NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
547534 |
2lnh   |
18165 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lnh
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 199
_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 1.114
_Stereo_assign_list.Total_e_high_states 477.937
_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 PHE QB 153 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.036 0 0
1 5 GLN QB 140 no 100.0 99.5 3.434 3.452 0.018 9 0 no 0.136 0 0
1 7 ILE QG 95 no 0.0 0.0 0.000 0.001 0.001 14 4 no 0.096 0 0
1 9 HIS QB 147 no 100.0 99.9 0.513 0.514 0.001 8 0 no 0.083 0 0
1 10 VAL QG 50 no 100.0 0.0 0.000 0.017 0.017 18 0 no 0.227 0 0
1 11 GLY QA 143 no 100.0 99.4 0.440 0.443 0.003 9 3 no 0.088 0 0
1 12 TRP QB 53 no 100.0 99.8 2.596 2.602 0.006 18 3 no 0.102 0 0
1 13 ASP QB 85 no 100.0 100.0 1.676 1.676 0.000 15 4 no 0.020 0 0
1 14 PRO QB 132 no 100.0 100.0 2.303 2.303 0.000 10 2 no 0.019 0 0
1 14 PRO QD 59 no 100.0 99.9 1.866 1.867 0.001 17 4 no 0.053 0 0
1 14 PRO QG 116 no 100.0 99.9 5.342 5.349 0.007 12 2 no 0.077 0 0
1 15 ASN QB 100 no 100.0 99.2 0.885 0.892 0.008 13 2 no 0.102 0 0
1 15 ASN QD 168 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 17 GLY QA 12 no 100.0 99.8 10.485 10.510 0.025 27 4 no 0.150 0 0
1 19 ASP QB 184 no 100.0 0.0 0.000 0.010 0.010 4 0 no 0.166 0 0
1 20 LEU QB 60 no 100.0 99.7 1.829 1.835 0.006 17 6 no 0.162 0 0
1 20 LEU QD 4 no 100.0 0.0 0.000 0.002 0.002 34 16 no 0.098 0 0
1 21 ASN QB 167 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.025 0 0
1 22 ASN QB 96 no 100.0 100.0 2.780 2.780 0.000 14 6 no 0.028 0 0
1 22 ASN QD 155 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 23 LEU QB 74 no 100.0 100.0 5.559 5.560 0.001 16 4 no 0.049 0 0
1 23 LEU QD 7 no 100.0 0.0 0.000 0.000 0.000 30 6 no 0.058 0 0
1 24 ASP QB 2 no 100.0 99.7 6.405 6.422 0.017 39 18 no 0.135 0 0
1 25 PRO QB 185 no 100.0 99.9 0.528 0.529 0.001 4 1 no 0.050 0 0
1 25 PRO QD 58 no 100.0 99.8 2.339 2.345 0.006 17 4 no 0.078 0 0
1 25 PRO QG 159 no 100.0 99.7 1.293 1.297 0.003 7 2 no 0.071 0 0
1 27 LEU QB 13 no 100.0 99.8 4.301 4.308 0.007 27 9 no 0.095 0 0
1 27 LEU QD 41 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.021 0 0
1 28 LYS QB 111 no 100.0 100.0 7.590 7.593 0.003 12 0 no 0.061 0 0
1 28 LYS QD 81 no 100.0 98.6 2.305 2.338 0.033 15 3 no 0.216 0 0
1 29 ASN QB 75 no 100.0 0.0 0.000 0.001 0.001 16 6 no 0.117 0 0
1 29 ASN QD 97 no 100.0 100.0 3.739 3.740 0.001 14 7 no 0.049 0 0
1 30 LEU QB 27 no 100.0 100.0 5.355 5.356 0.002 23 4 no 0.087 0 0
1 30 LEU QD 40 no 0.0 0.0 0.000 0.024 0.024 20 8 no 0.248 0 0
1 31 PHE QB 15 no 100.0 99.7 3.707 3.716 0.009 26 4 no 0.141 0 0
1 32 ASP QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 MET QB 129 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.047 0 0
1 33 MET QG 33 no 100.0 99.9 4.044 4.048 0.004 20 0 no 0.094 0 0
1 34 CYS QB 117 no 100.0 0.0 0.000 0.007 0.007 12 6 no 0.134 0 0
1 35 GLY QA 20 no 100.0 99.9 4.929 4.934 0.005 24 7 no 0.088 0 0
1 36 ILE QG 54 no 100.0 99.9 3.211 3.214 0.003 18 5 no 0.075 0 0
1 37 SER QB 164 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.048 0 0
1 38 GLU QB 102 no 100.0 100.0 2.283 2.284 0.000 13 4 no 0.041 0 0
1 38 GLU QG 137 no 100.0 0.0 0.000 0.006 0.006 10 6 no 0.162 0 0
1 40 GLN QB 14 no 100.0 99.8 5.107 5.119 0.012 26 3 no 0.125 0 0
1 40 GLN QE 131 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 40 GLN QG 90 no 5.0 0.0 0.000 0.002 0.002 14 0 no 0.074 0 0
1 41 LEU QB 16 no 100.0 99.1 1.184 1.195 0.011 26 10 no 0.127 0 0
1 41 LEU QD 39 no 100.0 0.0 0.000 0.007 0.007 20 8 no 0.201 0 0
1 42 LYS QB 166 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.021 0 0
1 42 LYS QE 136 no 100.0 0.0 0.000 0.006 0.006 10 4 no 0.100 0 0
1 42 LYS QG 150 no 100.0 0.0 0.000 0.004 0.004 8 2 no 0.081 0 0
1 43 ASP QB 24 no 100.0 99.8 5.825 5.837 0.012 23 1 no 0.102 0 0
1 44 ARG QB 158 no 100.0 99.9 3.693 3.698 0.005 7 0 no 0.105 0 0
1 44 ARG QG 78 no 100.0 99.9 2.064 2.065 0.002 15 0 no 0.070 0 0
1 45 GLU QB 183 no 100.0 100.0 3.297 3.298 0.000 4 0 no 0.039 0 0
1 45 GLU QG 157 no 100.0 99.4 1.512 1.521 0.009 7 0 no 0.123 0 0
1 47 SER QB 19 no 100.0 99.8 5.097 5.108 0.011 24 5 no 0.127 0 0
1 48 LYS QB 35 no 100.0 100.0 6.073 6.075 0.002 20 3 no 0.097 0 0
1 48 LYS QD 70 no 100.0 99.7 0.659 0.661 0.002 16 3 no 0.055 0 0
1 48 LYS QG 89 no 100.0 100.0 4.101 4.102 0.002 14 0 no 0.051 0 0
1 49 VAL QG 22 no 0.0 0.0 0.000 0.005 0.005 24 8 no 0.093 0 0
1 50 ILE QG 51 no 100.0 99.9 9.259 9.266 0.007 18 2 no 0.093 0 0
1 51 TYR QB 63 no 100.0 100.0 4.162 4.163 0.002 16 0 no 0.061 0 0
1 52 ASP QB 119 no 100.0 99.5 0.596 0.599 0.003 11 0 no 0.065 0 0
1 53 PHE QB 34 no 100.0 99.9 6.416 6.423 0.007 20 2 no 0.095 0 0
1 54 ILE QG 11 no 100.0 99.9 6.451 6.457 0.007 27 2 no 0.111 0 0
1 55 GLU QB 128 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 55 GLU QG 127 no 100.0 0.0 0.000 0.011 0.011 10 0 no 0.159 0 0
1 56 LYS QB 182 no 100.0 99.5 1.835 1.845 0.009 4 0 no 0.168 0 0
1 58 GLY QA 115 no 100.0 99.9 5.458 5.462 0.004 12 2 no 0.089 0 0
1 59 GLY QA 110 no 100.0 100.0 3.407 3.407 0.000 12 0 no 0.048 0 0
1 61 GLU QB 156 no 100.0 99.6 0.896 0.900 0.004 7 0 no 0.085 0 0
1 64 LYS QB 163 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.029 0 0
1 64 LYS QG 146 no 0.0 0.0 0.000 0.001 0.001 8 0 no 0.078 0 0
1 65 ASN QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.061 0 0
2 4 MET QG 181 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.105 0 0
2 7 GLN QG 162 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.043 0 0
2 8 LYS QB 80 no 100.0 100.0 6.094 6.094 0.000 15 1 no 0.059 0 0
2 8 LYS QG 109 no 100.0 100.0 3.307 3.308 0.001 12 0 no 0.076 0 0
2 9 VAL QG 1 no 100.0 100.0 37.158 37.164 0.006 39 3 no 0.095 0 0
2 10 LYS QB 108 no 100.0 99.9 1.398 1.399 0.001 12 0 no 0.060 0 0
2 10 LYS QG 130 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
2 12 ILE QG 52 no 100.0 100.0 1.865 1.866 0.000 18 3 no 0.038 0 0
2 13 PHE QB 17 no 100.0 99.9 8.738 8.749 0.011 26 11 no 0.114 0 0
2 14 PRO QB 126 no 100.0 100.0 4.900 4.900 0.000 10 0 no 0.014 0 0
2 14 PRO QD 104 no 100.0 100.0 4.996 4.996 0.000 13 6 no 0.024 0 0
2 14 PRO QG 125 no 100.0 100.0 3.035 3.035 0.000 10 0 no 0.000 0 0
2 15 HIS QB 114 no 100.0 99.9 3.613 3.618 0.005 12 2 no 0.091 0 0
2 18 GLY QA 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.030 0 0
2 19 SER QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 20 ASN QB 76 no 100.0 0.0 0.000 0.001 0.001 16 8 no 0.075 0 0
2 21 LYS QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 21 LYS QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 23 LEU QB 10 no 100.0 100.0 2.952 2.952 0.000 28 8 no 0.023 0 0
2 23 LEU QD 3 no 100.0 0.0 0.000 0.004 0.004 34 12 no 0.099 0 0
2 24 LEU QB 48 no 100.0 99.8 4.360 4.367 0.007 19 7 no 0.090 0 0
2 24 LEU QD 6 no 100.0 0.0 0.000 0.002 0.002 30 6 no 0.051 0 0
2 25 SER QB 161 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.043 0 0
2 26 PHE QB 84 no 100.0 100.0 2.439 2.439 0.000 15 4 no 0.009 0 0
2 28 GLN QB 46 no 100.0 99.8 7.211 7.222 0.012 19 5 no 0.115 0 0
2 28 GLN QE 179 no 100.0 100.0 3.109 3.110 0.001 4 0 no 0.042 0 0
2 28 GLN QG 69 no 100.0 99.9 4.244 4.247 0.003 16 3 no 0.058 0 0
2 29 GLY QA 83 no 100.0 100.0 6.995 6.996 0.001 15 4 no 0.052 0 0
2 30 ASP QB 73 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.040 0 0
2 31 VAL QG 187 no 100.0 0.0 0.000 0.015 0.015 4 2 no 0.147 0 0
2 32 ILE QG 49 no 100.0 99.7 4.353 4.365 0.012 18 0 no 0.115 0 0
2 34 LEU QB 113 no 100.0 100.0 1.619 1.619 0.000 12 2 no 0.008 0 0
2 34 LEU QD 152 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 35 LEU QB 151 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 35 LEU QD 98 no 100.0 0.0 0.000 0.003 0.003 14 8 no 0.074 0 0
2 36 ILE QG 56 no 100.0 99.7 4.100 4.112 0.013 18 8 no 0.108 0 0
2 37 PRO QD 92 no 100.0 99.9 3.360 3.365 0.005 14 3 no 0.073 0 0
2 38 GLU QG 160 no 100.0 0.0 0.000 0.006 0.006 6 0 no 0.098 0 0
2 39 GLU QG 61 no 100.0 99.0 4.680 4.725 0.045 17 7 no 0.157 0 0
2 41 ASP QB 91 no 100.0 99.4 2.656 2.673 0.017 14 1 no 0.100 0 0
2 42 GLY QA 72 no 100.0 99.3 5.534 5.574 0.040 16 4 no 0.147 0 0
2 43 TRP QB 18 no 100.0 99.7 6.441 6.460 0.018 25 3 no 0.149 0 0
2 44 LEU QB 67 no 100.0 99.9 2.358 2.360 0.003 16 2 no 0.075 0 0
2 44 LEU QD 149 no 0.0 0.0 0.000 0.030 0.030 8 2 no 0.247 0 0
2 45 TYR QB 31 no 100.0 99.8 4.686 4.694 0.008 21 5 no 0.108 0 0
2 46 GLY QA 5 no 100.0 99.9 6.316 6.324 0.008 30 5 no 0.168 0 0
2 47 GLU QB 101 no 100.0 100.0 1.715 1.715 0.000 13 4 no 0.020 0 0
2 48 HIS QB 94 no 100.0 0.0 0.000 0.018 0.018 14 4 no 0.163 0 0
2 49 ASP QB 44 no 100.0 100.0 4.342 4.343 0.001 19 2 no 0.048 0 0
2 50 VAL QG 107 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.034 0 0
2 51 SER QB 77 no 100.0 98.6 0.380 0.386 0.005 15 0 no 0.098 0 0
2 52 LYS QB 188 no 100.0 0.0 0.000 0.001 0.001 4 4 no 0.054 0 0
2 52 LYS QD 178 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.150 0 0
2 52 LYS QE 165 no 0.0 0.0 0.000 0.001 0.001 6 4 no 0.054 0 0
2 52 LYS QG 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.025 0 0
2 54 ARG QB 47 no 100.0 99.8 3.333 3.339 0.006 19 7 no 0.078 0 0
2 54 ARG QD 135 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.059 0 0
2 54 ARG QG 79 no 100.0 100.0 4.365 4.366 0.000 15 1 no 0.032 0 0
2 55 GLY QA 29 no 100.0 100.0 5.265 5.267 0.002 23 8 no 0.056 0 0
2 56 TRP QB 32 no 100.0 99.8 1.866 1.869 0.003 21 7 no 0.079 0 0
2 57 PHE QB 103 no 100.0 100.0 2.133 2.134 0.001 13 6 no 0.053 0 0
2 58 PRO QD 71 no 100.0 100.0 1.769 1.769 0.000 16 4 no 0.012 0 0
2 58 PRO QG 55 no 100.0 100.0 2.890 2.890 0.000 18 8 no 0.004 0 0
2 59 SER QB 45 no 100.0 98.7 2.401 2.432 0.032 19 3 no 0.254 0 0
2 60 SER QB 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.031 0 0
2 61 TYR QB 21 no 100.0 100.0 4.230 4.232 0.001 24 8 no 0.057 0 0
2 65 LEU QB 106 no 100.0 99.9 7.592 7.597 0.005 12 0 no 0.076 0 0
3 2 LEU QB 118 no 100.0 99.9 0.886 0.887 0.001 12 8 no 0.069 0 0
3 2 LEU QD 42 no 0.0 0.0 0.000 0.000 0.000 20 14 no 0.048 0 0
3 3 PRO QB 172 no 100.0 100.0 2.413 2.413 0.000 5 2 no 0.021 0 0
3 3 PRO QD 105 no 100.0 100.0 0.589 0.589 0.000 13 8 no 0.023 0 0
3 4 ASP QB 62 no 100.0 99.9 2.129 2.132 0.003 16 0 no 0.068 0 0
3 5 VAL QG 88 no 100.0 0.0 0.000 0.008 0.008 14 0 no 0.123 0 0
3 8 ARG QB 87 no 100.0 99.8 5.684 5.695 0.011 14 0 no 0.135 0 0
3 8 ARG QD 124 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.103 0 0
3 8 ARG QG 123 no 0.0 0.0 0.000 0.005 0.005 10 0 no 0.143 0 0
3 9 LEU QB 57 no 100.0 99.8 3.625 3.632 0.008 17 3 no 0.098 0 0
3 9 LEU QD 93 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.050 0 0
3 10 MET QB 171 no 100.0 100.0 0.782 0.782 0.000 5 0 no 0.033 0 0
3 10 MET QG 23 no 100.0 99.9 3.429 3.434 0.004 23 1 no 0.097 0 0
3 11 GLN QB 145 no 100.0 100.0 2.438 2.438 0.000 8 0 no 0.033 0 0
3 11 GLN QG 175 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.088 0 0
3 13 LEU QB 66 no 100.0 99.8 6.435 6.448 0.013 16 2 no 0.136 0 0
3 13 LEU QD 112 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.017 0 0
3 15 GLU QB 99 no 100.0 99.9 3.419 3.421 0.002 13 0 no 0.062 0 0
3 15 GLU QG 43 no 100.0 99.7 3.545 3.557 0.012 19 0 no 0.085 0 0
3 16 HIS QB 9 no 100.0 99.8 3.207 3.212 0.005 29 10 no 0.090 0 0
3 17 GLY QA 141 no 100.0 100.0 3.568 3.569 0.001 9 2 no 0.037 0 0
3 18 ILE QG 28 no 100.0 99.0 2.489 2.514 0.026 23 6 no 0.159 0 0
3 19 GLN QB 154 no 0.0 0.0 0.000 0.001 0.001 8 6 no 0.096 0 0
3 20 PRO QB 8 no 100.0 99.7 5.230 5.246 0.016 29 10 no 0.134 0 0
3 20 PRO QD 121 no 100.0 100.0 2.620 2.620 0.001 11 4 no 0.047 0 0
3 20 PRO QG 133 no 100.0 99.9 3.423 3.426 0.002 10 3 no 0.068 0 0
3 22 ARG QB 186 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
3 23 ASN QB 138 no 100.0 0.0 0.000 0.001 0.001 10 8 no 0.096 0 0
3 24 MET QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.025 0 0
3 24 MET QG 122 no 100.0 0.0 0.000 0.008 0.008 10 0 no 0.174 0 0
3 26 GLU QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
3 27 HIS QB 120 no 100.0 99.9 5.855 5.863 0.008 11 2 no 0.120 0 0
3 28 ILE QG 37 no 100.0 99.0 4.552 4.599 0.047 20 4 no 0.217 0 0
3 29 PRO QB 82 no 100.0 99.9 2.736 2.740 0.004 15 4 no 0.079 0 0
3 29 PRO QD 36 no 100.0 99.4 2.618 2.633 0.015 20 4 no 0.108 0 0
3 29 PRO QG 30 no 100.0 99.6 3.129 3.142 0.013 22 2 no 0.103 0 0
3 30 PRO QB 170 no 100.0 99.7 2.866 2.874 0.008 5 0 no 0.094 0 0
3 30 PRO QD 134 no 100.0 99.9 2.568 2.570 0.002 10 4 no 0.061 0 0
3 30 PRO QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
3 32 PRO QB 86 no 100.0 99.9 1.066 1.067 0.001 14 0 no 0.037 0 0
3 32 PRO QD 38 no 100.0 99.7 2.076 2.082 0.006 20 7 no 0.091 0 0
3 32 PRO QG 26 no 100.0 99.5 0.910 0.914 0.004 23 3 no 0.065 0 0
3 33 ASN QB 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.046 0 0
3 34 TRP QB 144 no 100.0 99.9 7.702 7.713 0.011 9 5 no 0.064 0 0
3 35 PRO QB 148 no 100.0 95.5 1.315 1.377 0.062 8 2 no 0.252 0 0
3 35 PRO QD 142 no 100.0 99.9 1.695 1.697 0.002 9 3 no 0.040 0 0
3 35 PRO QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.022 0 0
3 37 PRO QB 169 no 100.0 100.0 1.104 1.104 0.000 5 0 no 0.000 0 0
3 37 PRO QD 25 no 100.0 99.2 2.753 2.774 0.021 23 2 no 0.134 0 0
3 37 PRO QG 68 no 100.0 99.9 5.156 5.161 0.004 16 3 no 0.091 0 0
3 39 PRO QD 139 no 100.0 99.8 1.346 1.348 0.003 9 0 no 0.075 0 0
3 39 PRO QG 65 no 100.0 100.0 4.958 4.960 0.002 16 2 no 0.059 0 0
3 40 PRO QB 173 no 100.0 99.1 1.731 1.747 0.016 4 0 no 0.163 0 0
3 40 PRO QD 64 no 100.0 99.9 1.144 1.145 0.002 16 2 no 0.071 0 0
3 40 PRO QG 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
3 41 VAL QG 189 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.051 0 0
stop_
save_
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