NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590365 |
2mph   |
19551 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mph
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 226
_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 0.026
_Stereo_assign_list.Total_e_high_states 72.079
_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 VAL QG 24 no 100.0 52.5 0.000 0.000 0.000 32 9 no 0.015 0 0
1 6 PRO QD 34 no 100.0 37.2 0.000 0.000 0.000 21 6 no 0.016 0 0
1 6 PRO QG 44 no 95.0 99.9 0.009 0.009 0.000 15 1 no 0.007 0 0
1 7 GLN QB 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 GLN QE 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 GLN QG 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 8 ARG QB 66 no 75.0 100.0 0.131 0.131 0.000 11 0 no 0.004 0 0
1 8 ARG QD 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 10 TRP QB 61 no 15.0 63.8 0.000 0.000 0.000 12 4 no 0.015 0 0
1 12 VAL QG 30 no 100.0 61.7 0.000 0.000 0.000 23 13 no 0.012 0 0
1 13 GLU QG 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.028 0 0
1 14 GLN QB 78 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 15 LEU QB 83 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0
1 15 LEU QD 4 no 100.0 100.0 4.241 4.241 0.000 69 22 no 0.032 0 0
1 16 ARG QB 158 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 16 ARG QD 110 no 15.0 100.0 0.187 0.187 0.000 7 4 no 0.013 0 0
1 16 ARG QG 111 no 85.0 99.9 0.028 0.028 0.000 7 6 no 0.012 0 0
1 17 SER QB 37 no 90.0 100.0 0.565 0.565 0.000 17 3 no 0.016 0 0
1 20 LEU QB 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 LEU QD 5 no 100.0 100.0 1.463 1.463 0.000 68 18 no 0.019 0 0
1 21 PRO QB 226 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 21 PRO QD 105 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 21 PRO QG 157 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 22 LYS QG 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 LYS QB 96 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 23 LYS QG 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 ILE QG 60 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.005 0 0
1 26 ILE QG 109 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 28 PHE QB 48 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.033 0 0
1 29 LEU QB 53 no 100.0 0.0 0.000 0.000 0.000 13 6 no 0.020 0 0
1 29 LEU QD 9 no 100.0 100.0 2.569 2.570 0.000 50 22 no 0.033 0 0
1 30 GLN QB 122 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 30 GLN QE 33 no 45.0 99.5 0.006 0.006 0.000 21 6 no 0.013 0 0
1 30 GLN QG 63 no 55.0 99.9 0.062 0.062 0.000 12 6 no 0.018 0 0
1 31 GLU QB 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.012 0 0
1 31 GLU QG 150 no 65.0 100.0 0.628 0.628 0.000 4 0 no 0.004 0 0
1 32 HIS QB 95 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 33 GLY QA 28 no 100.0 0.0 0.000 0.000 0.000 23 8 no 0.017 0 0
1 34 SER QB 120 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 36 SER QB 149 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 37 PHE QB 59 no 50.0 99.9 0.061 0.062 0.000 12 4 no 0.015 0 0
1 38 LEU QB 45 no 35.0 100.0 0.008 0.008 0.000 15 4 no 0.000 0 0
1 38 LEU QD 2 no 100.0 100.0 0.780 0.780 0.000 70 31 no 0.018 0 0
1 40 GLU QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.013 0 0
1 41 HIS QB 58 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 42 LYS QB 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 LEU QB 29 no 100.0 0.0 0.000 0.000 0.000 23 12 no 0.004 0 0
1 43 LEU QD 8 no 100.0 100.0 2.007 2.008 0.000 51 20 no 0.018 0 0
1 44 LEU QB 77 no 100.0 100.0 0.000 0.000 0.000 10 4 no 0.041 0 0
1 44 LEU QD 26 no 100.0 0.0 0.000 0.000 0.000 26 6 no 0.028 0 0
1 45 GLY QA 57 no 75.0 100.0 0.045 0.045 0.000 12 4 no 0.000 0 0
1 46 ASN QB 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 ILE QG 106 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.009 0 0
1 48 LYS QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 48 LYS QG 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 50 VAL QG 19 no 100.0 100.0 0.635 0.635 0.000 38 11 no 0.001 0 0
1 55 ASN QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 55 ASN QD 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
1 56 LYS QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 56 LYS QE 94 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.008 0 0
1 56 LYS QG 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 HIS QB 40 no 100.0 99.7 0.091 0.092 0.000 16 2 no 0.022 0 0
1 59 LEU QB 41 no 100.0 0.0 0.000 0.001 0.001 16 4 no 0.032 0 0
1 59 LEU QD 22 no 100.0 100.0 2.235 2.235 0.000 35 5 no 0.024 0 0
1 60 VAL QG 17 no 100.0 100.0 2.563 2.563 0.000 41 16 no 0.010 0 0
1 63 TYR QB 51 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 64 ASN QB 99 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 64 ASN QD 79 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 65 HIS QB 73 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.007 0 0
1 66 LEU QB 56 no 95.0 100.0 0.043 0.043 0.000 12 4 no 0.008 0 0
1 66 LEU QD 1 no 100.0 100.0 4.741 4.741 0.000 74 19 no 0.027 0 0
1 67 PHE QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 GLU QB 119 no 20.0 99.7 0.006 0.006 0.000 6 0 no 0.018 0 0
1 68 GLU QG 93 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.005 0 0
1 70 LYS QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 LYS QG 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 ARG QB 128 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 71 ARG QD 98 no 95.0 0.0 0.000 0.000 0.000 8 2 no 0.013 0 0
1 71 ARG QG 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 PHE QB 50 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 73 LYS QB 92 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 74 GLY QA 147 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.033 0 0
1 78 ILE QG 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 80 LYS QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 VAL QG 54 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 83 GLU QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 GLU QG 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 85 VAL QG 108 no 50.0 100.0 0.064 0.064 0.000 7 0 no 0.000 0 0
1 87 ASN QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 VAL QG 91 no 10.0 100.0 0.001 0.001 0.000 8 0 no 0.000 0 0
1 89 LYS QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 LEU QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 LEU QD 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 91 ASN QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 GLU QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 PRO QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 PRO QD 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 100 SER QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 101 GLU QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 GLU QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 LEU QB 225 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 104 LEU QD 90 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 105 ASP QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 106 GLU QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 107 GLY QA 82 no 100.0 100.0 0.390 0.390 0.000 9 2 no 0.000 0 0
1 108 PRO QB 161 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 108 PRO QD 223 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 109 PRO QB 39 no 50.0 99.9 0.079 0.079 0.000 16 0 no 0.036 0 0
1 109 PRO QD 127 no 100.0 0.0 0.000 0.003 0.003 6 4 no 0.091 0 0
1 110 LYS QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 110 LYS QD 129 no 30.0 19.0 0.000 0.000 0.000 5 0 no 0.010 0 0
1 111 TYR QB 89 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 113 LYS QB 84 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.026 0 0
1 113 LYS QE 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 114 SER QB 76 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.003 0 0
1 115 VAL QG 32 no 30.0 99.9 0.062 0.062 0.000 22 0 no 0.023 0 0
1 116 LEU QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 116 LEU QD 21 no 65.0 100.0 4.543 4.543 0.000 37 14 no 0.024 0 0
1 117 LYS QB 162 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.012 0 0
1 118 LYS QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 GLY QA 107 no 100.0 100.0 1.033 1.033 0.000 7 0 no 0.029 0 0
1 120 ASP QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 123 ASN QB 88 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 123 ASN QD 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 125 PRO QB 69 no 100.0 0.0 0.000 0.000 0.000 11 8 no 0.000 0 0
1 125 PRO QD 124 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 125 PRO QG 52 no 100.0 0.0 0.000 0.000 0.000 14 11 no 0.003 0 0
1 127 LYS QG 126 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.002 0 0
1 128 GLY QA 100 no 35.0 100.0 0.080 0.080 0.000 8 3 no 0.017 0 0
1 129 ASP QB 62 no 100.0 100.0 0.076 0.076 0.000 12 6 no 0.000 0 0
1 130 VAL QG 16 no 95.0 99.4 0.402 0.404 0.002 41 13 no 0.068 0 0
1 131 VAL QG 6 no 100.0 99.9 1.099 1.100 0.002 62 30 no 0.037 0 0
1 132 HIS QB 74 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.007 0 0
1 133 CYS QB 43 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.017 0 0
1 134 TRP QB 87 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.037 0 0
1 135 TYR QB 156 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.046 0 0
1 137 GLY QA 47 no 30.0 98.7 0.057 0.058 0.001 14 0 no 0.037 0 0
1 139 LEU QB 117 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 139 LEU QD 15 no 100.0 100.0 3.082 3.082 0.000 41 12 no 0.007 0 0
1 140 GLN QB 224 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 140 GLN QG 104 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.005 0 0
1 141 ASP QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 142 GLY QA 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 144 VAL QG 35 no 25.0 99.7 0.045 0.046 0.000 20 0 no 0.022 0 0
1 145 PHE QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 146 ASP QB 86 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.002 0 0
1 148 ASN QB 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.011 0 0
1 148 ASN QD 46 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.017 0 0
1 149 ILE QG 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 150 GLN QE 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 158 ASN QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 ASN QD 115 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 160 LYS QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 160 LYS QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 PRO QB 67 no 100.0 0.0 0.000 0.000 0.000 11 3 no 0.000 0 0
1 161 PRO QG 103 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 162 LEU QB 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 162 LEU QD 25 no 100.0 100.0 7.164 7.165 0.000 28 9 no 0.016 0 0
1 163 SER QB 27 no 100.0 0.0 0.000 0.002 0.002 24 8 no 0.037 0 0
1 164 PHE QB 42 no 100.0 100.0 0.040 0.040 0.000 16 6 no 0.000 0 0
1 165 LYS QB 49 no 100.0 0.0 0.000 0.002 0.002 14 8 no 0.068 0 0
1 165 LYS QG 65 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.010 0 0
1 166 VAL QG 7 no 100.0 100.0 1.292 1.292 0.000 57 27 no 0.027 0 0
1 167 GLY QA 64 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 168 VAL QG 14 no 100.0 100.0 0.827 0.827 0.000 43 15 no 0.046 0 0
1 169 GLY QA 123 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.061 0 0
1 170 LYS QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 171 VAL QG 3 no 100.0 100.0 3.838 3.838 0.000 69 20 no 0.016 0 0
1 172 ILE QG 38 no 100.0 0.0 0.000 0.000 0.000 17 6 no 0.031 0 0
1 173 ARG QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 173 ARG QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 174 GLY QA 31 no 100.0 0.0 0.000 0.000 0.000 22 0 no 0.014 0 0
1 175 TRP QB 36 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.000 0 0
1 176 ASP QB 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 177 GLU QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 179 LEU QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 179 LEU QD 13 no 40.0 97.8 0.009 0.010 0.000 46 17 no 0.020 0 0
1 180 LEU QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 180 LEU QD 23 no 100.0 20.5 0.000 0.000 0.000 35 12 no 0.006 0 0
1 183 SER QB 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 184 LYS QD 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 185 GLY QA 176 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.052 0 0
1 186 GLU QB 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 187 LYS QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 187 LYS QE 222 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.003 0 0
1 187 LYS QG 155 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.003 0 0
1 189 ARG QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 189 ARG QD 102 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.017 0 0
1 189 ARG QG 173 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.077 0 0
1 190 LEU QD 11 no 100.0 100.0 1.821 1.822 0.001 47 7 no 0.033 0 0
1 191 GLU QB 68 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.011 0 0
1 193 GLU QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 194 PRO QD 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 194 PRO QG 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 196 TRP QB 72 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.006 0 0
1 198 TYR QB 81 no 20.0 100.0 0.032 0.032 0.000 9 0 no 0.003 0 0
1 199 GLY QA 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 201 LYS QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 202 GLY QA 71 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 203 GLN QB 80 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 203 GLN QE 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 203 GLN QG 70 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.013 0 0
1 204 PRO QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 204 PRO QD 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 207 LYS QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 208 ILE QG 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 209 PRO QD 75 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 209 PRO QG 125 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.006 0 0
1 210 PRO QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 210 PRO QD 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 210 PRO QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 211 ASN QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 211 ASN QD 85 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.004 0 0
1 213 LYS QE 160 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.002 0 0
1 213 LYS QG 159 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.005 0 0
1 214 LEU QB 97 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.012 0 0
1 214 LEU QD 18 no 100.0 100.0 5.593 5.593 0.000 40 2 no 0.036 0 0
1 216 PHE QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 217 GLU QG 55 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.120 0 0
1 218 VAL QG 12 no 100.0 100.0 12.244 12.245 0.001 46 13 no 0.120 0 0
1 219 GLU QG 154 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 220 LEU QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 220 LEU QD 10 no 100.0 100.0 3.062 3.063 0.001 49 12 no 0.038 0 0
1 221 VAL QG 20 no 100.0 100.0 2.014 2.014 0.000 37 13 no 0.020 0 0
1 222 ASP QB 101 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 223 ILE QG 153 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
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