NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442777 |
2kdd   |
16110 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kdd
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 180
_Stereo_assign_list.Swap_count 32
_Stereo_assign_list.Swap_percentage 17.8
_Stereo_assign_list.Deassign_count 20
_Stereo_assign_list.Deassign_percentage 11.1
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 19.758
_Stereo_assign_list.Total_e_high_states 327.776
_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 20 SER QB 132 no 100.0 0.0 0.000 0.000 0.000 11 0 no 0.000 0 0
1 21 LYS QB 130 yes 90.0 80.8 1.799 2.226 0.427 12 8 yes 1.309 1 4
1 21 LYS QD 129 no 90.0 63.6 0.145 0.229 0.083 12 8 no 0.912 0 1
1 21 LYS QE 162 no 40.0 61.4 0.262 0.427 0.165 7 6 no 0.856 0 3
1 21 LYS QG 78 no 70.0 96.2 0.185 0.193 0.007 17 10 no 0.271 0 0
1 22 GLU QB 58 no 70.0 49.4 0.465 0.942 0.477 18 6 no 0.574 0 1
1 22 GLU QG 90 no 20.0 84.3 0.138 0.163 0.026 15 4 no 0.294 0 0
1 23 ILE QG 14 no 100.0 100.0 0.717 0.717 0.000 29 11 no 0.000 0 0
1 24 PHE QB 18 yes 100.0 100.0 0.103 0.103 0.000 26 4 no 0.052 0 0
1 25 LEU QB 24 yes 100.0 86.3 7.007 8.119 1.112 26 16 no 0.031 0 0
1 25 LEU QD 6 no 100.0 97.9 8.589 8.770 0.180 39 23 no 0.055 0 0
1 27 VAL QG 8 no 100.0 99.8 16.351 16.376 0.025 38 20 no 0.507 0 1
1 28 PRO QB 94 no 40.0 100.0 0.014 0.014 0.000 14 5 no 0.000 0 0
1 28 PRO QD 2 no 30.0 100.0 0.213 0.213 0.000 47 16 no 0.000 0 0
1 28 PRO QG 100 no 90.0 86.2 0.000 0.000 0.000 14 8 no 0.050 0 0
1 29 VAL QG 10 no 100.0 96.6 9.016 9.331 0.315 34 13 no 0.031 0 0
1 30 GLY QA 164 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 32 GLY QA 176 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.026 0 0
1 33 GLU QB 112 yes 100.0 100.0 0.923 0.923 0.000 13 7 no 0.000 0 0
1 33 GLU QG 124 no 10.0 65.3 0.003 0.004 0.001 12 6 no 0.073 0 0
1 34 SER QB 20 yes 90.0 93.6 0.536 0.572 0.036 26 6 no 0.507 0 1
1 35 LEU QB 40 no 100.0 99.9 1.071 1.072 0.001 21 11 no 0.034 0 0
1 35 LEU QD 62 no 100.0 84.0 2.895 3.447 0.551 18 8 yes 1.273 4 5
1 36 ARG QB 138 no 100.0 100.0 1.109 1.109 0.000 11 5 no 0.000 0 0
1 36 ARG QD 38 no 20.0 84.8 0.000 0.000 0.000 21 10 no 0.000 0 0
1 36 ARG QG 50 no 70.0 99.4 0.210 0.211 0.001 19 6 yes 0.809 0 5
1 37 LEU QB 52 yes 100.0 100.0 2.093 2.093 0.000 19 8 no 0.015 0 0
1 37 LEU QD 28 no 100.0 100.0 9.081 9.084 0.003 24 11 no 0.015 0 0
1 38 LEU QB 22 no 100.0 90.5 10.691 11.817 1.126 26 7 yes 1.299 7 7
1 38 LEU QD 4 no 100.0 82.2 5.963 7.253 1.290 46 23 yes 1.259 7 9
1 40 SER QB 148 no 80.0 2.5 0.003 0.121 0.118 9 3 no 0.000 0 0
1 41 ASP QB 36 yes 100.0 100.0 0.480 0.480 0.000 22 8 no 0.015 0 0
1 42 LEU QB 74 yes 100.0 100.0 0.775 0.775 0.000 17 6 no 0.000 0 0
1 42 LEU QD 34 no 100.0 100.0 8.624 8.625 0.002 22 5 no 0.049 0 0
1 43 GLN QB 106 no 100.0 100.0 0.270 0.270 0.000 13 5 no 0.000 0 0
1 43 GLN QE 170 no 100.0 94.2 0.363 0.386 0.022 5 5 no 0.000 0 0
1 43 GLN QG 98 no 70.0 52.3 0.671 1.282 0.611 14 7 yes 0.995 0 9
1 44 ARG QB 108 no 20.0 14.7 0.009 0.060 0.051 13 6 no 0.521 0 1
1 44 ARG QD 168 no 80.0 51.2 0.070 0.136 0.066 5 4 no 0.521 0 1
1 44 ARG QG 150 no 70.0 84.8 0.089 0.105 0.016 9 6 no 0.387 0 0
1 45 HIS QB 118 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 46 SER QB 137 no 50.0 67.6 0.373 0.551 0.179 11 5 yes 1.091 1 5
1 47 ILE QG 120 no 100.0 100.0 2.667 2.667 0.000 12 2 no 0.014 0 0
1 49 GLN QB 142 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 49 GLN QE 161 no 100.0 0.0 0.000 0.000 0.000 7 6 no 0.302 0 0
1 49 GLN QG 61 no 30.0 96.5 0.096 0.099 0.003 18 8 no 0.748 0 2
1 50 LEU QB 56 no 100.0 100.0 3.057 3.057 0.000 18 4 no 0.012 0 0
1 50 LEU QD 33 no 100.0 100.0 11.140 11.140 0.000 22 5 no 0.006 0 0
1 51 ASP QB 49 no 70.0 74.1 0.195 0.263 0.068 19 6 yes 0.660 0 7
1 52 PRO QB 104 yes 100.0 100.0 0.180 0.180 0.000 14 10 no 0.000 0 0
1 52 PRO QD 42 no 100.0 99.9 1.294 1.294 0.001 21 12 no 0.056 0 0
1 52 PRO QG 86 yes 100.0 91.8 1.357 1.479 0.122 16 10 no 0.000 0 0
1 53 GLU QB 158 yes 100.0 100.0 0.578 0.578 0.000 7 2 no 0.000 0 0
1 53 GLU QG 134 no 30.0 63.9 0.086 0.135 0.049 11 4 no 0.480 0 0
1 55 LEU QB 157 no 100.0 100.0 1.336 1.336 0.000 7 2 no 0.002 0 0
1 55 LEU QD 82 no 100.0 100.0 1.168 1.168 0.000 16 5 no 0.000 0 0
1 56 GLY QA 126 yes 100.0 100.0 0.649 0.649 0.000 12 7 no 0.000 0 0
1 57 ASN QB 16 no 90.0 80.2 0.616 0.767 0.152 28 6 no 0.873 0 2
1 57 ASN QD 66 no 20.0 70.5 0.090 0.127 0.038 18 10 no 0.480 0 0
1 58 ILE QG 80 yes 100.0 99.4 0.165 0.166 0.001 16 0 no 0.042 0 0
1 59 LYS QB 114 no 100.0 96.4 7.983 8.283 0.300 13 8 no 0.004 0 0
1 59 LYS QD 92 yes 100.0 72.3 0.951 1.316 0.365 15 12 no 0.178 0 0
1 59 LYS QE 103 no 60.0 55.4 0.009 0.016 0.007 14 10 no 0.178 0 0
1 59 LYS QG 54 no 100.0 100.0 1.524 1.524 0.000 19 14 no 0.000 0 0
1 60 LYS QB 140 no 50.0 26.9 0.181 0.675 0.493 11 7 yes 0.860 0 10
1 60 LYS QD 111 no 70.0 44.0 0.024 0.055 0.031 13 7 no 0.315 0 0
1 60 LYS QE 154 no 50.0 77.9 0.446 0.572 0.126 8 5 no 0.642 0 1
1 60 LYS QG 97 no 50.0 77.8 0.214 0.275 0.061 14 7 yes 0.686 0 5
1 61 LEU QB 70 no 100.0 100.0 0.330 0.330 0.000 17 4 no 0.000 0 0
1 61 LEU QD 26 no 100.0 100.0 13.697 13.700 0.003 25 12 no 0.055 0 0
1 62 SER QB 76 no 80.0 78.1 0.422 0.541 0.119 17 9 no 0.714 0 2
1 63 ASN QB 30 no 60.0 54.0 0.071 0.132 0.061 23 8 no 0.394 0 0
1 63 ASN QD 152 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 64 ARG QB 65 no 100.0 100.0 0.175 0.175 0.000 18 10 no 0.000 0 0
1 64 ARG QD 44 no 80.0 78.6 0.199 0.253 0.054 20 8 no 0.559 0 1
1 64 ARG QG 46 yes 100.0 100.0 0.959 0.959 0.000 20 12 no 0.023 0 0
1 65 LEU QB 122 yes 100.0 100.0 0.493 0.493 0.000 12 4 no 0.000 0 0
1 65 LEU QD 12 no 100.0 95.5 9.258 9.698 0.441 30 15 no 0.176 0 0
1 67 GLN QB 69 no 90.0 78.5 0.227 0.289 0.062 17 4 no 0.280 0 0
1 67 GLN QE 178 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 67 GLN QG 84 no 80.0 75.1 0.047 0.062 0.016 16 8 no 0.280 0 0
1 68 ILE QG 88 no 90.0 82.2 0.219 0.266 0.047 15 0 no 0.680 0 1
1 69 CYS QB 72 no 60.0 49.5 0.092 0.185 0.094 17 5 no 0.741 0 1
1 70 SER QB 180 no 10.0 23.5 0.014 0.058 0.044 3 0 no 0.663 0 1
1 71 SER QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 72 ILE QG 117 no 60.0 65.7 0.299 0.455 0.156 12 0 no 0.675 0 4
1 73 ARG QB 146 no 70.0 81.1 0.075 0.092 0.017 10 6 no 0.655 0 2
1 73 ARG QD 167 no 70.0 70.0 0.078 0.112 0.033 5 4 no 0.655 0 2
1 73 ARG QG 145 no 70.0 1.8 0.000 0.019 0.019 10 6 no 0.252 0 0
1 75 HIS QB 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 20 SER QB 131 no 100.0 0.0 0.000 0.000 0.000 11 0 no 0.000 0 0
2 21 LYS QB 128 yes 90.0 80.8 1.799 2.226 0.427 12 8 yes 1.308 1 4
2 21 LYS QD 127 no 90.0 63.8 0.145 0.228 0.083 12 8 no 0.909 0 1
2 21 LYS QE 160 no 40.0 61.3 0.262 0.427 0.165 7 6 no 0.859 0 3
2 21 LYS QG 77 no 70.0 96.2 0.185 0.192 0.007 17 10 no 0.269 0 0
2 22 GLU QB 57 no 70.0 49.4 0.465 0.942 0.477 18 6 no 0.572 0 1
2 22 GLU QG 89 no 20.0 84.3 0.138 0.163 0.026 15 4 no 0.295 0 0
2 23 ILE QG 13 no 100.0 100.0 0.708 0.708 0.000 29 11 no 0.000 0 0
2 24 PHE QB 17 yes 100.0 100.0 0.103 0.103 0.000 26 4 no 0.053 0 0
2 25 LEU QB 23 yes 100.0 86.3 7.022 8.133 1.111 26 16 no 0.031 0 0
2 25 LEU QD 5 no 100.0 98.0 8.590 8.770 0.179 39 23 no 0.054 0 0
2 27 VAL QG 7 no 100.0 99.8 16.343 16.368 0.025 38 20 no 0.506 0 1
2 28 PRO QB 93 no 50.0 100.0 0.017 0.017 0.000 14 5 no 0.001 0 0
2 28 PRO QD 1 no 30.0 100.0 0.213 0.213 0.000 47 16 no 0.000 0 0
2 28 PRO QG 99 no 100.0 100.0 0.000 0.000 0.000 14 8 no 0.060 0 0
2 29 VAL QG 9 no 100.0 96.6 9.017 9.331 0.314 34 13 no 0.032 0 0
2 30 GLY QA 163 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
2 32 GLY QA 173 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.025 0 0
2 33 GLU QB 110 yes 100.0 100.0 0.923 0.923 0.000 13 7 no 0.000 0 0
2 33 GLU QG 123 no 10.0 66.2 0.003 0.004 0.001 12 6 no 0.071 0 0
2 34 SER QB 19 yes 90.0 93.6 0.534 0.571 0.036 26 6 no 0.506 0 1
2 35 LEU QB 39 no 100.0 99.9 1.071 1.072 0.001 21 11 no 0.035 0 0
2 35 LEU QD 60 no 100.0 84.0 2.896 3.447 0.551 18 8 yes 1.272 4 5
2 36 ARG QB 136 no 100.0 100.0 1.109 1.109 0.000 11 5 no 0.000 0 0
2 36 ARG QD 37 no 20.0 87.1 0.000 0.000 0.000 21 10 no 0.000 0 0
2 36 ARG QG 48 no 70.0 99.4 0.210 0.212 0.001 19 6 yes 0.809 0 5
2 37 LEU QB 51 yes 100.0 100.0 2.089 2.089 0.000 19 8 no 0.014 0 0
2 37 LEU QD 27 no 100.0 100.0 9.084 9.087 0.003 24 11 no 0.014 0 0
2 38 LEU QB 21 no 100.0 90.5 10.693 11.818 1.125 26 7 yes 1.300 7 7
2 38 LEU QD 3 no 100.0 82.2 5.961 7.250 1.290 46 23 yes 1.258 7 9
2 40 SER QB 147 no 80.0 2.6 0.003 0.121 0.117 9 3 no 0.000 0 0
2 41 ASP QB 35 yes 100.0 100.0 0.479 0.479 0.000 22 8 no 0.014 0 0
2 42 LEU QB 73 yes 100.0 100.0 0.787 0.787 0.000 17 6 no 0.000 0 0
2 42 LEU QD 32 no 100.0 100.0 8.626 8.627 0.001 22 5 no 0.042 0 0
2 43 GLN QB 105 no 100.0 100.0 0.271 0.271 0.000 13 5 no 0.000 0 0
2 43 GLN QE 169 no 100.0 94.1 0.364 0.386 0.023 5 5 no 0.000 0 0
2 43 GLN QG 96 no 70.0 52.3 0.671 1.283 0.612 14 7 yes 0.997 0 9
2 44 ARG QB 107 no 20.0 14.9 0.009 0.060 0.051 13 6 no 0.520 0 1
2 44 ARG QD 166 no 80.0 51.3 0.070 0.136 0.066 5 4 no 0.520 0 1
2 44 ARG QG 149 no 70.0 84.3 0.088 0.105 0.016 9 6 no 0.388 0 0
2 45 HIS QB 116 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
2 46 SER QB 135 no 50.0 67.5 0.371 0.551 0.179 11 5 yes 1.091 1 5
2 47 ILE QG 119 no 100.0 100.0 2.648 2.649 0.000 12 2 no 0.016 0 0
2 49 GLN QB 141 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
2 49 GLN QE 159 no 100.0 0.0 0.000 0.000 0.000 7 6 no 0.301 0 0
2 49 GLN QG 59 no 30.0 96.5 0.095 0.098 0.003 18 8 no 0.744 0 2
2 50 LEU QB 55 no 100.0 100.0 3.059 3.059 0.000 18 4 no 0.011 0 0
2 50 LEU QD 31 no 100.0 100.0 11.139 11.139 0.000 22 5 no 0.005 0 0
2 51 ASP QB 47 no 70.0 73.8 0.194 0.263 0.069 19 6 yes 0.661 0 7
2 52 PRO QB 102 yes 100.0 100.0 0.180 0.180 0.000 14 10 no 0.000 0 0
2 52 PRO QD 41 no 100.0 100.0 1.294 1.295 0.001 21 12 no 0.053 0 0
2 52 PRO QG 85 yes 100.0 91.7 1.354 1.477 0.122 16 10 no 0.000 0 0
2 53 GLU QB 156 yes 100.0 100.0 0.577 0.577 0.000 7 2 no 0.000 0 0
2 53 GLU QG 133 no 30.0 63.8 0.086 0.135 0.049 11 4 no 0.480 0 0
2 55 LEU QB 155 no 100.0 100.0 1.335 1.335 0.000 7 2 no 0.001 0 0
2 55 LEU QD 81 no 100.0 100.0 1.167 1.167 0.000 16 5 no 0.000 0 0
2 56 GLY QA 125 yes 100.0 100.0 0.652 0.652 0.000 12 7 no 0.000 0 0
2 57 ASN QB 15 no 90.0 80.4 0.617 0.768 0.151 28 6 no 0.871 0 2
2 57 ASN QD 64 no 20.0 70.5 0.090 0.127 0.038 18 10 no 0.480 0 0
2 58 ILE QG 79 yes 100.0 99.4 0.165 0.166 0.001 16 0 no 0.042 0 0
2 59 LYS QB 113 no 100.0 96.4 7.982 8.282 0.300 13 8 no 0.004 0 0
2 59 LYS QD 91 yes 100.0 72.2 0.955 1.323 0.368 15 12 no 0.179 0 0
2 59 LYS QE 101 no 70.0 53.5 0.008 0.016 0.007 14 10 no 0.179 0 0
2 59 LYS QG 53 no 100.0 100.0 1.524 1.524 0.000 19 14 no 0.000 0 0
2 60 LYS QB 139 no 50.0 26.8 0.181 0.675 0.494 11 7 yes 0.860 0 10
2 60 LYS QD 109 no 70.0 43.9 0.024 0.054 0.031 13 7 no 0.316 0 0
2 60 LYS QE 153 no 50.0 77.9 0.446 0.572 0.126 8 5 no 0.642 0 1
2 60 LYS QG 95 no 50.0 77.8 0.214 0.275 0.061 14 7 yes 0.686 0 5
2 61 LEU QB 68 no 100.0 100.0 0.330 0.330 0.000 17 4 no 0.000 0 0
2 61 LEU QD 25 no 100.0 100.0 13.771 13.775 0.004 25 12 no 0.054 0 0
2 62 SER QB 75 no 80.0 78.0 0.422 0.541 0.119 17 9 no 0.715 0 2
2 63 ASN QB 29 no 60.0 54.1 0.071 0.132 0.060 23 8 no 0.394 0 0
2 63 ASN QD 151 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 64 ARG QB 63 no 100.0 100.0 0.175 0.175 0.000 18 10 no 0.000 0 0
2 64 ARG QD 43 no 80.0 75.7 0.194 0.256 0.062 20 8 no 0.617 0 1
2 64 ARG QG 45 yes 100.0 100.0 0.957 0.957 0.000 20 12 no 0.022 0 0
2 65 LEU QB 121 yes 100.0 100.0 0.493 0.493 0.000 12 4 no 0.000 0 0
2 65 LEU QD 11 no 100.0 95.5 9.282 9.723 0.441 30 15 no 0.177 0 0
2 67 GLN QB 67 no 90.0 78.3 0.224 0.286 0.062 17 4 no 0.280 0 0
2 67 GLN QE 177 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 67 GLN QG 83 no 80.0 74.8 0.046 0.062 0.016 16 8 no 0.280 0 0
2 68 ILE QG 87 no 90.0 82.2 0.219 0.266 0.047 15 0 no 0.680 0 1
2 69 CYS QB 71 no 60.0 49.6 0.092 0.185 0.093 17 5 no 0.740 0 1
2 70 SER QB 179 no 10.0 22.9 0.013 0.057 0.044 3 0 no 0.663 0 1
2 71 SER QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 72 ILE QG 115 no 60.0 65.7 0.299 0.455 0.156 12 0 no 0.673 0 4
2 73 ARG QB 144 no 70.0 81.1 0.075 0.093 0.018 10 6 no 0.655 0 2
2 73 ARG QD 165 no 70.0 69.9 0.078 0.112 0.034 5 4 no 0.655 0 2
2 73 ARG QG 143 no 70.0 2.4 0.000 0.019 0.019 10 6 no 0.253 0 0
2 75 HIS QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
stop_
save_
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