NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600462 |
2mzv   |
19689 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mzv
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 228
_Stereo_assign_list.Swap_count 11
_Stereo_assign_list.Swap_percentage 4.8
_Stereo_assign_list.Deassign_count 9
_Stereo_assign_list.Deassign_percentage 3.9
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 135.497
_Stereo_assign_list.Total_e_high_states 1186.133
_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 4 LEU QD 113 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 9 ASP QB 138 no 100.0 100.0 1.044 1.044 0.000 4 0 no 0.005 0 0
1 10 SER QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 11 ASN QD 69 no 100.0 99.8 3.229 3.234 0.005 8 0 no 0.088 0 0
1 13 ASN QB 68 no 100.0 100.0 2.235 2.235 0.000 8 0 no 0.018 0 0
1 13 ASN QD 203 no 100.0 100.0 1.503 1.503 0.000 2 0 no 0.007 0 0
1 17 HIS QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 SER QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 19 LEU QB 61 no 100.0 100.0 0.487 0.487 0.000 9 3 no 0.008 0 0
1 19 LEU QD 13 no 100.0 10.3 2.226 21.672 19.446 16 7 no 0.027 0 0
1 21 ARG QB 78 no 100.0 99.9 1.251 1.251 0.001 8 3 no 0.036 0 0
1 21 ARG QD 39 no 100.0 100.0 0.962 0.962 0.000 12 7 no 0.173 0 0
1 21 ARG QG 77 yes 90.0 8.8 0.465 5.281 4.816 8 3 yes 1.143 6 33
1 22 PHE QB 141 no 100.0 100.0 2.030 2.030 0.001 4 1 no 0.035 0 0
1 22 PHE QD 146 yes 100.0 100.0 13.599 13.604 0.004 4 3 no 0.000 0 0
1 22 PHE QE 37 yes 100.0 100.0 66.956 66.957 0.000 12 6 no 0.023 0 0
1 24 VAL QG 9 no 100.0 89.2 4.290 4.811 0.521 19 7 no 0.021 0 0
1 25 ASP QB 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 26 GLN QB 228 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 26 GLN QE 88 no 100.0 99.9 2.558 2.561 0.003 7 2 no 0.072 0 0
1 26 GLN QG 224 no 35.0 100.0 0.001 0.001 0.000 1 0 no 0.000 0 0
1 27 HIS QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 28 ASN QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 LYS QB 154 no 100.0 99.8 0.064 0.064 0.000 3 0 no 0.018 0 0
1 30 LYS QD 57 no 100.0 100.0 1.721 1.721 0.000 9 0 no 0.000 0 0
1 30 LYS QE 227 no 100.0 100.0 0.906 0.906 0.000 1 1 no 0.002 0 0
1 30 LYS QG 137 no 100.0 100.0 0.008 0.008 0.000 4 0 no 0.000 0 0
1 31 GLU QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 GLU QG 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 32 ASN QB 120 no 100.0 100.0 0.362 0.362 0.000 5 1 no 0.000 0 0
1 32 ASN QD 52 no 90.0 100.0 0.045 0.045 0.000 10 8 no 0.000 0 0
1 34 LEU QB 64 no 100.0 98.9 0.294 0.298 0.003 9 4 no 0.063 0 0
1 34 LEU QD 7 no 100.0 100.0 3.799 3.799 0.000 21 7 no 0.011 0 0
1 35 LEU QD 6 no 100.0 11.8 4.978 42.294 37.315 23 11 no 0.054 0 0
1 36 GLU QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 GLU QG 136 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.034 0 0
1 37 LEU QD 112 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 38 VAL QG 135 no 100.0 99.7 0.204 0.204 0.001 4 0 no 0.029 0 0
1 41 VAL QG 29 no 100.0 100.0 23.080 23.080 0.001 13 4 no 0.034 0 0
1 42 GLU QB 226 no 40.0 100.0 0.728 0.728 0.000 1 1 no 0.008 0 0
1 42 GLU QG 134 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.092 0 0
1 44 ARG QB 84 no 100.0 100.0 2.464 2.464 0.000 7 0 no 0.020 0 0
1 44 ARG QD 225 no 15.0 99.5 0.001 0.001 0.000 1 1 no 0.008 0 0
1 45 GLU QG 111 no 0.0 0.0 0.000 0.000 0.000 6 4 no 0.006 0 0
1 46 GLN QB 195 no 100.0 100.0 1.955 1.955 0.000 2 0 no 0.014 0 0
1 46 GLN QG 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 VAL QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 50 GLY QA 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 LEU QB 191 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.070 0 0
1 53 HIS QB 102 no 95.0 100.0 0.582 0.582 0.000 6 0 no 0.000 0 0
1 54 HIS QB 190 no 95.0 99.9 0.044 0.044 0.000 2 0 no 0.017 0 0
1 55 LEU QB 87 no 100.0 100.0 3.616 3.617 0.000 7 1 no 0.038 0 0
1 55 LEU QD 56 no 40.0 95.0 0.025 0.026 0.001 9 0 no 0.051 0 0
1 56 VAL QG 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 57 LEU QB 73 no 100.0 100.0 3.228 3.228 0.001 8 2 no 0.042 0 0
1 57 LEU QD 49 no 100.0 100.0 3.559 3.559 0.000 10 3 no 0.006 0 0
1 58 GLU QB 109 no 100.0 100.0 2.101 2.101 0.000 6 3 no 0.021 0 0
1 59 VAL QG 5 no 100.0 50.7 8.065 15.916 7.851 23 5 no 0.051 0 0
1 60 LEU QB 122 no 100.0 0.0 0.000 0.001 0.001 5 3 no 0.051 0 0
1 60 LEU QD 76 no 100.0 100.0 0.000 0.000 0.000 8 3 no 0.028 0 0
1 61 ASP QB 223 no 100.0 100.0 0.226 0.226 0.000 1 0 no 0.000 0 0
1 65 LYS QB 222 no 30.0 87.4 0.094 0.107 0.014 1 0 no 0.155 0 0
1 65 LYS QD 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 67 LEU QB 95 no 100.0 100.0 0.466 0.466 0.000 7 4 no 0.017 0 0
1 67 LEU QD 31 no 100.0 100.0 5.271 5.271 0.000 13 5 no 0.025 0 0
1 68 TYR QB 157 no 100.0 100.0 0.830 0.830 0.000 3 1 no 0.000 0 0
1 68 TYR QD 21 no 100.0 97.2 53.821 55.350 1.529 15 8 no 0.036 0 0
1 68 TYR QE 205 no 100.0 100.0 1.010 1.010 0.000 2 1 no 0.000 0 0
1 69 GLU QG 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 LYS QB 144 no 100.0 99.9 0.554 0.555 0.001 4 2 no 0.038 0 0
1 71 LYS QD 187 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.010 0 0
1 71 LYS QE 213 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 71 LYS QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 TRP QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 VAL QG 117 no 100.0 99.9 0.247 0.247 0.000 5 0 no 0.030 0 0
1 77 TRP QB 221 no 35.0 100.0 0.001 0.001 0.000 1 0 no 0.000 0 0
1 79 ASP QB 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 81 LYS QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 LYS QD 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 81 LYS QG 220 no 15.0 100.0 0.002 0.002 0.000 1 0 no 0.000 0 0
1 83 LEU QD 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 GLN QB 116 no 100.0 100.0 1.226 1.226 0.000 5 0 no 0.000 0 0
1 84 GLN QE 55 no 100.0 100.0 3.692 3.693 0.002 9 0 no 0.056 0 0
1 86 PHE QD 14 yes 100.0 100.0 50.273 50.274 0.001 16 8 no 0.045 0 0
1 86 PHE QE 51 yes 100.0 100.0 27.714 27.714 0.000 10 6 no 0.026 0 0
1 87 LYS QE 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 87 LYS QG 219 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.003 0 0
1 88 HIS QB 153 no 100.0 97.1 0.000 0.000 0.000 3 0 no 0.007 0 0
1 89 VAL QG 46 no 100.0 100.0 2.936 2.936 0.000 10 0 no 0.017 0 0
1 92 VAL QG 106 no 100.0 100.0 0.000 0.000 0.000 6 2 no 0.035 0 0
1 93 PRO QB 218 no 100.0 100.0 0.078 0.078 0.000 1 0 no 0.000 0 0
1 93 PRO QD 212 no 10.0 100.0 0.014 0.014 0.000 2 2 no 0.000 0 0
1 93 PRO QG 217 no 100.0 100.0 1.574 1.574 0.000 1 0 no 0.027 0 0
1 95 PHE QD 131 yes 80.0 91.4 0.170 0.186 0.016 4 0 no 0.326 0 0
1 95 PHE QE 216 yes 80.0 80.5 2.229 2.768 0.539 1 0 yes 2.066 3 3
1 97 SER QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.021 0 0
1 98 SER QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 99 ASP QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 100 LEU QB 83 no 100.0 100.0 1.307 1.307 0.000 7 0 no 0.025 0 0
1 100 LEU QD 101 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.011 0 0
1 101 GLY QA 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.021 0 0
1 107 GLN QB 110 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 107 GLN QE 149 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 109 SER QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.009 0 0
1 110 GLY QA 177 no 100.0 100.0 1.650 1.650 0.000 2 0 no 0.004 0 0
1 112 ARG QD 211 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.001 0 0
1 113 PRO QB 75 no 100.0 100.0 1.375 1.375 0.000 8 3 no 0.026 0 0
1 113 PRO QD 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 113 PRO QG 140 no 100.0 100.0 2.722 2.722 0.000 4 1 no 0.002 0 0
1 114 VAL QG 4 no 100.0 41.3 3.195 7.727 4.532 25 11 no 0.013 0 0
1 115 PRO QB 99 no 100.0 100.0 2.289 2.290 0.001 6 0 no 0.030 0 0
1 115 PRO QD 60 no 100.0 100.0 1.450 1.450 0.000 9 3 no 0.005 0 0
1 115 PRO QG 129 no 100.0 100.0 3.658 3.658 0.000 4 0 no 0.008 0 0
1 116 VAL QG 47 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 117 HIS QB 81 no 100.0 100.0 1.994 1.995 0.000 8 4 no 0.021 0 0
1 118 ASP QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 PRO QB 152 no 100.0 100.0 0.186 0.186 0.000 3 0 no 0.000 0 0
1 119 PRO QD 174 no 100.0 100.0 2.489 2.489 0.000 2 0 no 0.008 0 0
1 119 PRO QG 215 no 100.0 100.0 0.961 0.961 0.000 1 0 no 0.000 0 0
1 120 VAL QG 67 no 15.0 99.9 0.021 0.021 0.000 8 0 no 0.015 0 0
1 121 VAL QG 12 no 100.0 0.0 0.000 0.000 0.000 16 2 no 0.013 0 0
1 122 GLN QB 86 no 100.0 100.0 0.773 0.773 0.000 7 1 no 0.006 0 0
1 122 GLN QE 3 no 100.0 100.0 4.483 4.483 0.000 27 4 no 0.006 0 0
1 122 GLN QG 43 no 100.0 100.0 2.341 2.341 0.000 11 3 no 0.003 0 0
1 123 ASP QB 72 no 100.0 0.0 0.000 0.582 0.582 8 2 no 0.004 0 0
1 126 HIS QB 82 no 100.0 100.0 2.665 2.665 0.000 7 0 no 0.000 0 0
1 129 ILE QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 130 LYS QB 128 no 100.0 100.0 0.792 0.792 0.000 4 0 no 0.009 0 0
1 130 LYS QD 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 130 LYS QE 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 130 LYS QG 54 no 100.0 100.0 0.572 0.572 0.000 9 0 no 0.005 0 0
1 132 ILE QG 27 no 100.0 100.0 0.699 0.699 0.000 13 2 no 0.006 0 0
1 133 GLN QB 156 no 100.0 100.0 0.782 0.782 0.000 3 1 no 0.001 0 0
1 133 GLN QE 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 133 GLN QG 33 no 100.0 100.0 2.347 2.347 0.000 12 1 no 0.000 0 0
1 134 GLU QB 126 no 5.0 96.4 0.011 0.012 0.000 4 0 no 0.091 0 0
1 134 GLU QG 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 ARG QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 ARG QD 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 ARG QG 16 no 100.0 100.0 0.569 0.569 0.000 15 2 no 0.008 0 0
1 137 ASN QD 115 no 100.0 100.0 2.259 2.259 0.000 5 0 no 0.007 0 0
1 138 SER QB 210 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 139 LEU QB 139 no 100.0 100.0 0.723 0.723 0.000 4 1 no 0.020 0 0
1 139 LEU QD 53 no 100.0 99.9 0.337 0.338 0.000 9 0 no 0.044 0 0
1 140 PHE QD 85 yes 100.0 100.0 22.223 22.223 0.000 7 1 no 0.020 0 0
1 140 PHE QE 143 yes 100.0 100.0 24.977 24.977 0.000 4 2 no 0.000 0 0
1 141 PRO QB 108 no 100.0 30.3 1.207 3.987 2.780 6 3 no 0.024 0 0
1 141 PRO QD 71 no 100.0 100.0 1.061 1.061 0.000 8 2 no 0.017 0 0
1 142 TYR QB 59 no 100.0 94.1 1.110 1.180 0.070 9 1 no 0.003 0 0
1 142 TYR QD 40 no 70.0 46.8 7.311 15.627 8.316 11 2 yes 3.598 31 35
1 142 TYR QE 63 no 70.0 11.4 0.636 5.572 4.936 9 4 yes 3.193 24 41
1 144 LEU QD 105 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.004 0 0
1 145 SER QB 10 no 100.0 100.0 1.645 1.645 0.000 18 6 no 0.004 0 0
1 146 GLU QG 70 no 100.0 100.0 4.049 4.049 0.000 8 2 no 0.009 0 0
1 147 VAL QG 80 no 30.0 100.0 0.083 0.083 0.000 8 4 no 0.002 0 0
1 148 VAL QG 26 no 100.0 100.0 6.820 6.820 0.000 13 2 no 0.000 0 0
1 149 HIS QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 ASN QB 50 no 100.0 100.0 1.467 1.467 0.000 10 6 no 0.002 0 0
1 151 ASN QD 42 no 100.0 100.0 8.016 8.016 0.000 11 3 no 0.014 0 0
1 153 GLU QB 98 no 100.0 100.0 1.764 1.764 0.000 6 0 no 0.001 0 0
1 153 GLU QG 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 154 VAL QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 155 VAL QG 41 no 100.0 0.0 0.000 0.000 0.000 11 3 no 0.006 0 0
1 156 ASP QB 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 158 SER QB 145 no 100.0 0.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 160 LYS QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 160 LYS QE 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 160 LYS QG 66 no 100.0 100.0 1.305 1.305 0.000 8 0 no 0.000 0 0
1 161 PHE QB 209 no 100.0 0.0 0.000 1.047 1.047 2 2 no 0.000 0 0
1 161 PHE QD 20 yes 100.0 98.9 86.346 87.342 0.995 15 5 yes 2.580 1 1
1 161 PHE QE 18 yes 100.0 99.8 111.034 111.250 0.215 15 4 no 0.012 0 0
1 163 MET QG 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.007 0 0
1 164 LEU QB 155 no 100.0 100.0 1.973 1.973 0.000 3 1 no 0.002 0 0
1 165 LEU QB 38 no 100.0 100.0 0.483 0.483 0.000 12 7 no 0.002 0 0
1 165 LEU QD 36 no 25.0 99.7 0.005 0.005 0.000 12 6 no 0.009 0 0
1 166 LYS QB 104 no 100.0 100.0 1.399 1.399 0.000 6 2 no 0.001 0 0
1 166 LYS QE 163 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 167 VAL QG 208 no 100.0 0.0 0.000 1.133 1.133 2 2 no 0.000 0 0
1 168 LYS QB 151 no 100.0 100.0 2.397 2.397 0.000 3 0 no 0.004 0 0
1 168 LYS QD 30 no 100.0 100.0 6.222 6.222 0.000 13 5 no 0.002 0 0
1 168 LYS QG 119 no 100.0 100.0 1.393 1.393 0.000 5 1 no 0.002 0 0
1 169 ARG QB 94 no 100.0 100.0 0.529 0.529 0.000 7 4 no 0.005 0 0
1 172 LYS QB 65 no 100.0 100.0 2.561 2.561 0.000 8 0 no 0.008 0 0
1 172 LYS QD 35 no 100.0 100.0 8.526 8.526 0.000 12 5 no 0.010 0 0
1 172 LYS QE 22 no 100.0 100.0 0.540 0.540 0.000 14 2 no 0.005 0 0
1 172 LYS QG 23 no 100.0 100.0 1.886 1.886 0.000 14 3 no 0.018 0 0
1 173 GLU QB 148 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.004 0 0
1 174 GLU QB 214 no 90.0 100.0 1.448 1.448 0.000 1 0 no 0.001 0 0
1 175 LYS QB 48 no 100.0 100.0 2.471 2.471 0.000 10 3 no 0.017 0 0
1 175 LYS QG 92 no 100.0 100.0 3.000 3.000 0.000 7 3 no 0.005 0 0
1 176 TYR QB 34 no 100.0 100.0 2.813 2.813 0.000 12 3 no 0.000 0 0
1 176 TYR QD 25 no 100.0 100.0 42.695 42.695 0.000 13 2 no 0.013 0 0
1 176 TYR QE 19 no 100.0 100.0 59.376 59.376 0.000 15 5 no 0.009 0 0
1 177 LYS QB 74 no 100.0 100.0 0.243 0.243 0.000 8 3 no 0.000 0 0
1 177 LYS QD 24 no 100.0 100.0 5.821 5.822 0.000 14 4 no 0.008 0 0
1 177 LYS QE 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 177 LYS QG 44 no 100.0 100.0 5.927 5.927 0.000 11 5 no 0.009 0 0
1 178 VAL QG 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
1 179 GLU QB 107 no 100.0 100.0 2.721 2.721 0.000 6 3 no 0.000 0 0
1 179 GLU QG 28 no 100.0 100.0 3.379 3.379 0.000 13 4 no 0.013 0 0
1 180 VAL QG 1 no 100.0 53.8 7.881 14.657 6.775 36 11 yes 2.266 3 3
1 181 HIS QB 58 no 100.0 100.0 5.077 5.077 0.000 9 1 no 0.020 0 0
1 182 LYS QB 142 no 100.0 0.0 0.000 0.602 0.602 4 2 no 0.003 0 0
1 182 LYS QD 91 no 100.0 99.5 5.061 5.087 0.026 7 3 no 0.005 0 0
1 182 LYS QE 207 no 100.0 0.0 0.000 0.067 0.067 2 2 no 0.000 0 0
1 182 LYS QG 206 no 100.0 0.0 0.000 0.469 0.469 2 2 no 0.000 0 0
1 185 GLU QG 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 186 GLU QG 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 188 GLY QA 158 no 95.0 80.6 2.958 3.671 0.713 3 3 no 0.000 0 0
1 189 PHE QB 45 no 100.0 99.2 3.037 3.060 0.023 11 6 no 0.005 0 0
1 189 PHE QD 32 no 95.0 94.7 44.873 47.362 2.488 13 6 yes 3.035 8 11
1 189 PHE QE 2 no 95.0 84.9 154.712 182.158 27.446 29 18 yes 3.640 20 24
1 190 ASN QB 147 no 100.0 100.0 2.139 2.139 0.000 4 4 no 0.002 0 0
1 190 ASN QD 17 no 100.0 95.9 4.614 4.812 0.197 15 4 yes 1.987 1 1
1 191 LEU QB 150 no 100.0 100.0 1.256 1.256 0.000 3 0 no 0.002 0 0
1 191 LEU QD 8 no 100.0 100.0 5.681 5.681 0.000 20 2 no 0.006 0 0
1 192 LYS QB 121 no 100.0 100.0 0.708 0.708 0.000 5 2 no 0.000 0 0
1 192 LYS QD 93 no 100.0 100.0 0.476 0.476 0.000 7 4 no 0.002 0 0
1 192 LYS QG 114 no 100.0 100.0 1.839 1.839 0.000 5 0 no 0.000 0 0
1 193 LYS QB 90 no 100.0 100.0 1.213 1.213 0.000 7 3 no 0.018 0 0
1 193 LYS QD 62 no 100.0 100.0 0.626 0.626 0.000 9 4 no 0.002 0 0
1 193 LYS QE 79 no 100.0 100.0 1.219 1.219 0.000 8 4 no 0.002 0 0
1 193 LYS QG 89 no 100.0 100.0 1.003 1.003 0.000 7 3 no 0.000 0 0
1 194 VAL QG 118 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 195 ASP QB 11 no 100.0 100.0 4.887 4.887 0.000 17 9 no 0.009 0 0
1 196 LEU QD 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 197 ASP QB 15 no 100.0 100.0 2.482 2.482 0.000 16 9 no 0.004 0 0
1 199 SER QB 123 no 100.0 100.0 0.293 0.293 0.000 4 0 no 0.001 0 0
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