NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
554845 |
2lyv   |
18728 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lyv
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 202
_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 0.522
_Stereo_assign_list.Total_e_high_states 313.450
_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 8 PRO QD 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 9 LYS QG 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 11 PRO QB 147 no 100.0 99.6 0.811 0.814 0.003 8 4 no 0.156 0 0
1 11 PRO QD 79 no 100.0 99.9 3.294 3.296 0.002 15 5 no 0.093 0 0
1 11 PRO QG 139 no 100.0 100.0 3.611 3.613 0.002 9 5 no 0.077 0 0
1 13 GLN QE 94 no 100.0 99.7 1.320 1.324 0.004 14 8 no 0.217 0 0
1 13 GLN QG 20 no 100.0 99.7 4.149 4.161 0.012 25 11 no 0.146 0 0
1 14 LEU QB 80 no 100.0 99.9 1.331 1.333 0.002 15 7 no 0.103 0 0
1 14 LEU QD 95 no 100.0 0.0 0.000 0.009 0.009 14 10 no 0.146 0 0
1 15 ARG QB 161 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 15 ARG QG 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 LYS QD 160 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 16 LYS QG 26 no 100.0 100.0 1.010 1.010 0.000 23 3 no 0.053 0 0
1 17 LEU QB 3 no 100.0 99.9 3.379 3.381 0.002 34 9 no 0.078 0 0
1 17 LEU QD 19 no 20.0 71.7 0.010 0.014 0.004 25 10 no 0.141 0 0
1 18 PHE QB 45 no 100.0 100.0 6.103 6.104 0.000 19 3 no 0.044 0 0
1 19 ILE QG 16 no 100.0 99.7 0.347 0.348 0.001 25 4 no 0.053 0 0
1 20 GLY QA 8 no 100.0 99.8 3.685 3.694 0.009 28 10 no 0.164 0 0
1 21 GLY QA 130 no 100.0 100.0 2.078 2.078 0.000 10 4 no 0.000 0 0
1 22 LEU QB 15 no 100.0 100.0 3.444 3.444 0.000 26 8 no 0.033 0 0
1 22 LEU QD 42 no 100.0 0.0 0.000 0.000 0.000 20 4 no 0.000 0 0
1 23 SER QB 129 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.080 0 0
1 24 PHE QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 GLU QB 159 no 100.0 100.0 0.651 0.651 0.000 6 0 no 0.066 0 0
1 25 GLU QG 158 no 100.0 98.6 0.238 0.242 0.003 6 0 no 0.196 0 0
1 28 ASP QB 120 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.050 0 0
1 29 GLU QB 136 no 100.0 100.0 0.614 0.614 0.000 9 0 no 0.000 0 0
1 29 GLU QG 119 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.036 0 0
1 31 LEU QB 41 no 100.0 100.0 0.209 0.209 0.000 20 4 no 0.000 0 0
1 31 LEU QD 110 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.062 0 0
1 32 ARG QB 50 no 100.0 100.0 1.932 1.932 0.000 19 5 no 0.019 0 0
1 32 ARG QD 77 no 100.0 99.7 2.171 2.179 0.007 15 4 no 0.141 0 0
1 32 ARG QG 91 no 100.0 99.9 2.847 2.850 0.003 14 4 no 0.096 0 0
1 33 SER QB 61 no 100.0 98.1 1.825 1.860 0.035 17 2 no 0.285 0 0
1 34 HIS QB 109 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 35 PHE QB 132 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 36 GLU QB 60 no 100.0 98.5 0.233 0.236 0.004 17 2 no 0.097 0 0
1 36 GLU QG 93 no 100.0 0.0 0.000 0.001 0.001 14 6 no 0.082 0 0
1 37 GLN QB 57 no 100.0 99.9 0.981 0.982 0.001 18 4 no 0.085 0 0
1 37 GLN QE 12 no 100.0 99.9 2.870 2.874 0.004 27 8 no 0.103 0 0
1 37 GLN QG 114 no 100.0 99.7 0.564 0.566 0.002 11 2 no 0.077 0 0
1 38 TRP QB 38 no 100.0 100.0 5.469 5.469 0.000 20 0 no 0.023 0 0
1 39 GLY QA 124 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 41 LEU QB 18 no 100.0 100.0 2.239 2.239 0.000 25 7 no 0.065 0 0
1 41 LEU QD 4 no 100.0 0.0 0.000 0.002 0.002 34 12 no 0.095 0 0
1 43 ASP QB 44 no 100.0 99.3 1.921 1.934 0.014 19 0 no 0.172 0 0
1 44 CYS QB 165 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 45 VAL QG 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.050 0 0
1 46 VAL QG 68 no 100.0 0.0 0.000 0.003 0.003 16 0 no 0.097 0 0
1 47 MET QB 10 no 100.0 98.3 2.190 2.229 0.039 27 6 no 0.271 0 0
1 47 MET QG 6 no 100.0 99.9 5.115 5.117 0.003 29 5 no 0.129 0 0
1 48 ARG QB 51 no 100.0 100.0 10.410 10.414 0.004 19 6 no 0.102 0 0
1 48 ARG QD 198 no 100.0 0.0 0.000 0.008 0.008 2 0 no 0.349 0 0
1 48 ARG QG 53 no 100.0 100.0 1.141 1.142 0.000 18 0 no 0.061 0 0
1 49 ASP QB 49 no 100.0 98.6 0.586 0.595 0.008 19 5 no 0.137 0 0
1 50 PRO QB 188 no 100.0 99.9 0.840 0.841 0.000 4 1 no 0.061 0 0
1 50 PRO QD 100 no 100.0 99.9 1.997 2.000 0.003 13 5 no 0.125 0 0
1 50 PRO QG 146 no 100.0 100.0 3.148 3.148 0.000 8 4 no 0.023 0 0
1 51 ASN QB 92 no 100.0 100.0 1.024 1.024 0.000 14 5 no 0.015 0 0
1 51 ASN QD 131 no 100.0 96.7 0.420 0.434 0.014 10 5 no 0.140 0 0
1 53 LYS QB 81 no 100.0 100.0 0.796 0.796 0.000 15 8 no 0.052 0 0
1 53 LYS QD 66 no 100.0 99.9 6.463 6.472 0.009 17 6 no 0.121 0 0
1 53 LYS QG 78 no 100.0 100.0 3.301 3.302 0.001 15 5 no 0.092 0 0
1 54 ARG QB 164 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.040 0 0
1 55 SER QB 157 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 56 ARG QB 105 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 56 ARG QD 11 no 100.0 99.8 5.663 5.674 0.012 27 8 no 0.129 0 0
1 56 ARG QG 156 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.014 0 0
1 57 GLY QA 128 no 100.0 100.0 0.124 0.124 0.000 10 4 no 0.007 0 0
1 58 PHE QB 37 no 100.0 99.7 0.859 0.862 0.003 21 6 no 0.099 0 0
1 59 GLY QA 14 no 100.0 100.0 2.275 2.275 0.000 26 8 no 0.038 0 0
1 60 PHE QB 56 no 100.0 100.0 0.814 0.814 0.000 18 4 no 0.037 0 0
1 61 VAL QG 1 no 100.0 100.0 64.833 64.839 0.005 68 16 no 0.094 0 0
1 63 TYR QB 40 no 100.0 100.0 2.809 2.809 0.000 20 3 no 0.041 0 0
1 66 VAL QG 86 no 100.0 0.0 0.000 0.001 0.001 14 2 no 0.058 0 0
1 67 GLU QB 63 no 100.0 99.9 0.781 0.782 0.001 17 3 no 0.068 0 0
1 67 GLU QG 65 no 100.0 99.0 0.601 0.607 0.006 17 5 no 0.147 0 0
1 68 GLU QB 62 no 100.0 100.0 0.442 0.442 0.000 17 3 no 0.027 0 0
1 68 GLU QG 155 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.110 0 0
1 69 VAL QG 2 no 100.0 100.0 29.037 29.046 0.010 42 9 no 0.147 0 0
1 70 ASP QB 75 no 100.0 99.9 1.900 1.902 0.002 15 1 no 0.110 0 0
1 73 MET QB 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 MET QG 64 no 100.0 99.9 0.984 0.985 0.001 17 4 no 0.092 0 0
1 74 ASN QB 144 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.022 0 0
1 74 ASN QD 88 no 100.0 99.8 1.801 1.805 0.004 14 3 no 0.106 0 0
1 76 ARG QG 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 77 PRO QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 77 PRO QD 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.028 0 0
1 78 HIS QB 33 no 100.0 100.0 0.514 0.514 0.000 21 2 no 0.013 0 0
1 79 LYS QB 84 no 100.0 100.0 0.750 0.750 0.000 14 1 no 0.009 0 0
1 79 LYS QG 32 no 100.0 99.7 4.632 4.645 0.012 22 5 no 0.163 0 0
1 80 VAL QG 23 no 0.0 0.0 0.000 0.000 0.000 24 4 no 0.041 0 0
1 81 ASP QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 GLY QA 116 no 100.0 100.0 0.847 0.848 0.000 11 3 no 0.046 0 0
1 83 ARG QB 31 no 100.0 99.8 0.255 0.255 0.000 22 5 no 0.070 0 0
1 83 ARG QG 154 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.055 0 0
1 84 VAL QG 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 85 VAL QG 102 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.022 0 0
1 86 GLU QB 43 no 100.0 99.0 0.970 0.980 0.010 20 5 no 0.164 0 0
1 87 PRO QB 55 no 100.0 99.9 2.885 2.886 0.001 18 4 no 0.079 0 0
1 87 PRO QG 34 no 100.0 99.8 2.286 2.290 0.004 21 3 no 0.108 0 0
1 88 LYS QB 30 no 100.0 100.0 3.451 3.452 0.002 22 3 no 0.084 0 0
1 88 LYS QD 67 no 0.0 0.0 0.000 0.019 0.019 16 0 no 0.165 0 0
1 89 ARG QB 153 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 89 ARG QG 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 VAL QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.016 0 0
1 93 ARG QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.055 0 0
1 94 GLU QB 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 ASP QB 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.020 0 0
1 97 GLN QB 163 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.007 0 0
1 97 GLN QE 138 no 100.0 100.0 1.811 1.811 0.001 9 2 no 0.071 0 0
1 98 ARG QB 123 no 100.0 0.0 0.000 0.009 0.009 10 2 no 0.159 0 0
1 99 PRO QB 202 no 100.0 100.0 0.077 0.077 0.000 1 0 no 0.000 0 0
1 99 PRO QD 113 no 100.0 99.5 1.889 1.898 0.009 11 2 no 0.159 0 0
1 99 PRO QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 100 GLY QA 145 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.005 0 0
1 103 LEU QB 127 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 103 LEU QD 133 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.005 0 0
1 105 VAL QG 104 no 100.0 0.0 0.000 0.001 0.001 12 2 no 0.089 0 0
1 106 LYS QD 98 no 100.0 99.9 7.054 7.059 0.005 13 4 no 0.105 0 0
1 106 LYS QG 48 no 100.0 100.0 0.783 0.783 0.000 19 4 no 0.000 0 0
1 107 LYS QB 118 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.004 0 0
1 108 ILE QG 108 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 109 PHE QB 22 no 100.0 100.0 3.042 3.042 0.000 24 4 no 0.000 0 0
1 110 VAL QG 82 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.000 0 0
1 111 GLY QA 24 no 100.0 99.8 0.859 0.862 0.002 24 5 no 0.082 0 0
1 112 GLY QA 187 no 100.0 100.0 0.405 0.405 0.000 4 1 no 0.010 0 0
1 118 GLU QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.030 0 0
1 118 GLU QG 142 no 0.0 0.0 0.000 0.002 0.002 8 0 no 0.108 0 0
1 119 GLU QB 152 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.093 0 0
1 120 HIS QB 201 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 121 HIS QB 59 no 100.0 100.0 1.095 1.095 0.000 17 0 no 0.069 0 0
1 122 LEU QB 126 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 122 LEU QD 71 no 100.0 0.0 0.000 0.014 0.014 16 4 no 0.187 0 0
1 123 ARG QB 36 no 100.0 99.9 1.997 1.999 0.002 21 5 no 0.073 0 0
1 123 ARG QD 28 no 100.0 99.5 2.496 2.507 0.012 23 5 no 0.113 0 0
1 123 ARG QG 69 no 100.0 100.0 4.417 4.418 0.000 16 2 no 0.085 0 0
1 124 ASP QB 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 125 TYR QB 90 no 100.0 98.7 0.885 0.896 0.011 14 4 no 0.171 0 0
1 126 PHE QB 9 no 100.0 100.0 1.493 1.493 0.000 27 6 no 0.035 0 0
1 127 GLU QB 47 no 100.0 99.6 1.678 1.686 0.007 19 4 no 0.113 0 0
1 127 GLU QG 177 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.078 0 0
1 128 GLN QB 107 no 100.0 100.0 0.202 0.202 0.000 12 4 no 0.013 0 0
1 128 GLN QE 99 no 100.0 99.9 0.697 0.697 0.001 13 5 no 0.123 0 0
1 128 GLN QG 106 no 100.0 99.7 3.347 3.358 0.011 12 3 no 0.171 0 0
1 129 TYR QB 125 no 100.0 100.0 1.260 1.260 0.000 10 3 no 0.000 0 0
1 130 GLY QA 117 no 100.0 100.0 0.080 0.080 0.000 10 0 no 0.000 0 0
1 131 LYS QG 58 no 100.0 99.9 2.379 2.381 0.002 18 6 no 0.070 0 0
1 132 ILE QG 27 no 100.0 100.0 1.683 1.683 0.000 23 4 no 0.018 0 0
1 133 GLU QG 7 no 100.0 99.8 2.019 2.023 0.004 28 5 no 0.101 0 0
1 134 VAL QG 151 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.100 0 0
1 135 ILE QG 83 no 100.0 100.0 0.685 0.685 0.000 14 1 no 0.000 0 0
1 136 GLU QB 54 no 100.0 96.5 0.651 0.675 0.024 18 3 no 0.207 0 0
1 136 GLU QG 176 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.104 0 0
1 137 ILE QG 135 no 100.0 100.0 1.209 1.209 0.000 9 0 no 0.018 0 0
1 138 MET QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 138 MET QG 150 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.041 0 0
1 140 ASP QB 141 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.100 0 0
1 143 SER QB 174 no 0.0 0.0 0.000 0.004 0.004 4 0 no 0.164 0 0
1 144 GLY QA 148 no 100.0 100.0 0.369 0.369 0.000 7 0 no 0.000 0 0
1 145 LYS QB 134 no 100.0 100.0 0.272 0.272 0.000 9 0 no 0.018 0 0
1 146 LYS QG 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 147 ARG QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 PHE QB 166 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 151 PHE QB 70 no 100.0 100.0 0.354 0.354 0.000 16 3 no 0.000 0 0
1 152 VAL QG 73 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 154 PHE QB 87 no 100.0 100.0 3.710 3.710 0.000 14 3 no 0.000 0 0
1 155 ASP QB 5 no 100.0 99.9 3.886 3.890 0.004 33 10 no 0.070 0 0
1 156 ASP QB 115 no 100.0 99.8 1.042 1.044 0.002 11 3 no 0.108 0 0
1 157 HIS QB 13 no 100.0 99.7 1.985 1.990 0.006 26 6 no 0.123 0 0
1 158 ASP QB 101 no 100.0 0.0 0.000 0.002 0.002 12 0 no 0.094 0 0
1 159 SER QB 140 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 160 VAL QG 52 no 100.0 0.0 0.000 0.000 0.000 18 0 no 0.000 0 0
1 161 ASP QB 162 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 162 LYS QD 96 no 100.0 100.0 1.312 1.312 0.000 13 1 no 0.000 0 0
1 162 LYS QG 29 no 100.0 100.0 2.569 2.570 0.001 22 3 no 0.077 0 0
1 163 ILE QG 21 no 100.0 99.8 0.294 0.294 0.001 24 3 no 0.064 0 0
1 164 VAL QG 143 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 165 ILE QG 39 no 100.0 99.9 3.559 3.563 0.004 20 3 no 0.123 0 0
1 166 GLN QE 89 no 100.0 100.0 2.820 2.820 0.000 14 4 no 0.000 0 0
1 166 GLN QG 35 no 100.0 99.9 1.893 1.894 0.002 21 5 no 0.062 0 0
1 167 LYS QB 74 no 100.0 99.9 3.357 3.359 0.002 15 1 no 0.086 0 0
1 167 LYS QG 25 no 100.0 99.9 3.115 3.118 0.002 23 3 no 0.080 0 0
1 168 TYR QB 137 no 100.0 99.7 0.678 0.680 0.002 9 2 no 0.073 0 0
1 169 HIS QB 76 no 100.0 99.9 1.464 1.465 0.001 15 2 no 0.107 0 0
1 171 VAL QG 103 no 100.0 0.0 0.000 0.001 0.001 12 2 no 0.100 0 0
1 172 ASN QB 171 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.213 0 0
1 175 ASN QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 176 CYS QB 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 177 GLU QG 112 no 100.0 99.2 0.752 0.758 0.006 11 2 no 0.115 0 0
1 178 VAL QG 85 no 100.0 0.0 0.000 0.011 0.011 14 2 no 0.171 0 0
1 179 ARG QB 17 no 100.0 99.6 2.527 2.537 0.009 25 7 no 0.126 0 0
1 179 ARG QD 72 no 100.0 99.9 1.866 1.867 0.001 16 5 no 0.056 0 0
1 179 ARG QG 46 no 100.0 100.0 0.961 0.961 0.000 19 4 no 0.000 0 0
1 180 LYS QB 111 no 100.0 99.9 1.000 1.001 0.001 11 2 no 0.070 0 0
1 180 LYS QD 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 180 LYS QG 97 no 100.0 100.0 0.364 0.364 0.000 13 2 no 0.000 0 0
1 182 LEU QD 149 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.069 0 0
1 183 SER QB 168 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.213 0 0
1 185 GLN QE 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.027 0 0
1 187 MET QB 122 no 100.0 99.9 2.309 2.312 0.003 10 2 no 0.131 0 0
1 187 MET QG 121 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
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