NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549148 |
2llu   |
18089 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2llu
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 190
_Stereo_assign_list.Swap_count 20
_Stereo_assign_list.Swap_percentage 10.5
_Stereo_assign_list.Deassign_count 45
_Stereo_assign_list.Deassign_percentage 23.7
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 232.147
_Stereo_assign_list.Total_e_high_states 724.475
_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 3 GLU QG 50 no 100.0 38.1 2.157 5.661 3.504 14 5 yes 1.973 25 28
1 4 LEU QB 118 no 100.0 57.1 3.849 6.740 2.891 7 3 yes 1.160 6 20
1 4 LEU QD 18 no 95.0 27.9 2.035 7.305 5.270 28 12 yes 1.311 38 128
1 5 GLU QG 82 no 25.0 75.6 0.037 0.049 0.012 9 2 no 0.359 0 0
1 8 MET QB 190 no 100.0 100.0 0.160 0.160 0.000 1 1 no 0.000 0 0
1 8 MET QG 106 no 75.0 79.1 0.460 0.582 0.122 8 2 no 0.508 0 2
1 9 GLU QB 128 no 100.0 100.0 0.155 0.155 0.000 6 0 no 0.000 0 0
1 9 GLU QG 68 no 100.0 97.4 2.288 2.350 0.062 11 1 no 0.323 0 0
1 11 LEU QD 14 no 100.0 99.7 6.723 6.743 0.019 30 5 no 0.144 0 0
1 12 ILE QG 140 no 100.0 100.0 1.551 1.551 0.000 5 0 no 0.000 0 0
1 13 ASN QB 105 no 100.0 100.0 0.974 0.974 0.000 8 2 no 0.000 0 0
1 13 ASN QD 44 no 100.0 51.8 0.168 0.324 0.156 15 6 no 0.380 0 0
1 14 VAL QG 16 yes 75.0 9.5 0.471 4.936 4.465 30 10 yes 1.365 53 62
1 15 PHE QB 67 no 85.0 100.0 0.009 0.009 0.000 11 1 no 0.000 0 0
1 16 HIS QB 114 no 100.0 99.9 0.667 0.668 0.001 7 0 no 0.082 0 0
1 18 HIS QB 62 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 21 LYS QB 166 no 100.0 100.0 0.737 0.737 0.000 3 0 no 0.000 0 0
1 22 GLU QB 127 no 75.0 100.0 0.192 0.192 0.000 6 0 no 0.000 0 0
1 23 GLY QA 139 no 75.0 100.0 0.003 0.003 0.000 5 0 no 0.000 0 0
1 26 TYR QB 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 27 LYS QB 144 no 45.0 100.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 27 LYS QD 110 no 100.0 100.0 0.348 0.348 0.000 8 3 no 0.000 0 0
1 27 LYS QE 152 no 30.0 100.0 0.008 0.008 0.000 5 3 no 0.000 0 0
1 27 LYS QG 98 no 100.0 100.0 1.045 1.045 0.000 8 1 no 0.000 0 0
1 28 LEU QB 48 no 100.0 99.3 1.942 1.956 0.014 14 4 no 0.158 0 0
1 28 LEU QD 6 no 100.0 0.0 0.000 0.573 0.573 43 12 no 0.765 0 19
1 29 SER QB 90 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 30 LYS QB 40 no 60.0 100.0 0.006 0.006 0.000 15 3 no 0.000 0 0
1 30 LYS QD 97 yes 100.0 99.0 0.296 0.299 0.003 8 1 no 0.152 0 0
1 31 LYS QB 174 no 100.0 100.0 1.333 1.333 0.000 3 1 no 0.000 0 0
1 32 GLU QB 88 no 100.0 100.0 3.001 3.001 0.000 9 3 no 0.000 0 0
1 33 LEU QB 134 no 100.0 99.6 0.441 0.443 0.002 6 1 no 0.076 0 0
1 33 LEU QD 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 LYS QG 122 no 90.0 35.6 0.236 0.662 0.427 7 5 yes 1.141 1 3
1 35 GLU QG 183 no 75.0 17.2 0.001 0.004 0.003 2 0 no 0.143 0 0
1 36 LEU QB 173 no 100.0 100.0 0.501 0.501 0.000 3 1 no 0.000 0 0
1 36 LEU QD 20 no 100.0 92.2 19.427 21.079 1.651 25 6 no 0.756 0 6
1 37 LEU QB 117 no 70.0 3.6 0.137 3.771 3.634 7 3 yes 1.513 20 21
1 37 LEU QD 28 yes 90.0 80.1 27.653 34.518 6.865 19 8 yes 2.134 66 113
1 38 GLN QB 120 no 100.0 89.9 5.028 5.596 0.568 7 4 no 0.623 0 2
1 38 GLN QE 76 no 100.0 58.5 0.986 1.684 0.698 10 6 no 0.654 0 6
1 38 GLN QG 42 no 100.0 24.1 2.147 8.893 6.747 15 5 yes 2.617 27 45
1 40 GLU QB 165 no 100.0 100.0 1.151 1.151 0.000 3 0 no 0.000 0 0
1 40 GLU QG 87 no 10.0 100.0 0.000 0.000 0.000 9 3 no 0.000 0 0
1 41 LEU QB 38 no 100.0 0.0 0.000 0.427 0.427 16 10 no 0.029 0 0
1 41 LEU QD 26 no 90.0 77.5 18.872 24.357 5.485 22 8 yes 3.469 34 42
1 42 SER QB 136 yes 80.0 22.1 3.529 15.983 12.454 6 5 yes 1.743 54 60
1 43 GLY QA 186 no 100.0 100.0 0.934 0.934 0.000 2 2 no 0.000 0 0
1 44 PHE QB 86 yes 95.0 47.9 0.331 0.690 0.360 9 3 no 0.517 0 1
1 45 LEU QB 32 yes 100.0 27.4 6.070 22.153 16.083 18 9 yes 3.334 60 60
1 45 LEU QD 34 yes 100.0 70.2 11.422 16.262 4.840 18 12 yes 1.942 36 77
1 48 GLN QB 148 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 48 GLN QE 78 no 100.0 56.2 0.817 1.454 0.637 10 7 no 0.006 0 0
1 48 GLN QG 54 no 50.0 0.9 0.009 1.072 1.063 13 5 no 0.612 0 3
1 49 LYS QD 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 LYS QG 96 no 100.0 100.0 4.401 4.401 0.000 8 1 no 0.000 0 0
1 50 ASP QB 36 no 100.0 100.0 0.466 0.466 0.000 16 0 no 0.000 0 0
1 51 VAL QG 143 no 100.0 100.0 6.468 6.468 0.000 5 1 no 0.000 0 0
1 52 ASP QB 113 no 100.0 100.0 0.694 0.694 0.000 7 0 no 0.000 0 0
1 54 VAL QG 24 yes 100.0 46.3 4.942 10.664 5.722 23 7 yes 3.045 34 60
1 55 ASP QB 58 no 100.0 84.0 1.382 1.645 0.263 12 1 yes 0.516 0 13
1 57 VAL QG 72 no 70.0 14.5 0.728 5.023 4.295 11 3 yes 1.855 28 48
1 58 MET QB 172 no 55.0 39.7 0.015 0.038 0.023 3 1 no 0.428 0 0
1 59 LYS QB 158 no 100.0 100.0 1.590 1.590 0.000 4 1 no 0.000 0 0
1 59 LYS QG 66 no 100.0 100.0 1.061 1.061 0.000 11 1 no 0.000 0 0
1 60 GLU QB 104 no 90.0 100.0 0.017 0.017 0.000 8 2 no 0.000 0 0
1 61 LEU QB 53 no 100.0 73.9 9.262 12.540 3.278 13 5 yes 1.863 20 20
1 61 LEU QD 22 no 100.0 87.4 0.758 0.867 0.109 24 9 no 0.398 0 0
1 63 GLU QG 133 yes 85.0 73.3 3.514 4.791 1.277 6 1 yes 1.741 6 20
1 64 ASN QB 71 no 100.0 95.6 1.269 1.327 0.058 11 3 no 0.398 0 0
1 64 ASN QD 95 no 85.0 100.0 0.070 0.070 0.000 8 1 yes 0.678 0 10
1 67 GLY QA 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 VAL QG 46 no 90.0 90.6 3.449 3.805 0.356 14 1 yes 1.294 3 3
1 70 ASP QB 60 no 100.0 96.1 0.837 0.871 0.034 12 4 no 0.311 0 0
1 71 PHE QB 164 no 100.0 100.0 0.085 0.085 0.000 3 0 no 0.000 0 0
1 72 GLN QE 8 no 100.0 6.3 0.319 5.025 4.706 38 15 yes 1.489 48 80
1 72 GLN QG 31 no 100.0 64.3 1.616 2.514 0.898 18 9 no 0.000 0 0
1 73 GLU QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 GLU QG 171 yes 85.0 75.9 0.214 0.281 0.068 3 1 no 0.831 0 2
1 74 TYR QB 132 no 100.0 100.0 0.012 0.012 0.000 6 1 no 0.000 0 0
1 75 VAL QG 4 no 90.0 51.6 5.432 10.522 5.090 47 12 yes 1.895 30 60
1 76 VAL QG 10 no 35.0 1.1 0.137 12.707 12.570 36 18 yes 2.163 75 109
1 77 LEU QB 81 no 100.0 100.0 1.894 1.894 0.000 9 2 no 0.000 0 0
1 77 LEU QD 109 no 100.0 100.0 6.724 6.724 0.000 8 3 no 0.000 0 0
1 78 VAL QG 12 no 100.0 99.0 25.092 25.354 0.262 31 7 no 0.453 0 0
1 81 LEU QB 147 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 81 LEU QD 103 no 100.0 99.9 0.097 0.097 0.000 8 2 no 0.040 0 0
1 83 VAL QG 2 no 100.0 100.0 18.194 18.194 0.000 48 11 no 0.020 0 0
1 85 CYS QB 74 no 100.0 100.0 0.456 0.456 0.000 10 1 no 0.000 0 0
1 86 ASN QD 188 no 85.0 100.0 0.019 0.019 0.000 1 0 no 0.000 0 0
1 87 ASN QB 151 no 40.0 100.0 0.032 0.032 0.000 5 3 no 0.000 0 0
1 87 ASN QD 160 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 90 TRP QB 56 no 100.0 100.0 2.796 2.796 0.000 12 0 no 0.000 0 0
1 92 ASN QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 ASN QD 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 3 GLU QG 49 no 100.0 31.4 1.167 3.722 2.555 14 5 yes 1.575 32 36
2 4 LEU QB 116 no 100.0 67.1 2.794 4.164 1.371 7 3 yes 0.812 0 20
2 4 LEU QD 17 no 90.0 28.6 2.247 7.853 5.606 28 12 yes 1.246 34 122
2 5 GLU QG 80 no 15.0 63.1 0.007 0.012 0.004 9 2 no 0.216 0 0
2 8 MET QB 189 no 100.0 100.0 0.231 0.231 0.000 1 1 no 0.000 0 0
2 8 MET QG 102 no 80.0 86.9 0.530 0.610 0.080 8 2 no 0.453 0 0
2 9 GLU QB 125 no 100.0 100.0 0.088 0.088 0.000 6 0 no 0.000 0 0
2 9 GLU QG 65 no 100.0 98.6 2.588 2.625 0.036 11 1 no 0.265 0 0
2 11 LEU QD 13 no 100.0 99.6 6.531 6.556 0.025 30 5 no 0.141 0 0
2 12 ILE QG 138 no 100.0 100.0 1.562 1.562 0.000 5 0 no 0.000 0 0
2 13 ASN QB 101 no 100.0 100.0 0.657 0.657 0.000 8 2 no 0.000 0 0
2 13 ASN QD 43 no 100.0 41.4 0.158 0.383 0.224 15 6 no 0.509 0 1
2 14 VAL QG 15 no 40.0 0.4 0.018 4.474 4.456 30 10 yes 1.450 14 95
2 15 PHE QB 64 yes 100.0 48.3 0.486 1.005 0.519 11 1 no 0.190 0 0
2 16 HIS QB 112 no 100.0 99.8 0.882 0.884 0.002 7 0 no 0.086 0 0
2 18 HIS QB 61 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
2 21 LYS QB 163 no 100.0 100.0 0.720 0.720 0.000 3 0 no 0.000 0 0
2 22 GLU QB 124 no 85.0 100.0 0.191 0.191 0.000 6 0 no 0.000 0 0
2 23 GLY QA 137 no 75.0 100.0 0.002 0.002 0.000 5 0 no 0.000 0 0
2 26 TYR QB 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 27 LYS QB 142 no 25.0 100.0 0.000 0.000 0.000 5 1 no 0.000 0 0
2 27 LYS QD 108 no 100.0 100.0 0.339 0.339 0.000 8 3 no 0.000 0 0
2 27 LYS QE 150 no 30.0 100.0 0.002 0.002 0.000 5 3 no 0.000 0 0
2 27 LYS QG 94 no 100.0 100.0 0.929 0.929 0.000 8 1 no 0.000 0 0
2 28 LEU QB 47 no 100.0 99.3 1.928 1.941 0.013 14 4 no 0.158 0 0
2 28 LEU QD 5 no 85.0 0.0 0.000 0.653 0.653 43 12 yes 0.814 0 24
2 29 SER QB 89 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 30 LYS QB 39 no 80.0 100.0 0.013 0.013 0.000 15 3 no 0.000 0 0
2 30 LYS QD 93 yes 100.0 98.7 0.373 0.378 0.005 8 1 no 0.158 0 0
2 31 LYS QB 170 no 100.0 100.0 1.317 1.317 0.000 3 1 no 0.000 0 0
2 32 GLU QB 85 no 100.0 100.0 2.467 2.467 0.000 9 3 no 0.049 0 0
2 33 LEU QB 131 no 100.0 99.2 0.463 0.467 0.004 6 1 no 0.098 0 0
2 33 LEU QD 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 34 LYS QG 121 no 85.0 45.0 0.232 0.516 0.284 7 5 yes 1.122 2 3
2 35 GLU QG 178 no 30.0 1.6 0.000 0.005 0.005 2 0 no 0.200 0 0
2 36 LEU QB 169 no 100.0 100.0 0.537 0.537 0.000 3 1 no 0.000 0 0
2 36 LEU QD 19 no 100.0 98.1 20.964 21.375 0.411 25 6 no 0.571 0 5
2 37 LEU QB 115 no 85.0 10.7 0.383 3.588 3.205 7 3 yes 1.518 20 24
2 37 LEU QD 27 yes 100.0 84.7 31.694 37.435 5.741 19 8 yes 1.359 64 101
2 38 GLN QB 119 no 100.0 87.0 4.525 5.203 0.679 7 4 no 0.459 0 0
2 38 GLN QE 75 no 100.0 71.9 1.003 1.395 0.392 10 6 yes 0.613 0 12
2 38 GLN QG 41 no 95.0 21.6 2.377 10.990 8.613 15 5 yes 2.722 36 50
2 40 GLU QB 162 no 100.0 100.0 0.989 0.989 0.000 3 0 no 0.000 0 0
2 40 GLU QG 84 no 100.0 99.2 0.530 0.534 0.004 9 3 no 0.000 0 0
2 41 LEU QB 37 no 100.0 0.0 0.000 0.385 0.385 16 10 no 0.000 0 0
2 41 LEU QD 25 no 90.0 80.7 19.141 23.709 4.569 22 8 yes 3.482 32 41
2 42 SER QB 135 yes 80.0 19.9 3.125 15.688 12.563 6 5 yes 1.759 44 60
2 43 GLY QA 185 no 100.0 100.0 0.946 0.946 0.000 2 2 no 0.000 0 0
2 44 PHE QB 83 yes 90.0 36.8 0.239 0.650 0.411 9 3 no 0.514 0 2
2 45 LEU QB 30 yes 100.0 28.2 6.214 22.012 15.798 18 9 yes 3.277 60 60
2 45 LEU QD 33 yes 100.0 67.6 13.195 19.515 6.320 18 12 yes 2.117 42 84
2 48 GLN QB 146 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
2 48 GLN QE 77 no 100.0 56.3 0.681 1.209 0.528 10 7 no 0.127 0 0
2 48 GLN QG 52 no 70.0 25.8 0.276 1.069 0.793 13 5 no 0.498 0 0
2 49 LYS QD 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 49 LYS QG 92 no 100.0 100.0 4.278 4.278 0.000 8 1 no 0.000 0 0
2 50 ASP QB 35 no 100.0 100.0 0.491 0.491 0.000 16 0 no 0.000 0 0
2 51 VAL QG 141 no 100.0 100.0 6.460 6.461 0.000 5 1 no 0.000 0 0
2 52 ASP QB 111 no 100.0 100.0 0.644 0.644 0.000 7 0 no 0.000 0 0
2 54 VAL QG 23 yes 100.0 44.2 4.949 11.195 6.246 23 7 yes 2.834 28 49
2 55 ASP QB 57 no 100.0 83.7 1.348 1.611 0.263 12 1 yes 0.522 0 13
2 57 VAL QG 70 no 60.0 2.6 0.140 5.322 5.182 11 3 yes 1.956 29 50
2 58 MET QB 168 no 65.0 65.7 0.027 0.041 0.014 3 1 no 0.653 0 1
2 59 LYS QB 157 no 100.0 100.0 1.561 1.561 0.000 4 1 no 0.000 0 0
2 59 LYS QG 63 no 100.0 100.0 1.085 1.085 0.000 11 1 no 0.000 0 0
2 60 GLU QB 100 no 95.0 100.0 0.017 0.017 0.000 8 2 no 0.000 0 0
2 61 LEU QB 51 no 100.0 74.0 9.372 12.657 3.284 13 5 yes 1.856 20 20
2 61 LEU QD 21 no 100.0 87.6 0.892 1.017 0.126 24 9 no 0.447 0 0
2 63 GLU QG 130 yes 85.0 72.4 3.475 4.797 1.322 6 1 yes 1.532 5 20
2 64 ASN QB 69 no 100.0 94.7 1.242 1.311 0.069 11 3 no 0.447 0 0
2 64 ASN QD 91 no 80.0 100.0 0.072 0.072 0.000 8 1 yes 0.689 0 13
2 67 GLY QA 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 69 VAL QG 45 no 100.0 96.1 4.006 4.170 0.163 14 1 no 0.518 0 1
2 70 ASP QB 59 no 100.0 96.4 0.777 0.806 0.029 12 4 no 0.303 0 0
2 71 PHE QB 161 no 100.0 100.0 0.088 0.088 0.000 3 0 no 0.000 0 0
2 72 GLN QE 7 no 100.0 7.4 0.313 4.212 3.898 38 15 yes 1.415 36 80
2 72 GLN QG 29 no 95.0 57.2 1.650 2.886 1.236 18 9 no 0.000 0 0
2 73 GLU QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 73 GLU QG 167 yes 85.0 77.9 0.217 0.279 0.062 3 1 no 0.784 0 2
2 74 TYR QB 129 no 100.0 100.0 0.009 0.009 0.000 6 1 no 0.000 0 0
2 75 VAL QG 3 no 95.0 92.4 20.951 22.677 1.726 47 12 yes 1.888 8 17
2 76 VAL QG 9 no 25.0 0.3 0.048 14.085 14.037 36 18 yes 2.150 68 108
2 77 LEU QB 79 no 100.0 100.0 1.776 1.776 0.000 9 2 no 0.000 0 0
2 77 LEU QD 107 no 100.0 100.0 6.611 6.611 0.000 8 3 no 0.000 0 0
2 78 VAL QG 11 no 100.0 99.2 24.225 24.411 0.186 31 7 no 0.508 0 2
2 81 LEU QB 145 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
2 81 LEU QD 99 no 100.0 99.4 0.112 0.113 0.001 8 2 no 0.065 0 0
2 83 VAL QG 1 no 100.0 100.0 21.784 21.784 0.000 48 11 no 0.006 0 0
2 85 CYS QB 73 no 100.0 100.0 0.498 0.498 0.000 10 1 no 0.000 0 0
2 86 ASN QD 187 no 90.0 100.0 0.020 0.020 0.000 1 0 no 0.000 0 0
2 87 ASN QB 149 no 35.0 100.0 0.043 0.043 0.000 5 3 no 0.000 0 0
2 87 ASN QD 159 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 90 TRP QB 55 no 100.0 100.0 3.055 3.055 0.000 12 0 no 0.000 0 0
2 92 ASN QB 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 92 ASN QD 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.010 0 0
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