NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512966 |
2lci   |
17613 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lci
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 230
_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 0.212
_Stereo_assign_list.Total_e_high_states 197.674
_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 226 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.181 0 0
1 2 LYS QE 230 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 3 ILE QG 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 LEU QB 42 no 100.0 99.8 1.322 1.324 0.002 18 7 no 0.134 0 0
1 4 LEU QD 19 no 100.0 99.9 4.505 4.510 0.006 29 5 no 0.231 0 0
1 5 ILE QG 35 no 100.0 100.0 0.413 0.413 0.000 19 1 no 0.059 0 0
1 6 LEU QB 38 no 100.0 100.0 0.026 0.026 0.000 19 9 no 0.000 0 0
1 6 LEU QD 11 no 100.0 99.9 5.358 5.361 0.003 40 17 no 0.120 0 0
1 7 ILE QG 60 no 100.0 100.0 0.755 0.755 0.000 15 7 no 0.000 0 0
1 8 ASN QB 58 no 80.0 99.5 0.127 0.128 0.001 16 8 no 0.108 0 0
1 8 ASN QD 63 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.091 0 0
1 10 ASN QB 119 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 10 ASN QD 151 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 11 ASN QB 78 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.067 0 0
1 11 ASN QD 103 no 85.0 100.0 1.186 1.186 0.000 9 5 no 0.054 0 0
1 12 ASP QB 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 13 GLU QB 121 no 100.0 100.0 0.009 0.009 0.000 7 2 no 0.000 0 0
1 13 GLU QG 100 no 100.0 99.8 0.219 0.219 0.000 9 2 no 0.083 0 0
1 14 LEU QB 43 no 60.0 100.0 0.364 0.364 0.000 18 9 no 0.019 0 0
1 14 LEU QD 5 no 100.0 100.0 14.242 14.243 0.001 48 26 no 0.075 0 0
1 15 ILE QG 52 no 100.0 100.0 0.129 0.129 0.000 16 1 no 0.000 0 0
1 16 LYS QB 137 no 100.0 100.0 0.013 0.013 0.000 6 0 no 0.000 0 0
1 16 LYS QD 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 LYS QE 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 LYS QG 110 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 17 LYS QB 49 no 100.0 100.0 0.969 0.969 0.000 17 8 no 0.000 0 0
1 17 LYS QD 32 no 100.0 99.5 0.117 0.117 0.001 21 12 no 0.065 0 0
1 17 LYS QE 229 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 17 LYS QG 70 no 100.0 100.0 0.916 0.916 0.000 13 5 no 0.000 0 0
1 18 ILE QG 56 no 100.0 99.6 0.616 0.618 0.003 16 7 no 0.097 0 0
1 19 LYS QB 28 no 100.0 100.0 0.202 0.202 0.000 23 13 no 0.035 0 0
1 19 LYS QD 118 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 19 LYS QE 57 no 100.0 0.0 0.000 0.001 0.001 16 8 no 0.131 0 0
1 19 LYS QG 147 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.071 0 0
1 20 LYS QB 146 no 100.0 100.0 0.265 0.265 0.000 6 2 no 0.000 0 0
1 20 LYS QD 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 LYS QE 150 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.011 0 0
1 20 LYS QG 82 no 95.0 100.0 0.079 0.079 0.000 11 2 no 0.000 0 0
1 21 GLU QB 136 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 21 GLU QG 102 no 95.0 99.9 0.046 0.046 0.000 9 3 no 0.026 0 0
1 22 VAL QG 17 no 100.0 100.0 0.949 0.949 0.000 33 9 no 0.031 0 0
1 24 ASN QB 95 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 25 GLN QB 99 no 45.0 100.0 0.048 0.048 0.000 9 2 no 0.000 0 0
1 25 GLN QE 59 no 100.0 98.0 0.219 0.223 0.004 15 6 no 0.215 0 0
1 25 GLN QG 117 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 27 TYR QB 145 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.115 0 0
1 28 GLN QB 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 28 GLN QG 109 no 0.0 0.0 0.000 0.000 0.000 8 0 no 0.059 0 0
1 29 VAL QG 22 no 100.0 99.9 0.464 0.465 0.001 27 11 no 0.071 0 0
1 30 ARG QB 144 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 30 ARG QD 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 30 ARG QG 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 ASP QB 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 32 VAL QG 4 no 100.0 100.0 8.608 8.611 0.003 48 16 no 0.139 0 0
1 33 ASN QB 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 ASN QD 183 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.260 0 0
1 34 ASP QB 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 SER QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 ASP QB 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 37 GLU QB 46 no 95.0 100.0 0.408 0.408 0.000 17 5 no 0.032 0 0
1 37 GLU QG 88 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 38 LEU QB 51 no 95.0 100.0 0.237 0.237 0.000 17 9 no 0.003 0 0
1 38 LEU QD 7 no 100.0 99.9 10.068 10.081 0.013 46 19 no 0.190 0 0
1 39 LYS QB 92 no 100.0 98.9 0.440 0.445 0.005 10 3 no 0.252 0 0
1 39 LYS QD 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 39 LYS QE 115 no 100.0 0.0 0.000 0.003 0.003 8 2 no 0.252 0 0
1 39 LYS QG 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 40 LYS QB 69 no 100.0 99.7 1.177 1.181 0.004 13 2 no 0.136 0 0
1 40 LYS QD 220 no 0.0 0.0 0.000 0.001 0.001 2 0 no 0.102 0 0
1 40 LYS QE 196 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 40 LYS QG 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 41 GLU QG 195 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.044 0 0
1 42 MET QB 143 no 100.0 0.0 0.000 0.005 0.005 6 2 no 0.169 0 0
1 42 MET QG 94 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.075 0 0
1 43 LYS QB 120 no 100.0 100.0 2.146 2.146 0.001 7 2 no 0.090 0 0
1 43 LYS QD 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 LYS QE 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 LYS QG 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 LYS QB 111 no 100.0 98.8 0.661 0.669 0.008 8 1 no 0.240 0 0
1 44 LYS QD 132 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.284 0 0
1 44 LYS QE 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 44 LYS QG 131 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 45 LEU QB 44 no 100.0 99.7 0.162 0.162 0.001 17 4 no 0.106 0 0
1 45 LEU QD 20 no 100.0 100.0 3.838 3.839 0.001 27 7 no 0.087 0 0
1 47 GLU QB 130 no 100.0 99.7 0.992 0.995 0.003 6 0 no 0.145 0 0
1 47 GLU QG 98 no 100.0 100.0 0.643 0.643 0.000 9 2 no 0.066 0 0
1 48 GLU QG 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 LYS QB 199 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 49 LYS QE 198 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 49 LYS QG 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 50 ASN QB 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 50 ASN QD 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 PHE QB 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 GLU QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 GLU QG 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 LYS QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 LYS QD 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.057 0 0
1 53 LYS QG 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 ILE QG 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 55 LEU QB 41 no 70.0 100.0 0.075 0.075 0.000 18 7 no 0.000 0 0
1 55 LEU QD 18 no 100.0 100.0 5.725 5.727 0.002 30 9 no 0.150 0 0
1 56 ILE QG 45 no 100.0 99.8 1.141 1.144 0.002 17 5 no 0.144 0 0
1 57 ILE QG 81 no 100.0 100.0 0.400 0.400 0.000 11 2 no 0.000 0 0
1 58 SER QB 25 no 75.0 98.0 0.225 0.229 0.005 24 10 no 0.147 0 0
1 59 ASN QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 ASN QD 207 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.113 0 0
1 60 ASP QB 66 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.000 0 0
1 61 LYS QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 61 LYS QD 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 LYS QG 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 GLN QB 152 no 100.0 100.0 0.226 0.226 0.000 5 0 no 0.000 0 0
1 62 GLN QG 194 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.072 0 0
1 63 LEU QB 23 no 90.0 100.0 0.333 0.333 0.000 25 13 no 0.004 0 0
1 63 LEU QD 3 no 100.0 99.9 10.811 10.818 0.007 52 17 no 0.129 0 0
1 64 LEU QB 27 no 85.0 100.0 0.092 0.092 0.000 23 12 no 0.024 0 0
1 64 LEU QD 16 no 100.0 100.0 13.338 13.340 0.003 35 16 no 0.108 0 0
1 65 LYS QB 91 no 100.0 99.8 0.365 0.365 0.001 10 3 no 0.097 0 0
1 65 LYS QD 90 no 100.0 100.0 0.802 0.802 0.000 10 3 no 0.043 0 0
1 65 LYS QE 228 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 65 LYS QG 55 no 40.0 99.2 0.019 0.020 0.000 16 5 no 0.055 0 0
1 66 GLU QB 75 no 95.0 100.0 0.313 0.313 0.000 12 4 no 0.000 0 0
1 66 GLU QG 50 no 100.0 99.1 0.671 0.677 0.006 17 9 no 0.190 0 0
1 67 MET QB 30 no 60.0 100.0 0.036 0.036 0.000 21 6 no 0.000 0 0
1 67 MET QG 40 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.058 0 0
1 68 LEU QB 65 no 100.0 100.0 0.387 0.387 0.000 14 6 no 0.000 0 0
1 68 LEU QD 6 no 100.0 99.9 4.982 4.986 0.004 47 19 no 0.222 0 0
1 69 GLU QB 101 no 95.0 100.0 1.082 1.082 0.000 9 3 no 0.000 0 0
1 69 GLU QG 89 no 100.0 99.8 1.400 1.402 0.003 10 3 no 0.130 0 0
1 70 LEU QB 74 no 100.0 98.7 0.407 0.412 0.005 12 4 no 0.216 0 0
1 70 LEU QD 26 no 100.0 99.9 5.248 5.253 0.006 23 8 no 0.169 0 0
1 71 ILE QG 61 no 55.0 100.0 0.018 0.018 0.000 14 1 no 0.000 0 0
1 72 SER QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 LYS QD 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 LYS QE 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 LYS QG 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 74 LEU QB 114 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 74 LEU QD 53 no 100.0 100.0 3.617 3.617 0.000 16 3 no 0.022 0 0
1 76 TYR QB 77 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.052 0 0
1 77 LYS QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 77 LYS QD 171 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.163 0 0
1 77 LYS QE 142 no 0.0 0.0 0.000 0.000 0.000 6 2 no 0.062 0 0
1 77 LYS QG 193 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.006 0 0
1 78 VAL QG 13 no 100.0 99.9 2.333 2.335 0.002 35 9 no 0.095 0 0
1 79 PHE QB 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 80 LEU QB 31 no 100.0 100.0 0.904 0.904 0.000 21 10 no 0.060 0 0
1 80 LEU QD 14 no 100.0 100.0 5.463 5.465 0.003 35 12 no 0.102 0 0
1 81 LEU QB 21 no 70.0 98.7 0.164 0.166 0.002 27 9 no 0.086 0 0
1 81 LEU QD 9 no 100.0 100.0 12.497 12.497 0.000 42 6 no 0.060 0 0
1 82 LEU QB 37 no 10.0 49.3 0.002 0.003 0.002 19 7 no 0.133 0 0
1 82 LEU QD 12 no 100.0 100.0 8.522 8.522 0.000 36 14 no 0.000 0 0
1 83 GLN QB 36 no 100.0 100.0 0.657 0.657 0.000 19 5 no 0.000 0 0
1 83 GLN QE 34 no 100.0 100.0 2.378 2.379 0.001 20 9 no 0.086 0 0
1 83 GLN QG 64 no 100.0 0.0 0.000 0.003 0.003 14 6 no 0.143 0 0
1 84 ASP QB 192 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.033 0 0
1 85 GLN QB 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 85 GLN QG 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 86 ASP QB 80 no 30.0 99.0 0.154 0.156 0.002 11 2 no 0.173 0 0
1 87 GLU QB 79 no 85.0 99.8 0.713 0.715 0.001 11 2 no 0.124 0 0
1 88 ASN QB 67 no 95.0 99.6 0.483 0.484 0.002 14 7 no 0.111 0 0
1 88 ASN QD 191 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 89 GLU QB 149 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 89 GLU QG 141 no 100.0 0.0 0.000 0.002 0.002 6 2 no 0.173 0 0
1 90 LEU QB 93 no 100.0 0.0 0.000 0.004 0.004 10 4 no 0.149 0 0
1 90 LEU QD 1 no 100.0 99.8 17.365 17.396 0.032 61 21 no 0.310 0 0
1 91 GLU QB 84 no 100.0 98.2 0.134 0.136 0.002 10 0 no 0.207 0 0
1 91 GLU QG 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 GLU QB 96 no 85.0 99.8 0.477 0.478 0.001 9 0 no 0.114 0 0
1 92 GLU QG 108 no 0.0 0.0 0.000 0.005 0.005 8 0 no 0.185 0 0
1 93 PHE QB 71 no 55.0 100.0 0.066 0.066 0.000 13 6 no 0.000 0 0
1 94 LYS QB 48 no 100.0 100.0 0.231 0.231 0.000 17 7 no 0.000 0 0
1 94 LYS QD 140 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 94 LYS QG 113 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.023 0 0
1 95 ARG QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 ARG QD 107 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 95 ARG QG 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 96 LYS QB 127 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.161 0 0
1 96 LYS QD 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 96 LYS QG 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 97 ILE QG 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 98 GLU QB 97 no 100.0 100.0 0.129 0.129 0.000 9 2 no 0.000 0 0
1 98 GLU QG 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 99 SER QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 GLN QB 106 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 100 GLN QE 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 100 GLN QG 125 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 102 TYR QB 227 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 103 GLU QB 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 103 GLU QG 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 104 VAL QG 8 no 100.0 99.9 2.864 2.867 0.003 44 14 no 0.198 0 0
1 105 ARG QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 105 ARG QD 105 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.027 0 0
1 105 ARG QG 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.089 0 0
1 106 LYS QB 87 no 75.0 94.1 0.016 0.017 0.001 10 2 no 0.090 0 0
1 106 LYS QD 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 106 LYS QE 190 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.034 0 0
1 106 LYS QG 189 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 107 VAL QG 2 no 100.0 100.0 10.118 10.119 0.001 54 17 no 0.142 0 0
1 109 ASP QB 33 no 95.0 97.7 0.043 0.044 0.001 20 8 no 0.141 0 0
1 110 ASP QB 76 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.065 0 0
1 111 GLU QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 111 GLU QG 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 GLU QB 47 no 95.0 99.7 0.604 0.606 0.002 17 6 no 0.132 0 0
1 112 GLU QG 62 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.136 0 0
1 114 LEU QB 39 no 100.0 99.8 1.309 1.312 0.003 18 6 no 0.097 0 0
1 114 LEU QD 15 no 100.0 100.0 3.328 3.329 0.001 35 15 no 0.094 0 0
1 115 LYS QB 122 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.016 0 0
1 115 LYS QD 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 LYS QE 148 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 115 LYS QG 116 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 116 ILE QG 83 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 117 VAL QG 10 no 100.0 100.0 7.847 7.847 0.000 40 9 no 0.028 0 0
1 118 ARG QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 ARG QD 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 ARG QG 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 GLU QB 73 no 100.0 99.9 0.273 0.274 0.000 12 4 no 0.055 0 0
1 119 GLU QG 139 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.072 0 0
1 120 PHE QB 68 no 100.0 100.0 0.581 0.581 0.000 13 2 no 0.030 0 0
1 121 MET QB 104 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 121 MET QG 112 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 122 GLN QB 153 no 30.0 100.0 0.021 0.021 0.000 5 1 no 0.000 0 0
1 122 GLN QG 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 123 LYS QB 29 no 100.0 100.0 1.658 1.658 0.000 21 6 no 0.000 0 0
1 123 LYS QD 54 no 100.0 99.5 0.139 0.139 0.001 16 5 no 0.083 0 0
1 123 LYS QE 197 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.045 0 0
1 123 LYS QG 86 no 100.0 100.0 0.047 0.047 0.000 10 2 no 0.000 0 0
1 125 GLY QA 85 no 45.0 100.0 0.174 0.174 0.000 10 2 no 0.000 0 0
1 127 LEU QB 72 no 95.0 100.0 0.213 0.213 0.000 12 4 no 0.031 0 0
1 127 LEU QD 24 no 100.0 100.0 0.905 0.905 0.000 24 8 no 0.028 0 0
1 128 GLU QB 188 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 128 GLU QG 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
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