NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
543075 |
2lsb   |
18426 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lsb
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 203
_Stereo_assign_list.Swap_count 21
_Stereo_assign_list.Swap_percentage 10.3
_Stereo_assign_list.Deassign_count 12
_Stereo_assign_list.Deassign_percentage 5.9
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 359.404
_Stereo_assign_list.Total_e_high_states 2957.485
_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 GLY QA 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 GLY QA 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.036 0 0
1 9 GLN QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.032 0 0
1 9 GLN QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 TRP QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
1 11 ASN QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 LYS QB 169 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.068 0 0
1 12 LYS QG 202 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.020 0 0
1 13 PRO QB 165 no 100.0 100.0 3.100 3.101 0.001 4 0 no 0.058 0 0
1 13 PRO QD 107 no 100.0 100.0 2.124 2.124 0.000 10 4 no 0.026 0 0
1 13 PRO QG 172 no 100.0 100.0 4.207 4.207 0.000 3 0 no 0.018 0 0
1 15 LYS QB 201 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.012 0 0
1 15 LYS QD 200 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 15 LYS QG 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 PRO QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.031 0 0
1 16 PRO QD 99 no 100.0 99.9 1.474 1.475 0.001 11 4 no 0.076 0 0
1 16 PRO QG 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 LYS QB 131 no 100.0 100.0 0.971 0.971 0.000 7 1 no 0.040 0 0
1 17 LYS QG 130 no 100.0 100.0 4.012 4.013 0.001 7 1 no 0.055 0 0
1 20 MET QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 LYS QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 LYS QG 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 23 MET QB 152 no 100.0 100.0 2.604 2.604 0.000 5 0 no 0.008 0 0
1 23 MET QG 162 no 100.0 100.0 2.441 2.441 0.000 4 0 no 0.007 0 0
1 25 GLY QA 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 32 VAL QG 185 no 100.0 0.0 0.000 0.009 0.009 2 0 no 0.199 0 0
1 33 VAL QG 14 no 100.0 79.0 29.905 37.864 7.959 25 14 no 0.114 0 0
1 34 GLY QA 148 no 100.0 100.0 0.988 0.988 0.000 6 3 no 0.000 0 0
1 35 GLY QA 96 no 100.0 100.0 2.063 2.063 0.000 11 3 no 0.000 0 0
1 36 LEU QB 29 no 100.0 96.4 5.771 5.986 0.215 20 15 yes 1.464 2 2
1 36 LEU QD 4 no 100.0 98.6 19.317 19.585 0.268 44 30 yes 1.283 2 2
1 37 GLY QA 129 no 100.0 100.0 2.799 2.800 0.001 8 5 no 0.069 0 0
1 38 GLY QA 147 no 100.0 50.4 1.272 2.521 1.250 6 3 no 0.063 0 0
1 39 TYR QB 62 no 100.0 99.0 3.493 3.528 0.034 15 10 no 0.109 0 0
1 39 TYR QD 34 no 90.0 89.9 58.971 65.610 6.639 19 10 yes 3.236 23 26
1 39 TYR QE 173 no 90.0 92.2 10.372 11.255 0.883 3 1 yes 2.191 4 4
1 40 MET QB 114 no 100.0 100.0 1.198 1.198 0.000 9 1 no 0.013 0 0
1 40 MET QG 125 no 100.0 100.0 2.982 2.982 0.000 8 4 no 0.000 0 0
1 41 LEU QB 63 no 100.0 100.0 3.113 3.113 0.000 15 12 no 0.024 0 0
1 41 LEU QD 8 no 100.0 64.0 12.481 19.500 7.018 33 20 no 0.148 0 0
1 42 GLY QA 120 no 100.0 100.0 3.189 3.189 0.000 9 7 no 0.016 0 0
1 43 SER QB 123 no 100.0 100.0 4.100 4.102 0.002 8 2 no 0.099 0 0
1 45 MET QB 121 no 100.0 100.0 0.308 0.308 0.000 8 0 no 0.008 0 0
1 45 MET QG 65 no 100.0 100.0 3.102 3.102 0.001 14 3 no 0.040 0 0
1 47 ARG QB 203 no 90.0 100.0 0.223 0.223 0.000 1 0 no 0.000 0 0
1 47 ARG QD 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 ARG QG 171 no 100.0 99.9 0.811 0.811 0.000 3 0 no 0.050 0 0
1 48 PRO QB 88 no 100.0 99.9 7.519 7.525 0.006 12 5 no 0.088 0 0
1 48 PRO QD 112 no 100.0 100.0 5.661 5.664 0.002 10 6 no 0.073 0 0
1 48 PRO QG 134 no 100.0 100.0 3.153 3.153 0.000 7 3 no 0.025 0 0
1 49 ILE QG 122 no 100.0 100.0 1.507 1.507 0.000 8 2 no 0.011 0 0
1 50 ILE QG 6 no 100.0 87.5 11.949 13.655 1.706 36 20 no 0.076 0 0
1 51 HIS QB 138 no 100.0 99.8 3.428 3.436 0.008 6 0 no 0.170 0 0
1 52 PHE QB 37 no 100.0 97.2 3.904 4.014 0.111 19 14 no 0.059 0 0
1 52 PHE QD 69 yes 100.0 100.0 45.561 45.562 0.000 14 6 no 0.033 0 0
1 52 PHE QE 17 yes 100.0 100.0 97.976 97.977 0.001 24 16 no 0.045 0 0
1 53 GLY QA 199 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.013 0 0
1 54 SER QB 26 no 100.0 62.1 7.885 12.708 4.822 21 14 no 0.024 0 0
1 55 ASP QB 128 no 100.0 100.0 4.800 4.801 0.000 8 5 no 0.030 0 0
1 56 TYR QB 151 no 100.0 100.0 2.255 2.255 0.000 6 5 no 0.005 0 0
1 56 TYR QD 94 yes 100.0 100.0 34.900 34.900 0.000 12 8 no 0.018 0 0
1 56 TYR QE 127 yes 100.0 100.0 24.811 24.811 0.000 8 5 no 0.011 0 0
1 57 GLU QB 36 no 100.0 75.2 5.158 6.860 1.703 19 13 no 0.021 0 0
1 57 GLU QG 52 no 100.0 48.0 5.576 11.619 6.042 16 12 no 0.059 0 0
1 58 ASP QB 58 no 100.0 100.0 7.042 7.042 0.000 15 8 no 0.023 0 0
1 59 ARG QB 90 no 100.0 100.0 3.155 3.155 0.000 12 6 no 0.023 0 0
1 59 ARG QD 126 no 100.0 100.0 2.988 2.988 0.000 8 5 no 0.046 0 0
1 59 ARG QG 82 no 100.0 100.0 2.450 2.450 0.000 13 6 no 0.021 0 0
1 60 TYR QB 41 no 100.0 35.6 5.617 15.764 10.147 18 7 no 0.679 0 4
1 60 TYR QD 81 yes 80.0 74.8 27.035 36.143 9.108 13 6 yes 2.682 24 32
1 60 TYR QE 154 yes 80.0 74.8 10.057 13.452 3.394 5 2 yes 2.793 8 15
1 61 TYR QB 10 no 100.0 35.9 20.619 57.479 36.860 28 15 yes 3.657 8 8
1 61 TYR QD 9 no 100.0 69.3 96.561 139.398 42.837 28 12 no 0.126 0 0
1 61 TYR QE 25 no 100.0 100.0 118.471 118.472 0.002 21 13 no 0.052 0 0
1 62 ARG QB 146 no 100.0 100.0 2.152 2.153 0.000 6 3 no 0.037 0 0
1 62 ARG QD 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.034 0 0
1 62 ARG QG 106 no 100.0 100.0 3.790 3.790 0.000 10 4 no 0.044 0 0
1 63 GLU QB 72 no 100.0 89.0 8.271 9.295 1.024 14 7 yes 1.137 3 4
1 63 GLU QG 71 no 100.0 100.0 3.357 3.358 0.001 14 7 no 0.054 0 0
1 64 ASN QB 93 no 100.0 100.0 2.974 2.974 0.000 12 8 no 0.017 0 0
1 64 ASN QD 117 no 100.0 100.0 2.443 2.444 0.001 9 2 no 0.033 0 0
1 65 MET QB 49 no 100.0 100.0 9.353 9.353 0.000 16 6 no 0.019 0 0
1 65 MET QG 53 no 100.0 100.0 4.753 4.753 0.000 15 3 no 0.024 0 0
1 66 HIS QB 145 no 100.0 100.0 0.453 0.453 0.000 6 3 no 0.021 0 0
1 67 ARG QB 79 no 100.0 100.0 2.015 2.015 0.000 13 5 no 0.021 0 0
1 67 ARG QD 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 67 ARG QG 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 68 TYR QB 33 no 100.0 100.0 6.537 6.537 0.000 19 10 no 0.032 0 0
1 68 TYR QD 12 yes 100.0 100.0 92.396 92.397 0.001 27 18 no 0.047 0 0
1 68 TYR QE 23 yes 100.0 100.0 104.723 104.724 0.001 22 12 no 0.063 0 0
1 69 PRO QB 87 no 100.0 100.0 2.780 2.780 0.001 12 5 no 0.041 0 0
1 69 PRO QD 28 no 100.0 100.0 1.522 1.523 0.000 20 13 no 0.033 0 0
1 69 PRO QG 119 no 100.0 99.3 0.906 0.912 0.006 9 6 no 0.138 0 0
1 70 ASN QB 168 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.033 0 0
1 71 GLN QB 95 no 100.0 99.7 1.833 1.838 0.006 12 9 no 0.132 0 0
1 71 GLN QE 157 no 85.0 99.8 0.176 0.177 0.000 5 4 no 0.039 0 0
1 71 GLN QG 98 no 100.0 100.0 3.419 3.420 0.001 11 4 no 0.055 0 0
1 72 VAL QG 3 no 100.0 85.6 39.815 46.539 6.724 50 24 no 0.106 0 0
1 73 TYR QB 32 no 100.0 92.0 8.530 9.275 0.745 19 9 yes 2.337 4 4
1 73 TYR QD 11 yes 100.0 100.0 99.157 99.158 0.001 28 16 no 0.067 0 0
1 73 TYR QE 22 yes 100.0 100.0 90.501 90.501 0.000 22 11 no 0.024 0 0
1 74 TYR QB 174 no 100.0 100.0 1.009 1.009 0.000 3 2 no 0.000 0 0
1 74 TYR QD 100 no 100.0 90.7 71.868 79.230 7.362 11 5 no 0.039 0 0
1 74 TYR QE 61 no 100.0 92.7 102.431 110.457 8.026 15 10 no 0.039 0 0
1 76 PRO QB 196 no 100.0 100.0 0.391 0.391 0.000 2 1 no 0.001 0 0
1 77 MET QB 109 no 100.0 100.0 0.594 0.594 0.000 10 5 no 0.023 0 0
1 77 MET QG 84 no 100.0 100.0 5.026 5.026 0.000 12 3 no 0.022 0 0
1 78 ASP QB 182 no 0.0 0.0 0.000 0.001 0.001 2 0 no 0.051 0 0
1 83 GLN QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 GLN QG 155 no 100.0 99.9 0.923 0.924 0.001 5 3 no 0.095 0 0
1 84 ASN QB 68 no 100.0 100.0 6.045 6.046 0.001 14 6 no 0.031 0 0
1 84 ASN QD 198 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 85 ASN QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 PHE QB 137 no 100.0 100.0 3.690 3.690 0.000 6 0 no 0.028 0 0
1 86 PHE QD 102 yes 100.0 100.0 47.083 47.083 0.001 11 7 no 0.045 0 0
1 86 PHE QE 167 yes 100.0 100.0 18.236 18.236 0.000 4 2 no 0.000 0 0
1 87 VAL QG 5 no 100.0 86.3 69.202 80.209 11.008 42 18 no 0.078 0 0
1 88 HIS QB 66 no 100.0 100.0 5.073 5.074 0.000 14 5 no 0.031 0 0
1 89 ASP QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 CYS QB 43 no 100.0 99.8 1.470 1.472 0.002 18 10 no 0.078 0 0
1 91 VAL QG 7 no 100.0 99.9 18.570 18.581 0.011 33 12 no 0.137 0 0
1 92 ASN QB 86 no 100.0 100.0 5.433 5.433 0.000 12 4 no 0.025 0 0
1 92 ASN QD 142 no 100.0 100.0 1.590 1.590 0.000 6 1 no 0.025 0 0
1 93 ILE QG 42 no 100.0 99.9 2.406 2.409 0.003 18 9 no 0.023 0 0
1 95 ILE QG 21 no 100.0 100.0 7.197 7.198 0.000 22 10 no 0.033 0 0
1 96 LYS QB 48 no 100.0 99.7 2.410 2.417 0.006 16 5 no 0.081 0 0
1 96 LYS QD 156 no 100.0 99.8 1.056 1.057 0.002 5 4 no 0.053 0 0
1 96 LYS QE 170 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.012 0 0
1 96 LYS QG 141 no 100.0 100.0 4.558 4.558 0.000 6 1 no 0.000 0 0
1 97 GLN QB 70 no 100.0 100.0 5.199 5.202 0.003 14 7 no 0.090 0 0
1 97 GLN QE 89 no 100.0 100.0 1.512 1.512 0.000 12 6 no 0.011 0 0
1 97 GLN QG 80 no 100.0 100.0 0.503 0.503 0.000 13 6 no 0.020 0 0
1 98 HIS QB 30 no 100.0 99.9 4.633 4.639 0.005 19 4 no 0.101 0 0
1 100 VAL QG 18 no 100.0 100.0 37.200 37.214 0.014 23 5 no 0.145 0 0
1 105 LYS QB 78 no 100.0 100.0 4.075 4.075 0.000 13 5 no 0.015 0 0
1 105 LYS QD 103 no 100.0 100.0 2.402 2.402 0.000 10 2 no 0.005 0 0
1 105 LYS QE 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 LYS QG 140 no 100.0 100.0 2.454 2.455 0.000 6 1 no 0.046 0 0
1 106 GLY QA 111 no 100.0 100.0 2.732 2.733 0.001 10 6 no 0.045 0 0
1 107 GLU QB 38 no 100.0 100.0 9.096 9.096 0.000 18 3 no 0.045 0 0
1 107 GLU QG 39 no 100.0 48.9 6.188 12.651 6.463 18 6 no 0.083 0 0
1 108 ASN QB 76 no 100.0 100.0 3.774 3.775 0.001 13 3 no 0.060 0 0
1 109 PHE QB 40 no 100.0 100.0 3.839 3.840 0.001 18 7 no 0.073 0 0
1 109 PHE QD 16 yes 100.0 93.5 145.927 156.115 10.188 24 10 no 0.047 0 0
1 109 PHE QE 116 yes 100.0 100.0 18.149 18.149 0.000 9 2 no 0.010 0 0
1 111 GLU QB 85 no 100.0 99.6 2.123 2.131 0.008 12 4 no 0.180 0 0
1 111 GLU QG 57 no 100.0 100.0 6.001 6.001 0.001 15 8 no 0.060 0 0
1 113 ASP QB 19 no 100.0 59.3 12.087 20.386 8.299 23 9 no 0.021 0 0
1 114 VAL QG 20 no 100.0 100.0 45.393 45.397 0.004 22 8 no 0.118 0 0
1 115 LYS QB 115 no 100.0 100.0 6.116 6.116 0.000 9 2 no 0.038 0 0
1 115 LYS QD 166 no 100.0 100.0 3.227 3.227 0.000 4 2 no 0.012 0 0
1 115 LYS QE 91 no 100.0 100.0 8.062 8.062 0.000 12 7 no 0.012 0 0
1 115 LYS QG 73 no 100.0 100.0 4.190 4.190 0.000 14 8 no 0.004 0 0
1 116 MET QB 60 no 100.0 100.0 14.209 14.209 0.000 15 9 no 0.005 0 0
1 116 MET QG 13 no 100.0 22.5 7.110 31.654 24.544 26 10 yes 3.056 8 8
1 117 MET QB 15 no 100.0 100.0 4.335 4.336 0.001 24 10 no 0.046 0 0
1 117 MET QG 101 no 100.0 100.0 1.343 1.343 0.000 11 7 no 0.004 0 0
1 118 GLU QB 108 no 100.0 99.8 1.125 1.127 0.002 10 5 no 0.060 0 0
1 118 GLU QG 55 no 100.0 100.0 5.218 5.218 0.001 15 6 no 0.046 0 0
1 119 ARG QB 46 no 100.0 100.0 1.365 1.365 0.000 17 8 no 0.045 0 0
1 119 ARG QD 35 no 100.0 100.0 6.224 6.225 0.001 19 12 no 0.042 0 0
1 119 ARG QG 31 no 100.0 99.9 0.335 0.336 0.000 19 8 no 0.026 0 0
1 120 VAL QG 1 no 100.0 68.0 49.040 72.141 23.100 53 30 no 0.103 0 0
1 121 VAL QG 2 no 100.0 86.0 61.349 71.350 10.001 51 25 no 0.190 0 0
1 122 GLU QB 150 no 100.0 78.3 0.010 0.012 0.003 6 4 no 0.070 0 0
1 122 GLU QG 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 123 GLN QB 47 no 100.0 99.7 4.309 4.321 0.012 16 5 no 0.275 0 0
1 123 GLN QE 153 no 100.0 100.0 0.008 0.008 0.000 5 1 no 0.275 0 0
1 123 GLN QG 45 no 100.0 100.0 7.796 7.797 0.001 17 3 no 0.065 0 0
1 124 MET QB 50 no 100.0 100.0 9.092 9.092 0.001 16 8 no 0.046 0 0
1 124 MET QG 24 no 100.0 100.0 3.885 3.885 0.000 21 11 no 0.025 0 0
1 125 CYS QB 44 no 100.0 99.9 2.356 2.358 0.001 18 11 no 0.058 0 0
1 126 ILE QG 133 no 100.0 100.0 2.467 2.467 0.000 7 3 no 0.000 0 0
1 128 GLN QB 105 no 100.0 100.0 0.999 0.999 0.000 10 4 no 0.017 0 0
1 128 GLN QE 113 no 100.0 100.0 3.953 3.954 0.000 10 7 no 0.017 0 0
1 128 GLN QG 118 no 100.0 100.0 1.400 1.400 0.000 9 6 no 0.013 0 0
1 129 TYR QB 124 no 100.0 100.0 1.558 1.558 0.000 8 4 no 0.000 0 0
1 129 TYR QD 83 yes 100.0 96.5 32.917 34.113 1.196 12 3 no 0.022 0 0
1 129 TYR QE 97 yes 100.0 100.0 62.662 62.663 0.000 11 4 no 0.024 0 0
1 130 GLU QB 104 no 100.0 62.4 4.911 7.873 2.962 10 4 no 0.000 0 0
1 130 GLU QG 75 no 100.0 91.6 4.485 4.894 0.409 13 2 no 0.035 0 0
1 131 ARG QB 144 no 100.0 100.0 3.150 3.151 0.000 6 3 no 0.023 0 0
1 131 ARG QD 56 no 100.0 100.0 0.941 0.941 0.000 15 8 no 0.019 0 0
1 131 ARG QG 54 no 100.0 99.9 4.183 4.185 0.002 15 4 no 0.093 0 0
1 132 GLU QB 67 no 100.0 51.7 2.957 5.722 2.765 14 6 no 0.014 0 0
1 132 GLU QG 136 no 100.0 49.5 7.920 15.994 8.074 7 4 no 0.000 0 0
1 133 SER QB 59 yes 100.0 12.5 3.769 30.119 26.350 15 9 yes 1.395 40 86
1 134 GLN QB 139 no 100.0 100.0 1.927 1.927 0.000 6 1 no 0.000 0 0
1 134 GLN QE 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 134 GLN QG 77 no 100.0 62.7 10.088 16.099 6.011 13 4 no 0.076 0 0
1 136 TYR QB 110 no 100.0 100.0 3.132 3.132 0.000 10 6 no 0.024 0 0
1 136 TYR QD 51 yes 100.0 89.7 85.425 95.226 9.800 16 10 yes 0.941 0 20
1 136 TYR QE 74 yes 100.0 81.1 160.471 197.957 37.486 14 10 no 0.062 0 0
1 137 TYR QB 27 no 100.0 56.0 7.273 12.992 5.719 20 10 no 0.056 0 0
1 137 TYR QD 92 yes 100.0 100.0 43.211 43.212 0.000 12 8 no 0.020 0 0
1 137 TYR QE 175 yes 100.0 100.0 7.833 7.833 0.000 3 3 no 0.015 0 0
1 138 GLN QB 64 no 100.0 100.0 1.846 1.846 0.000 14 0 no 0.037 0 0
1 138 GLN QG 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 139 ARG QB 132 no 100.0 100.0 2.762 2.762 0.000 7 3 no 0.003 0 0
1 139 ARG QD 143 no 100.0 100.0 2.203 2.203 0.000 6 3 no 0.019 0 0
1 139 ARG QG 135 no 100.0 100.0 2.327 2.328 0.000 7 4 no 0.012 0 0
1 140 GLY QA 149 no 100.0 100.0 1.763 1.764 0.000 6 4 no 0.019 0 0
1 141 SER QB 197 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.014 0 0
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