Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533282 | 2kly RC | 16404 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kly
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 218
_Stereo_assign_list.Swap_count 8
_Stereo_assign_list.Swap_percentage 3.7
_Stereo_assign_list.Deassign_count 5
_Stereo_assign_list.Deassign_percentage 2.3
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 11.044
_Stereo_assign_list.Total_e_high_states 229.916
_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 5 GLY QA 184 no 100.0 100.0 0.004 0.004 0.000 2 0 no 0.104 0 0
1 8 LEU QB 183 no 100.0 100.0 0.003 0.003 0.000 2 0 no 0.080 0 0
1 8 LEU QD 21 no 100.0 100.0 2.020 2.020 0.000 12 2 no 0.010 0 0
1 9 LYS QB 182 no 50.0 98.3 0.535 0.545 0.009 2 0 no 0.170 0 0
1 9 LYS QG 151 no 50.0 82.6 0.043 0.052 0.009 3 0 no 0.162 0 0
1 10 ARG QD 193 no 100.0 0.0 0.000 0.015 0.015 2 2 no 0.302 0 0
1 11 LEU QB 61 no 100.0 100.0 0.005 0.005 0.000 7 2 no 0.000 0 0
1 11 LEU QD 2 no 100.0 100.0 7.941 7.941 0.000 32 5 no 0.000 0 0
1 12 MET QB 126 no 100.0 100.0 0.549 0.549 0.000 4 0 no 0.000 0 0
1 12 MET QG 125 no 90.0 96.5 0.630 0.653 0.023 4 0 no 0.192 0 0
1 14 GLU QB 130 no 10.0 10.7 0.006 0.055 0.049 4 1 no 0.280 0 0
1 14 GLU QG 92 no 100.0 100.0 0.149 0.149 0.000 5 0 no 0.000 0 0
1 15 TYR QB 150 yes 100.0 100.0 0.114 0.114 0.000 3 0 no 0.000 0 0
1 15 TYR QE 215 yes 100.0 99.9 1.738 1.739 0.001 1 0 no 0.098 0 0
1 16 LYS QB 188 no 90.0 97.4 0.314 0.322 0.008 2 1 no 0.290 0 0
1 16 LYS QG 129 no 40.0 90.2 0.037 0.041 0.004 4 1 no 0.112 0 0
1 17 GLN QE 34 no 100.0 0.0 0.000 0.001 0.001 9 0 no 0.073 0 0
1 18 LEU QB 48 no 100.0 100.0 0.311 0.311 0.000 8 4 no 0.000 0 0
1 18 LEU QD 4 no 100.0 100.0 9.072 9.073 0.001 26 8 no 0.066 0 0
1 20 LEU QB 124 no 100.0 100.0 0.005 0.005 0.000 4 0 no 0.116 0 0
1 20 LEU QD 123 no 60.0 99.1 0.263 0.265 0.002 4 0 no 0.151 0 0
1 21 ASN QB 60 no 100.0 100.0 0.114 0.114 0.000 7 2 no 0.000 0 0
1 21 ASN QD 36 no 30.0 89.9 0.018 0.020 0.002 9 2 no 0.076 0 0
1 23 PRO QB 75 no 100.0 93.4 0.821 0.879 0.058 6 1 no 0.634 0 1
1 23 PRO QD 154 no 100.0 99.3 0.888 0.894 0.007 3 1 no 0.114 0 0
1 23 PRO QG 153 no 100.0 100.0 0.006 0.006 0.000 3 1 no 0.129 0 0
1 24 GLU QB 122 no 90.0 98.3 0.465 0.473 0.008 4 0 no 0.183 0 0
1 24 GLU QG 121 no 80.0 82.5 0.153 0.186 0.032 4 0 no 0.223 0 0
1 25 GLY QA 59 no 90.0 8.5 0.000 0.002 0.002 7 2 no 0.077 0 0
1 27 VAL QG 12 no 100.0 96.9 5.438 5.613 0.175 18 6 no 0.415 0 0
1 29 GLY QA 214 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 31 MET QB 213 no 30.0 100.0 0.003 0.003 0.000 1 0 no 0.000 0 0
1 32 ASN QD 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 GLU QB 180 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.021 0 0
1 33 GLU QG 149 no 30.0 98.9 0.020 0.020 0.000 3 0 no 0.047 0 0
1 34 GLU QB 54 no 40.0 91.8 0.393 0.428 0.035 7 0 no 0.313 0 0
1 34 GLU QG 148 no 80.0 99.3 0.377 0.380 0.003 3 0 no 0.086 0 0
1 35 ASN QB 47 no 30.0 95.3 0.010 0.010 0.000 8 4 no 0.057 0 0
1 35 ASN QD 28 no 100.0 97.6 0.230 0.236 0.006 12 10 no 0.115 0 0
1 37 PHE QB 91 no 100.0 99.9 1.310 1.311 0.001 5 0 no 0.092 0 0
1 37 PHE QD 136 no 80.0 76.0 11.088 14.588 3.500 4 3 yes 2.270 8 8
1 37 PHE QE 187 no 80.0 56.3 2.715 4.823 2.108 2 1 yes 2.931 4 4
1 38 GLU QB 79 no 60.0 95.9 0.448 0.467 0.019 6 2 no 0.216 0 0
1 38 GLU QG 101 no 40.0 97.8 0.239 0.245 0.005 5 4 no 0.115 0 0
1 39 TRP QB 74 no 100.0 100.0 1.784 1.784 0.000 6 1 no 0.000 0 0
1 40 GLU QB 147 no 80.0 7.1 0.001 0.008 0.007 3 0 no 0.172 0 0
1 40 GLU QG 179 no 40.0 99.3 0.485 0.489 0.003 2 0 no 0.152 0 0
1 42 LEU QB 27 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.049 0 0
1 42 LEU QD 17 no 100.0 99.5 7.517 7.554 0.036 14 7 no 0.415 0 0
1 43 ILE QG 90 no 100.0 100.0 0.655 0.655 0.000 5 0 no 0.009 0 0
1 44 MET QB 83 no 90.0 60.8 0.021 0.035 0.014 6 3 no 0.210 0 0
1 44 MET QG 85 no 100.0 0.8 0.000 0.027 0.027 6 4 no 0.224 0 0
1 46 PRO QB 53 no 100.0 84.1 0.012 0.014 0.002 7 0 no 0.190 0 0
1 46 PRO QG 58 no 100.0 98.1 0.005 0.006 0.000 7 2 no 0.156 0 0
1 47 GLU QB 178 no 100.0 93.0 0.939 1.010 0.071 2 0 no 0.723 0 1
1 47 GLU QG 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 48 ASP QB 42 no 90.0 14.9 0.002 0.016 0.014 8 0 no 0.226 0 0
1 50 CYS QB 20 no 70.0 99.6 0.422 0.424 0.002 12 0 no 0.069 0 0
1 51 PHE QB 100 no 100.0 100.0 0.014 0.014 0.000 5 3 no 0.184 0 0
1 51 PHE QD 192 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 52 GLU QB 52 no 50.0 97.5 0.558 0.573 0.014 7 0 no 0.276 0 0
1 52 GLU QG 176 no 60.0 94.9 0.226 0.238 0.012 2 0 no 0.200 0 0
1 53 PHE QB 65 no 80.0 67.8 0.270 0.398 0.128 7 5 no 0.695 0 2
1 53 PHE QD 158 no 80.0 25.9 0.044 0.170 0.126 3 2 no 0.695 0 2
1 54 GLY QA 39 no 100.0 100.0 0.007 0.007 0.000 9 5 no 0.140 0 0
1 55 VAL QG 14 no 100.0 99.4 1.028 1.034 0.007 17 6 no 0.246 0 0
1 56 PHE QB 212 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.024 0 0
1 56 PHE QD 211 yes 100.0 100.0 1.031 1.031 0.000 1 0 no 0.000 0 0
1 56 PHE QE 210 yes 100.0 100.0 5.174 5.174 0.000 1 0 no 0.000 0 0
1 57 PRO QB 152 no 100.0 100.0 0.001 0.001 0.000 3 1 no 0.082 0 0
1 57 PRO QG 146 no 100.0 100.0 0.008 0.008 0.000 3 0 no 0.179 0 0
1 59 ILE QG 120 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 60 LEU QB 38 no 100.0 100.0 0.985 0.985 0.000 9 3 no 0.036 0 0
1 60 LEU QD 5 no 100.0 100.0 5.099 5.099 0.000 25 9 no 0.013 0 0
1 61 SER QB 43 no 70.0 98.2 0.283 0.289 0.005 8 2 no 0.145 0 0
1 62 PHE QB 57 yes 100.0 14.6 0.416 2.853 2.437 7 2 yes 2.586 4 4
1 62 PHE QD 209 yes 100.0 100.0 6.037 6.037 0.000 1 0 no 0.000 0 0
1 62 PHE QE 186 yes 100.0 100.0 5.690 5.690 0.000 2 1 no 0.000 0 0
1 63 PRO QB 208 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 63 PRO QG 119 no 80.0 37.8 0.010 0.026 0.016 4 0 no 0.296 0 0
1 64 LEU QB 73 no 100.0 100.0 0.005 0.005 0.000 6 1 no 0.099 0 0
1 64 LEU QD 15 no 100.0 88.3 7.971 9.025 1.054 15 3 yes 1.678 4 4
1 65 ASP QB 35 no 90.0 99.9 1.600 1.601 0.001 9 2 no 0.076 0 0
1 66 TYR QB 145 no 10.0 51.2 0.002 0.005 0.002 3 0 no 0.151 0 0
1 67 PRO QB 157 no 40.0 96.9 0.894 0.922 0.029 3 2 no 0.302 0 0
1 68 LEU QB 45 no 10.0 86.9 0.210 0.242 0.032 8 3 no 0.297 0 0
1 68 LEU QD 25 no 90.0 99.4 5.073 5.102 0.030 12 5 no 0.533 0 1
1 69 SER QB 207 no 30.0 18.6 0.002 0.013 0.011 1 0 no 0.218 0 0
1 71 PRO QB 206 no 100.0 100.0 0.003 0.003 0.000 1 0 no 0.127 0 0
1 71 PRO QD 218 no 100.0 100.0 0.001 0.001 0.000 1 1 no 0.116 0 0
1 71 PRO QG 191 no 100.0 100.0 0.002 0.002 0.000 2 2 no 0.124 0 0
1 72 LYS QB 44 no 80.0 98.9 0.739 0.747 0.008 8 3 no 0.144 0 0
1 72 LYS QD 217 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 72 LYS QG 98 no 10.0 100.0 0.005 0.005 0.000 5 2 no 0.000 0 0
1 73 MET QB 128 no 100.0 100.0 0.001 0.001 0.000 4 1 no 0.061 0 0
1 73 MET QG 84 no 100.0 100.0 0.001 0.001 0.000 6 4 no 0.054 0 0
1 74 ARG QB 37 no 100.0 100.0 0.000 0.000 0.000 9 3 no 0.037 0 0
1 74 ARG QD 137 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 74 ARG QG 135 no 100.0 0.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 75 PHE QB 118 no 100.0 100.0 0.817 0.817 0.000 4 0 no 0.000 0 0
1 75 PHE QD 175 yes 80.0 100.0 0.641 0.641 0.000 2 0 no 0.041 0 0
1 75 PHE QE 205 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 77 CYS QB 174 no 10.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 78 GLU QB 185 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 78 GLU QG 94 no 80.0 94.6 0.383 0.405 0.022 5 1 no 0.190 0 0
1 79 MET QB 117 no 40.0 30.1 0.011 0.036 0.025 4 0 no 0.232 0 0
1 79 MET QG 173 no 70.0 98.4 0.257 0.261 0.004 2 0 no 0.106 0 0
1 80 PHE QB 41 no 90.0 100.0 0.155 0.155 0.000 8 0 no 0.008 0 0
1 81 HIS QB 204 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 83 ASN QB 40 no 20.0 98.5 0.029 0.030 0.000 8 0 no 0.060 0 0
1 84 ILE QG 172 no 30.0 86.6 0.056 0.064 0.009 2 0 no 0.143 0 0
1 85 TYR QB 203 no 100.0 100.0 0.014 0.014 0.000 1 0 no 0.343 0 0
1 86 PRO QB 116 no 100.0 100.0 0.026 0.026 0.000 4 0 no 0.274 0 0
1 86 PRO QD 202 no 100.0 100.0 0.031 0.031 0.000 1 0 no 0.240 0 0
1 86 PRO QG 171 no 40.0 97.5 0.000 0.000 0.000 2 0 no 0.011 0 0
1 87 ASP QB 170 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
1 88 GLY QA 51 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.013 0 0
1 89 ARG QB 156 no 60.0 64.2 0.419 0.652 0.233 3 2 yes 1.528 1 1
1 89 ARG QG 190 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 90 VAL QG 10 no 100.0 100.0 10.325 10.327 0.001 19 1 no 0.054 0 0
1 91 CYS QB 18 no 20.0 98.2 0.059 0.060 0.001 13 0 no 0.070 0 0
1 92 ILE QG 201 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 95 LEU QB 97 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 95 LEU QD 8 no 100.0 99.9 8.019 8.025 0.007 22 5 no 0.164 0 0
1 96 HIS QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 98 PRO QD 115 no 30.0 99.2 0.024 0.024 0.000 4 0 no 0.044 0 0
1 98 PRO QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 GLY QA 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 ASP QB 113 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.173 0 0
1 101 ASP QB 167 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.104 0 0
1 102 PRO QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 PRO QD 70 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.017 0 0
1 103 MET QB 50 no 100.0 99.0 0.922 0.931 0.009 7 0 no 0.280 0 0
1 103 MET QG 112 no 90.0 55.3 0.003 0.006 0.003 4 0 no 0.192 0 0
1 105 TYR QB 19 no 40.0 93.2 0.161 0.172 0.012 12 0 no 0.229 0 0
1 106 GLU QB 49 no 100.0 0.0 0.000 0.004 0.004 7 0 no 0.161 0 0
1 107 SER QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 111 ARG QB 111 no 10.0 48.3 0.002 0.004 0.002 4 0 no 0.136 0 0
1 111 ARG QD 164 no 40.0 90.9 0.017 0.019 0.002 2 0 no 0.132 0 0
1 111 ARG QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 112 TRP QB 69 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.016 0 0
1 113 SER QB 96 no 100.0 0.0 0.000 0.007 0.007 5 2 no 0.209 0 0
1 114 PRO QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 VAL QG 13 no 100.0 99.2 2.637 2.659 0.022 17 2 no 0.293 0 0
1 116 GLN QE 68 no 0.0 0.0 0.000 0.117 0.117 6 0 no 0.935 0 1
1 116 GLN QG 161 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.236 0 0
1 117 SER QB 89 no 100.0 0.0 0.000 0.004 0.004 5 0 no 0.173 0 0
1 118 VAL QG 11 no 100.0 100.0 4.596 4.598 0.002 18 6 no 0.070 0 0
1 120 LYS QB 160 no 100.0 100.0 0.002 0.002 0.000 2 0 no 0.089 0 0
1 121 ILE QG 200 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 122 LEU QB 56 no 10.0 34.9 0.000 0.001 0.000 7 2 no 0.030 0 0
1 122 LEU QD 9 no 100.0 100.0 1.557 1.557 0.000 21 7 no 0.028 0 0
1 123 LEU QB 134 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 123 LEU QD 24 no 100.0 100.0 2.801 2.801 0.000 12 4 no 0.025 0 0
1 124 SER QB 93 no 70.0 97.4 0.132 0.136 0.003 5 1 no 0.103 0 0
1 125 VAL QG 7 no 100.0 100.0 1.626 1.627 0.001 23 7 no 0.045 0 0
1 126 VAL QG 6 no 100.0 100.0 14.630 14.633 0.003 23 3 no 0.084 0 0
1 128 MET QB 82 no 10.0 2.4 0.000 0.013 0.013 6 3 no 0.131 0 0
1 128 MET QG 78 no 100.0 100.0 0.003 0.003 0.000 6 2 no 0.134 0 0
1 129 LEU QB 77 no 100.0 100.0 0.007 0.007 0.000 6 2 no 0.090 0 0
1 129 LEU QD 3 no 100.0 99.8 8.928 8.945 0.017 31 7 no 0.160 0 0
1 131 GLU QB 199 no 30.0 90.1 0.059 0.066 0.006 1 0 no 0.184 0 0
1 131 GLU QG 198 no 30.0 94.7 0.045 0.047 0.003 1 0 no 0.137 0 0
1 132 PRO QB 110 no 30.0 83.6 0.053 0.063 0.010 4 0 no 0.138 0 0
1 132 PRO QG 197 no 10.0 92.5 0.052 0.056 0.004 1 0 no 0.113 0 0
1 133 ASN QB 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 134 ASP QB 88 no 70.0 95.0 0.303 0.319 0.016 5 0 no 0.307 0 0
1 135 GLU QB 108 no 30.0 99.1 0.259 0.261 0.002 4 0 no 0.101 0 0
1 135 GLU QG 144 no 70.0 94.2 0.479 0.508 0.029 3 0 no 0.484 0 0
1 137 GLY QA 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 139 ASN QB 31 no 80.0 53.8 0.002 0.004 0.002 10 0 no 0.127 0 0
1 140 VAL QG 23 no 100.0 99.8 18.689 18.722 0.032 12 3 no 0.332 0 0
1 141 ASP QB 87 no 100.0 96.3 0.128 0.132 0.005 5 0 no 0.084 0 0
1 143 SER QB 196 no 10.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 144 LYS QB 81 no 60.0 99.8 0.248 0.249 0.000 6 3 no 0.056 0 0
1 144 LYS QG 46 no 60.0 82.3 0.157 0.191 0.034 8 4 no 0.332 0 0
1 145 MET QB 76 no 30.0 98.9 0.145 0.146 0.002 6 2 no 0.074 0 0
1 145 MET QG 133 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 146 TRP QB 67 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.056 0 0
1 147 ARG QB 66 no 80.0 92.3 0.104 0.113 0.009 6 0 no 0.157 0 0
1 147 ARG QD 64 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 147 ARG QG 63 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 148 ASP QB 143 no 100.0 99.9 0.563 0.563 0.000 3 0 no 0.060 0 0
1 149 ASP QB 142 no 100.0 0.0 0.000 0.001 0.001 3 0 no 0.086 0 0
1 150 ARG QB 106 no 50.0 73.6 0.026 0.035 0.009 4 0 no 0.120 0 0
1 150 ARG QD 216 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 150 ARG QG 72 no 30.0 100.0 0.003 0.003 0.000 6 1 no 0.000 0 0
1 151 GLU QB 141 no 20.0 62.6 0.002 0.004 0.001 3 0 no 0.070 0 0
1 151 GLU QG 140 no 20.0 99.7 0.009 0.009 0.000 3 0 no 0.016 0 0
1 152 GLN QB 105 no 100.0 13.7 0.000 0.003 0.002 4 0 no 0.116 0 0
1 152 GLN QE 139 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.023 0 0
1 152 GLN QG 95 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.039 0 0
1 153 PHE QB 104 no 100.0 100.0 0.017 0.017 0.000 4 0 no 0.152 0 0
1 154 TYR QB 86 no 100.0 100.0 0.006 0.006 0.000 5 0 no 0.091 0 0
1 155 LYS QB 99 no 100.0 96.9 1.050 1.084 0.033 5 3 no 0.266 0 0
1 155 LYS QD 155 no 90.0 100.0 0.819 0.819 0.000 3 2 no 0.039 0 0
1 155 LYS QG 29 no 100.0 99.9 3.970 3.974 0.005 11 4 no 0.123 0 0
1 156 ILE QG 55 no 100.0 100.0 0.000 0.000 0.000 7 2 no 0.037 0 0
1 158 LYS QB 195 no 100.0 100.0 0.005 0.005 0.000 1 0 no 0.089 0 0
1 158 LYS QG 132 no 100.0 47.2 0.001 0.002 0.001 4 2 no 0.093 0 0
1 159 GLN QB 32 no 50.0 97.0 0.753 0.776 0.024 10 2 no 0.251 0 0
1 159 GLN QE 16 no 100.0 99.0 0.496 0.501 0.005 15 9 no 0.123 0 0
1 159 GLN QG 22 no 90.0 83.2 0.137 0.165 0.028 12 3 no 0.258 0 0
1 160 ILE QG 103 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.043 0 0
1 161 VAL QG 1 no 100.0 100.0 11.211 11.216 0.005 36 12 no 0.107 0 0
1 162 GLN QB 30 no 60.0 99.1 0.815 0.822 0.007 11 5 no 0.139 0 0
1 162 GLN QE 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 162 GLN QG 33 no 60.0 98.6 0.188 0.191 0.003 10 5 no 0.107 0 0
1 163 LYS QB 71 no 20.0 50.0 0.007 0.014 0.007 6 1 no 0.086 0 0
1 163 LYS QD 127 no 30.0 97.1 0.045 0.046 0.001 4 1 no 0.085 0 0
1 163 LYS QE 80 no 100.0 99.9 2.005 2.008 0.003 6 3 no 0.117 0 0
1 163 LYS QG 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 164 SER QB 194 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 165 LEU QB 131 no 100.0 100.0 0.037 0.037 0.000 4 2 no 0.179 0 0
1 165 LEU QD 26 no 100.0 99.5 5.694 5.724 0.031 12 6 no 0.179 0 0
1 166 GLY QA 138 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 167 LEU QB 189 no 20.0 86.2 0.040 0.047 0.006 2 2 no 0.139 0 0
1 167 LEU QD 62 no 100.0 100.0 7.245 7.247 0.002 7 3 no 0.085 0 0
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