 48 LEU QB 56 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 48 LEU QD 34 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.066 0 0
1 50 ILE QG 92 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 52 GLY QA 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 ASP QB 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 ASP QB 91 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 55 TYR QB 12 no 90.0 100.0 0.648 0.648 0.000 15 0 no 0.025 0 0
1 55 TYR QD 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 56 ASP QB 197 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 57 ASP QB 228 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 SER QB 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 SER QB 90 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 60 LYS QB 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 60 LYS QD 171 no 100.0 0.0 0.000 0.027 0.027 4 0 no 0.380 0 0
1 60 LYS QE 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 60 LYS QG 25 no 100.0 0.0 0.000 0.004 0.004 12 4 no 0.111 0 0
1 63 PHE QB 55 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.016 0 0
1 63 PHE QD 169 yes 80.0 99.2 0.327 0.329 0.003 4 0 no 0.159 0 0
1 63 PHE QE 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 64 ASP QB 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 LYS QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 LYS QD 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 LYS QE 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 LYS QG 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 PHE QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 PHE QD 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 PHE QE 222 no 100.0 0.0 0.000 0.016 0.016 2 0 no 0.348 0 0
1 67 VAL QG 54 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 68 GLU QB 53 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 68 GLU QG 89 no 100.0 0.0 0.000 0.079 0.079 6 0 no 0.402 0 0
1 69 ASP QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 VAL QG 88 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.011 0 0
1 71 LYS QB 87 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 71 LYS QD 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 LYS QE 161 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.187 0 0
1 71 LYS QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 72 SER QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 ARG QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 ARG QD 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 ARG QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 ASP QB 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 ASN QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 77 LEU QB 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 77 LEU QD 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 79 ASP QB 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 80 CYS QB 152 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.078 0 0
1 81 ARG QB 86 no 30.0 99.9 0.028 0.028 0.000 6 0 no 0.016 0 0
1 81 ARG QD 85 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.108 0 0
1 81 ARG QG 84 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.093 0 0
1 82 TYR QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 TYR QD 150 no 40.0 99.8 0.044 0.044 0.000 4 0 no 0.029 0 0
1 84 VAL QG 5 no 100.0 100.0 4.609 4.610 0.000 18 6 no 0.033 0 0
1 85 PHE QB 108 no 100.0 99.8 1.019 1.020 0.002 5 0 no 0.105 0 0
1 85 PHE QD 21 no 70.0 53.3 0.811 1.520 0.710 12 2 no 0.641 0 3
1 85 PHE QE 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 86 ASP QB 104 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 87 PHE QB 63 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.000 0 0
1 87 PHE QD 107 no 40.0 76.9 0.054 0.070 0.016 5 0 no 0.365 0 0
1 87 PHE QE 218 no 100.0 0.0 0.000 0.022 0.022 2 0 no 0.349 0 0
1 88 LYS QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 88 LYS QD 16 no 70.0 99.0 0.447 0.451 0.004 14 4 no 0.169 0 0
1 88 LYS QE 148 no 100.0 0.0 0.000 0.007 0.007 4 0 no 0.143 0 0
1 88 LYS QG 27 no 20.0 85.9 0.014 0.016 0.002 11 0 no 0.089 0 0
1 89 PHE QB 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 PHE QD 67 no 100.0 100.0 5.410 5.411 0.000 7 0 no 0.045 0 0
1 89 PHE QE 52 no 100.0 99.9 4.578 4.582 0.004 8 0 no 0.149 0 0
1 91 CYS QB 83 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 93 ARG QB 33 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 93 ARG QD 82 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.069 0 0
1 93 ARG QG 32 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.095 0 0
1 94 VAL QG 81 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 99 SER QB 80 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.058 0 0
1 100 LYS QD 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.019 0 0
1 100 LYS QE 146 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.164 0 0
1 100 LYS QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 101 MET QG 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 102 ASP QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 103 LYS QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 103 LYS QD 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 103 LYS QE 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 LYS QG 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 105 ILE QG 62 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 106 PHE QB 139 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.093 0 0
1 106 PHE QD 138 no 50.0 52.4 1.753 3.349 1.596 4 0 yes 2.863 5 5
1 106 PHE QE 61 no 50.0 54.1 3.196 5.904 2.708 8 4 yes 2.583 9 10
1 107 LEU QB 79 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 107 LEU QD 13 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.058 0 0
1 108 GLN QB 51 no 100.0 99.8 1.231 1.233 0.003 8 0 no 0.105 0 0
1 108 GLN QG 66 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.038 0 0
1 109 ILE QG 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 110 CYS QB 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 111 PRO QB 50 no 100.0 0.0 0.000 0.008 0.008 8 0 no 0.137 0 0
1 111 PRO QG 65 no 100.0 0.0 0.000 0.001 0.001 7 0 no 0.055 0 0
1 112 ASP QB 78 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 113 GLY QA 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 115 SER QB 49 no 100.0 0.0 0.000 0.005 0.005 8 0 no 0.114 0 0
1 116 ILE QG 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 117 LYS QB 48 no 100.0 0.0 0.000 0.004 0.004 8 0 no 0.088 0 0
1 117 LYS QD 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 117 LYS QE 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 117 LYS QG 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 LYS QB 106 no 30.0 100.0 0.043 0.043 0.000 5 0 no 0.000 0 0
1 118 LYS QD 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 LYS QE 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 118 LYS QG 77 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 119 LYS QB 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 119 LYS QD 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 LYS QE 76 no 100.0 0.0 0.000 0.006 0.006 6 0 no 0.171 0 0
1 119 LYS QG 15 no 100.0 0.0 0.000 0.012 0.012 14 4 no 0.163 0 0
1 120 MET QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 120 MET QG 47 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 121 VAL QG 9 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.000 0 0
1 122 TYR QB 103 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.038 0 0
1 122 TYR QD 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 122 TYR QE 105 yes 80.0 75.0 6.096 8.127 2.031 5 0 yes 2.733 5 5
1 124 SER QB 46 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 125 SER QB 75 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 129 ILE QG 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 130 LYS QD 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 130 LYS QE 45 no 0.0 0.0 0.000 0.002 0.002 8 0 no 0.106 0 0
1 130 LYS QG 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 132 SER QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 133 LEU QB 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 133 LEU QD 1 no 50.0 98.6 0.052 0.053 0.001 32 18 no 0.065 0 0
1 137 LYS QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 137 LYS QE 126 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.115 0 0
1 137 LYS QG 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 138 ILE QG 44 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 139 LEU QB 31 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.091 0 0
1 139 LEU QD 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 140 GLN QB 74 no 100.0 0.0 0.000 0.006 0.006 6 0 no 0.126 0 0
1 140 GLN QG 30 no 100.0 0.0 0.000 0.011 0.011 10 0 no 0.208 0 0
1 141 PHE QB 73 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 141 PHE QD 24 no 100.0 0.0 0.000 0.007 0.007 12 4 no 0.000 0 0
1 141 PHE QE 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 142 GLN QB 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 142 GLN QG 43 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.086 0 0
1 143 VAL QG 26 no 100.0 0.0 0.000 0.000 0.000 11 0 no 0.000 0 0
1 144 SER QB 72 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 145 ASP QB 42 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 146 GLU QB 41 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.080 0 0
1 146 GLU QG 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 SER QB 29 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.079 0 0
1 148 GLU QB 17 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 148 GLU QG 28 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 149 MET QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 149 MET QG 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 150 SER QB 40 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 151 HIS QB 196 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 152 LYS QD 23 no 100.0 24.8 0.000 0.001 0.001 12 4 no 0.049 0 0
1 152 LYS QE 121 no 0.0 0.0 0.000 0.003 0.003 4 0 no 0.108 0 0
1 152 LYS QG 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 153 GLU QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 153 GLU QG 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 154 LEU QB 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 154 LEU QD 2 no 100.0 75.1 1.770 2.356 0.586 28 17 yes 1.730 3 3
1 155 LEU QB 102 no 30.0 99.8 0.265 0.266 0.001 6 4 no 0.049 0 0
1 155 LEU QD 10 no 100.0 99.7 2.984 2.992 0.008 16 3 no 0.142 0 0
1 156 ASN QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 157 LYS QB 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 157 LYS QD 39 no 0.0 0.0 0.000 0.005 0.005 8 0 no 0.114 0 0
1 157 LYS QE 116 no 0.0 0.0 0.000 0.036 0.036 4 0 no 0.268 0 0
1 157 LYS QG 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 158 LEU QB 64 no 100.0 99.6 0.476 0.478 0.002 8 6 no 0.024 0 0
1 158 LEU QD 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 160 GLU QG 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 161 LYS QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 LYS QD 71 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.051 0 0
1 161 LYS QG 70 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.046 0 0
1 162 TYR QB 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 162 TYR QD 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 162 TYR QE 201 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.073 0 0
1 163 GLY QA 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 164 ASP QB 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 165 HIS QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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