NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
625271 |
6feh   |
34226 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6feh
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 422
_Stereo_assign_list.Swap_count 145
_Stereo_assign_list.Swap_percentage 34.4
_Stereo_assign_list.Deassign_count 358
_Stereo_assign_list.Deassign_percentage 84.8
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 7837.191
_Stereo_assign_list.Total_e_high_states 9531.127
_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 10 HIS QB 320 yes 80.0 9.0 20.992 233.353 212.361 5 1 yes 19.466 10 10
1 11 ASP QB 237 no 80.0 19.3 2.107 10.896 8.789 7 0 yes 4.535 15 22
1 12 TYR QB 181 no 60.0 2.4 1.119 47.128 46.010 9 0 yes 7.900 42 48
1 12 TYR QD 367 no 50.0 2.6 0.356 13.929 13.572 3 0 yes 4.334 17 22
1 13 ASP QB 341 no 70.0 13.5 0.190 1.404 1.215 4 0 yes 1.518 6 8
1 14 ILE QG 393 no 70.0 84.2 0.294 0.349 0.055 2 0 no 0.615 0 1
1 15 PRO QB 10 no 90.0 7.0 26.671 382.523 355.852 24 10 yes 10.657 122 138
1 15 PRO QD 49 no 90.0 12.4 3.679 29.644 25.965 17 8 yes 4.387 38 47
1 15 PRO QG 80 no 60.0 2.0 3.347 167.655 164.308 15 10 yes 10.098 48 49
1 18 GLU QB 131 no 60.0 1.0 4.575 458.775 454.200 12 6 yes 19.718 57 62
1 18 GLU QG 48 no 60.0 0.2 0.344 213.347 213.003 17 8 yes 7.665 123 134
1 19 ASN QB 199 yes 90.0 11.5 48.795 425.605 376.810 9 4 yes 21.729 47 54
1 19 ASN QD 340 yes 80.0 6.2 0.407 6.587 6.180 4 0 yes 2.417 18 21
1 20 LEU QB 155 no 70.0 17.9 11.606 64.739 53.133 11 6 yes 7.867 24 28
1 20 LEU QD 20 no 50.0 1.8 2.988 168.155 165.167 20 7 yes 9.214 106 118
1 21 TYR QB 82 yes 90.0 5.1 14.433 284.389 269.956 14 2 yes 10.551 100 104
1 21 TYR QD 366 no 50.0 1.7 0.842 50.506 49.665 3 0 yes 9.198 22 25
1 21 TYR QE 421 no 50.0 38.1 2.335 6.127 3.792 1 0 yes 3.097 8 8
1 22 PHE QB 213 no 50.0 4.5 2.396 53.373 50.978 8 0 yes 8.903 30 43
1 22 PHE QD 365 no 60.0 3.8 4.573 119.241 114.668 3 0 yes 15.613 21 28
1 23 GLN QB 144 no 50.0 1.1 2.167 194.286 192.120 11 3 yes 14.557 30 42
1 23 GLN QE 364 no 90.0 27.3 3.016 11.036 8.020 3 0 yes 2.973 14 27
1 23 GLN QG 198 no 40.0 3.4 0.432 12.791 12.359 9 4 yes 4.110 22 25
1 24 GLY QA 288 no 60.0 6.5 9.690 148.261 138.571 6 1 yes 8.917 44 45
1 26 MET QB 265 yes 100.0 73.8 0.917 1.243 0.326 7 4 yes 1.193 1 4
1 26 MET QG 197 no 60.0 22.4 0.067 0.300 0.233 9 4 yes 1.072 1 6
1 27 GLY QA 303 no 40.0 0.0 0.004 25.907 25.904 6 2 yes 3.577 42 55
1 28 ILE QG 164 no 80.0 55.4 0.439 0.792 0.353 10 0 yes 1.512 1 3
1 29 LEU QB 196 no 60.0 21.5 0.226 1.051 0.825 9 4 yes 0.866 0 11
1 29 LEU QD 78 no 60.0 11.8 13.003 110.653 97.650 15 8 yes 6.442 86 97
1 30 GLY QA 251 no 70.0 9.1 2.608 28.558 25.950 7 2 yes 4.717 23 26
1 31 SER QB 219 no 50.0 9.5 5.966 62.684 56.717 8 1 yes 7.163 36 42
1 32 GLY QA 392 no 100.0 100.0 0.002 0.002 0.000 2 0 no 0.112 0 0
1 33 GLN QB 204 no 50.0 0.2 0.063 34.163 34.100 9 5 yes 5.496 20 22
1 33 GLN QE 363 no 60.0 2.2 1.431 65.430 63.999 3 0 yes 8.501 28 28
1 33 GLN QG 233 no 60.0 12.9 2.835 22.024 19.189 8 4 yes 5.424 17 24
1 34 LYS QB 302 no 70.0 15.2 1.066 7.006 5.939 6 2 yes 5.594 8 10
1 34 LYS QD 264 no 50.0 14.7 7.230 49.256 42.025 7 4 yes 4.841 45 45
1 34 LYS QE 420 no 50.0 20.2 0.438 2.166 1.728 1 0 yes 2.176 6 8
1 34 LYS QG 263 yes 80.0 45.0 0.208 0.462 0.254 7 4 no 0.962 0 4
1 35 HIS QB 362 no 60.0 48.6 0.179 0.369 0.190 3 0 yes 1.180 1 6
1 36 PHE QB 316 no 90.0 92.4 0.109 0.118 0.009 5 0 no 0.298 0 0
1 36 PHE QD 391 no 40.0 51.7 0.149 0.288 0.139 2 0 no 0.758 0 2
1 36 PHE QE 419 no 50.0 53.7 0.867 1.615 0.748 1 0 yes 1.476 2 7
1 37 GLU QB 344 yes 80.0 85.6 0.371 0.433 0.062 4 1 no 0.523 0 1
1 37 GLU QG 250 no 60.0 29.7 5.462 18.408 12.946 7 2 yes 3.414 29 34
1 38 LYS QB 301 no 60.0 31.3 0.986 3.151 2.165 6 2 yes 4.503 5 9
1 38 LYS QD 348 yes 80.0 33.7 1.917 5.691 3.774 4 2 yes 2.751 9 13
1 38 LYS QE 418 no 60.0 20.8 0.381 1.834 1.453 1 0 yes 1.995 6 7
1 38 LYS QG 300 no 80.0 41.0 3.046 7.431 4.385 6 2 yes 2.790 12 19
1 39 ARG QB 257 no 60.0 25.1 0.396 1.579 1.183 7 3 yes 1.409 2 17
1 39 ARG QD 347 no 60.0 5.6 0.047 0.834 0.787 4 2 yes 1.882 1 5
1 39 ARG QG 324 no 60.0 30.0 1.372 4.576 3.204 5 2 yes 2.649 11 14
1 39 ARG QH1 417 yes 100.0 67.0 5.989 8.938 2.948 1 0 yes 2.406 8 10
1 40 ARG QB 203 no 60.0 13.8 0.672 4.866 4.194 9 5 yes 2.076 6 14
1 40 ARG QD 270 no 70.0 5.2 0.758 14.611 13.853 7 5 yes 5.494 9 10
1 40 ARG QG 202 no 40.0 2.5 0.791 31.666 30.875 9 5 yes 4.978 28 35
1 40 ARG QH1 416 yes 100.0 56.0 4.547 8.121 3.574 1 0 yes 2.399 9 9
1 41 ASN QB 195 no 100.0 100.0 0.000 0.000 0.000 9 4 no 0.060 0 0
1 42 PRO QB 113 no 100.0 28.5 0.414 1.453 1.039 13 10 no 0.294 0 0
1 42 PRO QD 77 yes 100.0 78.9 7.717 9.778 2.061 15 8 yes 1.527 10 20
1 45 GLY QA 269 no 100.0 60.9 8.314 13.653 5.339 7 5 yes 2.614 6 8
1 46 LEU QB 262 no 90.0 60.3 1.226 2.034 0.808 7 4 no 0.612 0 4
1 46 LEU QD 25 no 80.0 33.0 5.191 15.727 10.536 20 12 yes 2.560 23 55
1 47 ILE QG 81 yes 90.0 73.9 6.696 9.057 2.361 14 1 yes 2.153 5 22
1 48 GLN QB 154 no 70.0 41.9 2.479 5.918 3.439 11 6 yes 3.345 7 8
1 48 GLN QE 361 no 0.0 0.0 0.000 0.645 0.645 3 0 yes 1.833 2 5
1 48 GLN QG 299 no 90.0 63.6 2.920 4.588 1.668 6 2 yes 2.057 4 9
1 49 SER QB 343 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 51 TRP QB 287 yes 100.0 94.1 0.342 0.363 0.021 6 1 no 0.000 0 0
1 52 ARG QB 278 no 50.0 27.8 0.319 1.148 0.829 6 0 yes 1.131 3 11
1 52 ARG QD 390 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 ARG QG 389 no 70.0 38.7 1.484 3.832 2.348 2 0 yes 2.266 10 10
1 53 PHE QB 68 yes 90.0 55.9 3.085 5.521 2.436 15 4 yes 2.574 9 17
1 53 PHE QD 388 no 80.0 55.2 0.604 1.094 0.490 2 0 yes 1.999 1 2
1 53 PHE QE 346 no 80.0 18.3 0.669 3.663 2.993 4 2 yes 2.184 13 13
1 54 TYR QB 115 no 60.0 30.8 0.449 1.457 1.008 12 1 yes 2.951 3 8
1 54 TYR QD 387 yes 90.0 84.4 1.239 1.469 0.230 2 0 yes 1.159 1 3
1 54 TYR QE 415 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 57 ASN QB 126 no 60.0 12.9 3.485 26.922 23.436 12 5 yes 5.155 36 43
1 57 ASN QD 277 no 80.0 37.3 2.246 6.028 3.782 6 0 yes 3.024 9 14
1 58 LEU QB 97 no 30.0 11.4 0.331 2.892 2.562 13 2 yes 3.813 5 13
1 58 LEU QD 190 no 50.0 3.5 0.184 5.190 5.006 9 3 yes 2.161 16 23
1 59 SER QB 189 no 50.0 7.8 2.877 36.985 34.108 9 3 yes 6.919 28 44
1 60 ARG QB 232 no 70.0 27.4 0.560 2.045 1.485 8 4 yes 1.571 6 7
1 60 ARG QD 76 no 40.0 2.1 2.591 121.830 119.239 15 8 yes 9.632 58 72
1 60 ARG QG 158 no 70.0 3.3 0.213 6.438 6.224 11 7 yes 3.007 15 18
1 62 ASP QB 118 yes 100.0 43.3 4.137 9.548 5.410 12 2 yes 2.272 17 26
1 63 LEU QB 249 no 100.0 57.9 2.385 4.117 1.732 7 2 yes 1.397 4 5
1 63 LEU QD 315 no 50.0 3.0 1.207 40.335 39.128 5 0 yes 7.019 20 28
1 64 HIS QB 298 no 70.0 0.5 0.563 111.962 111.400 6 2 yes 15.745 13 15
1 65 SER QB 167 no 60.0 3.9 0.518 13.358 12.840 10 2 yes 2.482 34 52
1 67 TRP QB 386 yes 90.0 3.0 0.206 6.922 6.716 2 0 yes 5.317 8 9
1 68 GLN QB 256 yes 80.0 40.3 2.917 7.231 4.314 7 3 yes 2.054 9 14
1 68 GLN QE 385 yes 100.0 11.6 0.842 7.286 6.444 2 0 yes 2.780 16 19
1 68 GLN QG 319 no 80.0 25.1 0.866 3.455 2.588 5 1 yes 2.087 8 21
1 69 TYR QB 360 no 70.0 38.9 0.936 2.404 1.469 3 0 yes 1.898 5 9
1 69 TYR QD 384 yes 100.0 100.0 0.141 0.141 0.000 2 0 no 0.000 0 0
1 69 TYR QE 414 yes 80.0 31.9 0.319 1.000 0.682 1 0 yes 1.531 3 3
1 70 TYR QB 180 no 50.0 1.8 3.829 211.238 207.409 9 0 yes 15.023 55 58
1 70 TYR QD 339 no 60.0 30.3 11.473 37.910 26.437 4 0 yes 9.259 18 19
1 70 TYR QE 413 no 80.0 3.5 0.017 0.479 0.462 1 0 yes 0.883 0 7
1 71 GLU QB 286 yes 90.0 51.7 1.522 2.943 1.422 6 1 yes 1.915 4 10
1 71 GLU QG 318 no 90.0 63.2 2.725 4.310 1.585 5 1 yes 3.146 2 4
1 72 ARG QB 297 yes 80.0 30.0 0.265 0.884 0.619 6 2 yes 2.114 1 3
1 72 ARG QD 183 no 70.0 17.3 4.624 26.762 22.139 9 2 yes 5.154 35 48
1 72 ARG QG 224 no 60.0 12.1 1.283 10.560 9.278 8 2 yes 3.535 18 27
1 74 VAL QG 248 yes 90.0 17.9 3.767 21.018 17.251 7 2 yes 6.408 16 23
1 76 VAL QG 296 no 70.0 56.1 2.551 4.545 1.994 6 2 yes 2.704 5 10
1 77 PRO QB 134 yes 90.0 38.8 5.103 13.158 8.055 12 9 yes 3.941 8 12
1 77 PRO QD 24 no 60.0 0.5 0.051 9.885 9.834 20 12 yes 2.743 18 21
1 77 PRO QG 161 no 60.0 17.5 1.179 6.739 5.560 11 8 yes 3.411 8 9
1 78 MET QB 285 no 70.0 11.4 4.162 36.558 32.396 6 1 yes 6.696 14 18
1 78 MET QG 295 no 80.0 31.5 16.220 51.419 35.199 6 2 yes 7.516 18 23
1 79 TYR QB 359 no 60.0 55.3 0.115 0.208 0.093 3 0 no 0.565 0 1
1 79 TYR QD 383 no 60.0 16.9 0.519 3.061 2.542 2 0 yes 2.142 9 13
1 80 ARG QB 329 yes 80.0 22.8 1.587 6.972 5.385 5 3 yes 2.186 6 7
1 80 ARG QD 328 no 50.0 3.4 0.639 18.782 18.143 5 3 yes 4.439 14 19
1 80 ARG QG 310 no 80.0 12.7 5.292 41.760 36.468 6 4 yes 6.485 21 24
1 81 GLY QA 350 yes 80.0 19.3 2.196 11.400 9.203 4 3 yes 2.287 15 19
1 82 LEU QB 194 no 60.0 4.1 5.448 133.197 127.749 9 4 yes 19.681 10 18
1 82 LEU QD 63 no 70.0 4.9 5.704 117.536 111.832 16 9 yes 8.634 66 82
1 83 GLU QB 212 no 70.0 0.6 0.154 26.783 26.630 8 0 yes 4.645 38 49
1 83 GLU QG 382 yes 90.0 24.3 1.512 6.211 4.699 2 0 yes 3.785 7 8
1 84 ASP QB 284 no 70.0 7.3 0.302 4.122 3.820 6 1 yes 1.986 5 9
1 85 LEU QB 317 no 70.0 84.0 0.086 0.103 0.016 5 1 no 0.187 0 0
1 85 LEU QD 223 no 50.0 1.9 0.272 14.415 14.143 8 2 yes 4.248 29 44
1 87 PRO QB 112 yes 90.0 7.9 0.140 1.781 1.640 13 10 yes 2.730 5 7
1 87 PRO QD 94 no 100.0 2.1 0.021 1.001 0.979 14 8 yes 1.244 3 13
1 87 PRO QG 110 yes 80.0 9.7 0.747 7.704 6.957 13 8 yes 2.995 14 17
1 88 GLY QA 55 no 100.0 16.5 3.612 21.906 18.293 16 4 yes 4.310 21 39
1 89 LEU QB 222 no 90.0 51.1 5.964 11.682 5.718 8 2 yes 4.849 6 11
1 89 LEU QD 14 no 60.0 15.2 43.847 289.339 245.493 21 7 yes 17.537 68 98
1 90 LYS QB 150 no 70.0 6.4 0.810 12.579 11.769 11 5 yes 2.965 25 42
1 90 LYS QD 255 no 60.0 22.9 4.571 19.981 15.409 7 3 yes 3.920 39 42
1 90 LYS QG 188 no 60.0 15.9 3.487 21.898 18.411 9 3 yes 6.406 27 34
1 91 VAL QG 47 no 100.0 67.6 19.812 29.313 9.500 17 8 yes 2.912 27 54
1 92 SER QB 309 no 30.0 20.5 0.040 0.195 0.155 6 4 yes 1.084 1 1
1 93 ILE QG 137 no 100.0 94.2 0.438 0.464 0.027 11 0 no 0.387 0 0
1 94 ARG QB 254 yes 100.0 54.1 2.888 5.339 2.451 7 3 yes 2.016 3 7
1 94 ARG QD 206 yes 90.0 40.0 3.905 9.768 5.864 9 6 yes 3.682 3 7
1 94 ARG QG 230 no 100.0 83.1 4.660 5.607 0.946 8 3 no 0.492 0 0
1 96 VAL QG 34 no 100.0 81.1 16.357 20.175 3.818 18 6 yes 1.722 9 20
1 97 CYS QB 253 no 50.0 9.5 2.373 25.030 22.658 7 3 yes 9.402 12 16
1 98 VAL QG 29 no 80.0 28.0 8.382 29.903 21.521 19 6 yes 5.425 26 49
1 99 MET QB 247 no 100.0 69.7 2.386 3.422 1.036 7 2 yes 1.287 1 5
1 99 MET QG 166 yes 100.0 75.1 2.900 3.860 0.960 10 2 yes 1.026 1 10
1 100 ARG QB 171 no 70.0 16.3 0.013 0.079 0.066 10 4 no 0.382 0 0
1 100 ARG QD 327 no 40.0 48.4 0.184 0.380 0.196 5 3 yes 1.465 1 4
1 100 ARG QG 326 no 70.0 45.0 0.153 0.340 0.187 5 3 yes 0.831 0 5
1 101 PHE QB 221 yes 100.0 28.5 2.373 8.338 5.966 8 2 yes 4.926 4 12
1 101 PHE QD 358 no 80.0 95.3 0.190 0.200 0.009 3 0 no 0.237 0 0
1 101 PHE QE 422 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 102 LEU QB 261 no 70.0 14.5 3.304 22.819 19.515 7 4 yes 6.512 15 15
1 102 LEU QD 338 no 70.0 30.6 1.798 5.884 4.086 4 0 yes 2.207 17 23
1 103 VAL QG 211 no 100.0 32.0 1.284 4.017 2.733 8 0 yes 1.356 14 25
1 104 SER QB 294 no 70.0 6.5 0.037 0.568 0.531 6 2 no 0.951 0 6
1 105 LYS QB 157 yes 90.0 58.8 5.300 9.009 3.709 11 7 yes 3.215 6 10
1 105 LYS QD 268 yes 80.0 24.4 2.677 10.948 8.271 7 5 yes 2.845 17 19
1 105 LYS QE 133 no 70.0 6.6 0.123 1.860 1.737 12 8 yes 1.826 4 13
1 105 LYS QG 62 yes 100.0 55.9 10.094 18.069 7.975 16 9 yes 3.798 10 35
1 106 ARG QB 260 no 40.0 19.2 2.324 12.118 9.794 7 4 yes 5.426 9 12
1 106 ARG QD 325 no 60.0 16.8 0.945 5.624 4.679 5 3 yes 3.222 7 8
1 106 ARG QG 267 no 70.0 24.2 5.157 21.283 16.127 7 5 yes 5.181 18 19
1 107 LYS QB 293 no 100.0 76.6 1.602 2.092 0.489 6 2 yes 0.822 0 9
1 107 LYS QD 345 yes 90.0 43.8 6.083 13.903 7.820 4 2 yes 3.622 11 12
1 107 LYS QE 381 no 50.0 11.4 1.112 9.737 8.625 2 0 yes 3.712 15 18
1 107 LYS QG 349 no 90.0 26.9 4.557 16.916 12.359 4 3 yes 3.557 15 20
1 108 PHE QB 104 yes 100.0 79.7 3.444 4.319 0.875 13 5 yes 0.931 0 11
1 108 PHE QD 357 yes 100.0 96.2 5.263 5.471 0.208 3 0 no 0.745 0 3
1 109 LYS QB 292 no 70.0 15.1 0.438 2.891 2.453 6 2 yes 1.461 17 21
1 109 LYS QD 394 no 70.0 55.0 2.512 4.566 2.055 2 1 yes 2.285 13 17
1 109 LYS QE 380 yes 80.0 19.3 1.664 8.607 6.943 2 0 yes 3.077 13 18
1 109 LYS QG 323 no 50.0 8.1 0.177 2.195 2.017 5 2 yes 1.561 2 11
1 110 GLU QB 322 no 60.0 41.3 6.354 15.378 9.024 5 2 yes 3.873 12 14
1 110 GLU QG 229 no 100.0 27.8 6.598 23.760 17.161 8 3 yes 3.331 35 43
1 111 SER QB 337 no 60.0 29.6 0.153 0.517 0.364 4 0 no 0.794 0 8
1 112 LEU QB 67 no 80.0 30.2 1.072 3.545 2.473 15 4 yes 1.521 9 23
1 112 LEU QD 74 no 60.0 27.0 0.587 2.170 1.583 15 6 yes 2.167 5 19
1 113 ARG QB 205 no 50.0 17.0 0.187 1.099 0.913 9 6 yes 0.776 0 11
1 113 ARG QD 330 no 50.0 40.7 0.581 1.428 0.846 5 4 yes 2.076 3 4
1 113 ARG QG 130 no 60.0 12.4 3.151 25.489 22.338 12 6 yes 4.464 37 58
1 114 LEU QB 193 no 50.0 9.9 0.317 3.201 2.884 9 4 yes 2.068 9 9
1 114 LEU QD 101 yes 100.0 46.5 10.723 23.050 12.327 13 4 yes 3.325 37 46
1 115 ASP QB 314 no 60.0 15.6 2.207 14.138 11.931 5 0 yes 5.776 7 12
2 3 ASP QB 379 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 4 GLN QB 175 no 70.0 6.0 1.340 22.228 20.888 10 5 yes 8.235 21 22
2 4 GLN QG 60 yes 80.0 0.6 1.313 202.610 201.297 16 8 yes 7.904 86 98
2 5 LEU QB 148 no 90.0 43.5 0.980 2.253 1.272 11 4 yes 1.224 3 11
2 5 LEU QD 125 no 30.0 6.6 0.898 13.636 12.738 12 5 yes 3.429 23 37
2 7 GLU QB 228 no 60.0 18.8 0.723 3.844 3.121 8 3 yes 2.583 11 20
2 7 GLU QG 252 no 40.0 8.4 0.092 1.099 1.007 7 3 yes 1.471 2 10
2 8 GLU QB 342 yes 80.0 30.0 0.414 1.379 0.966 4 1 yes 1.390 5 9
2 8 GLU QG 246 no 70.0 20.5 1.351 6.585 5.234 7 2 yes 3.371 20 22
2 9 GLN QB 85 yes 100.0 35.4 18.473 52.110 33.637 14 4 yes 9.905 20 26
2 9 GLN QG 192 no 40.0 5.6 1.804 32.451 30.647 9 4 yes 8.721 29 40
2 10 ILE QG 28 yes 90.0 5.9 8.893 150.567 141.674 19 5 yes 9.231 49 60
2 12 GLU QB 187 no 100.0 74.9 1.908 2.546 0.639 9 3 yes 1.194 3 9
2 12 GLU QG 124 yes 90.0 42.8 2.097 4.905 2.808 12 5 yes 2.167 7 20
2 13 PHE QB 117 yes 100.0 59.1 0.495 0.837 0.342 12 2 no 0.704 0 2
2 13 PHE QD 336 no 80.0 52.1 3.890 7.465 3.575 4 0 yes 1.910 17 27
2 13 PHE QE 412 yes 80.0 87.7 0.716 0.817 0.101 1 0 no 0.754 0 2
2 14 LYS QB 45 yes 100.0 51.2 9.158 17.901 8.743 17 7 yes 4.654 11 20
2 14 LYS QD 308 yes 90.0 69.9 2.429 3.472 1.044 6 4 yes 1.461 4 10
2 14 LYS QE 378 no 50.0 4.9 0.704 14.350 13.646 2 0 yes 4.456 14 16
2 14 LYS QG 129 no 70.0 33.3 1.145 3.436 2.291 12 6 yes 2.193 12 28
2 15 GLU QB 291 yes 90.0 51.1 2.702 5.283 2.581 6 2 yes 2.638 5 9
2 15 GLU QG 186 no 50.0 27.9 2.354 8.435 6.081 9 3 yes 3.059 15 43
2 17 PHE QB 276 no 70.0 100.0 0.003 0.003 0.000 6 0 no 0.000 0 0
2 17 PHE QD 377 yes 100.0 57.5 0.929 1.616 0.688 2 0 yes 0.921 0 10
2 17 PHE QE 376 no 30.0 24.0 0.004 0.017 0.013 2 0 no 0.363 0 0
2 18 SER QB 210 yes 90.0 68.2 3.914 5.743 1.828 8 0 yes 1.852 2 26
2 19 LEU QB 240 no 100.0 98.7 2.878 2.916 0.038 7 1 no 0.236 0 0
2 19 LEU QD 182 no 70.0 29.1 1.822 6.270 4.448 9 2 yes 3.393 4 29
2 20 PHE QB 83 yes 100.0 86.2 3.748 4.349 0.601 14 3 yes 0.821 0 10
2 20 PHE QD 375 no 90.0 83.3 9.441 11.338 1.897 2 0 yes 2.255 10 10
2 20 PHE QE 411 no 100.0 99.8 9.187 9.201 0.014 1 0 no 0.284 0 0
2 21 ASP QB 54 yes 100.0 60.2 2.491 4.138 1.647 16 3 yes 1.044 3 13
2 22 LYS QB 128 no 100.0 37.4 1.044 2.792 1.748 12 6 yes 1.902 3 17
2 22 LYS QD 156 no 40.0 9.1 0.681 7.477 6.796 11 7 yes 2.142 17 28
2 22 LYS QE 410 no 70.0 46.3 0.890 1.924 1.034 1 0 yes 2.452 5 9
2 22 LYS QG 96 yes 90.0 35.8 2.829 7.897 5.068 14 9 yes 4.034 10 33
2 23 ASP QB 245 no 40.0 2.6 0.212 8.158 7.946 7 2 yes 2.037 25 28
2 24 GLY QA 283 yes 100.0 52.9 0.736 1.393 0.657 6 1 yes 1.062 1 10
2 25 ASP QB 218 yes 80.0 70.0 5.077 7.257 2.180 8 1 yes 1.853 9 11
2 26 GLY QA 313 yes 100.0 70.3 0.500 0.710 0.211 5 0 no 0.677 0 4
2 28 ILE QG 27 yes 100.0 79.5 1.072 1.349 0.276 19 4 no 0.670 0 4
2 31 LYS QB 153 yes 100.0 95.3 2.833 2.974 0.141 11 6 no 0.118 0 0
2 31 LYS QD 89 no 90.0 25.6 4.364 17.072 12.708 14 6 yes 2.963 30 44
2 31 LYS QE 409 no 60.0 28.7 0.709 2.469 1.760 1 0 yes 2.198 7 9
2 31 LYS QG 90 yes 100.0 89.2 2.764 3.097 0.333 14 7 no 0.660 0 6
2 32 GLU QB 116 yes 100.0 67.8 3.911 5.766 1.855 12 2 yes 1.944 4 11
2 32 GLU QG 120 yes 100.0 37.6 3.147 8.368 5.221 12 3 yes 2.660 10 24
2 33 LEU QB 43 yes 100.0 84.4 2.090 2.476 0.386 17 5 no 0.877 0 1
2 33 LEU QD 8 no 100.0 88.9 44.700 50.274 5.574 27 14 yes 1.795 24 48
2 34 GLY QA 86 yes 100.0 67.9 2.947 4.342 1.395 14 5 yes 1.749 1 20
2 36 VAL QG 12 no 100.0 68.0 8.318 12.225 3.907 23 10 yes 2.172 7 25
2 37 MET QB 36 yes 100.0 56.7 9.333 16.459 7.125 18 10 yes 2.214 21 46
2 37 MET QG 23 no 90.0 47.8 2.911 6.091 3.180 20 12 yes 1.238 2 10
2 38 ARG QB 152 no 60.0 35.1 0.889 2.534 1.645 11 6 yes 2.746 3 7
2 38 ARG QD 132 yes 90.0 35.0 0.782 2.236 1.454 12 7 yes 1.632 4 14
2 38 ARG QG 93 no 70.0 12.5 0.973 7.782 6.809 14 8 yes 2.631 23 30
2 39 SER QB 282 no 100.0 100.0 0.431 0.431 0.000 6 1 no 0.000 0 0
2 40 LEU QB 57 yes 100.0 66.8 4.652 6.962 2.311 16 6 yes 3.022 1 11
2 40 LEU QD 13 no 100.0 90.8 23.229 25.592 2.363 23 12 yes 2.034 7 11
2 41 GLY QA 217 yes 100.0 23.1 0.336 1.453 1.117 8 1 yes 1.113 3 16
2 42 GLN QB 147 no 80.0 23.7 0.061 0.258 0.197 11 4 no 0.546 0 3
2 42 GLN QE 374 no 100.0 23.5 0.158 0.671 0.513 2 0 yes 1.110 3 5
2 42 GLN QG 177 yes 90.0 71.0 4.747 6.687 1.940 10 6 yes 2.320 3 4
2 43 ASN QB 216 yes 90.0 50.7 5.842 11.524 5.683 8 1 yes 3.379 16 22
2 43 ASN QD 408 no 80.0 98.3 0.788 0.802 0.013 1 0 no 0.225 0 0
2 44 PRO QB 59 yes 100.0 49.4 12.359 25.029 12.670 16 8 yes 3.032 36 64
2 44 PRO QD 236 yes 100.0 28.0 0.994 3.554 2.560 7 0 yes 1.899 10 17
2 44 PRO QG 64 no 80.0 8.7 0.882 10.153 9.271 16 11 yes 3.054 18 35
2 46 GLU QB 290 no 40.0 23.0 0.314 1.364 1.051 6 2 yes 2.015 4 4
2 46 GLU QG 227 no 70.0 25.4 2.117 8.328 6.211 8 3 yes 2.212 25 34
2 48 GLU QB 103 yes 100.0 20.9 1.303 6.233 4.929 13 5 yes 2.169 16 31
2 48 GLU QG 143 yes 90.0 30.2 0.837 2.777 1.939 11 3 yes 2.008 8 12
2 49 LEU QB 56 yes 100.0 95.3 5.058 5.305 0.248 16 5 no 0.587 0 1
2 49 LEU QD 6 no 100.0 75.7 49.266 65.112 15.846 32 19 yes 3.086 32 85
2 50 GLN QB 170 yes 100.0 98.7 1.277 1.293 0.017 10 4 no 0.019 0 0
2 50 GLN QG 107 no 90.0 3.3 0.140 4.247 4.107 13 6 yes 2.737 11 25
2 51 ASP QB 163 no 50.0 54.7 0.867 1.585 0.718 10 0 yes 2.123 3 16
2 52 MET QB 146 no 100.0 69.1 1.290 1.866 0.576 11 4 yes 0.978 0 10
2 52 MET QG 15 yes 100.0 41.9 5.681 13.545 7.864 21 9 yes 1.213 6 29
2 53 ILE QG 32 yes 100.0 82.7 12.781 15.464 2.682 18 4 yes 1.361 3 24
2 54 ASN QB 209 no 90.0 70.3 1.282 1.822 0.540 8 0 yes 1.300 1 5
2 54 ASN QD 407 yes 100.0 65.2 1.757 2.697 0.940 1 0 yes 1.468 5 5
2 55 GLU QB 174 yes 90.0 68.1 0.858 1.259 0.402 10 5 yes 1.487 1 3
2 55 GLU QG 50 yes 100.0 38.4 11.899 31.022 19.123 17 9 yes 5.000 23 48
2 56 VAL QG 35 no 50.0 23.9 4.646 19.455 14.808 18 7 yes 2.928 43 67
2 57 ASP QB 18 yes 100.0 63.0 16.131 25.586 9.455 20 4 yes 2.140 28 49
2 59 ASP QB 215 no 50.0 54.7 3.594 6.568 2.973 8 1 yes 1.675 8 16
2 60 GLY QA 239 yes 100.0 56.6 0.376 0.664 0.288 7 1 no 0.712 0 3
2 61 ASN QB 165 no 100.0 43.3 2.062 4.763 2.701 10 1 yes 1.994 8 13
2 61 ASN QD 373 no 30.0 17.5 0.087 0.495 0.408 2 0 yes 1.144 3 3
2 62 GLY QA 312 no 100.0 16.3 0.015 0.094 0.079 5 0 no 0.313 0 0
2 64 ILE QG 26 yes 100.0 54.0 10.957 20.307 9.350 19 3 yes 2.875 24 50
2 65 ASP QB 214 no 50.0 34.2 0.346 1.013 0.667 8 1 yes 1.250 1 5
2 66 PHE QB 406 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 66 PHE QD 372 no 100.0 86.9 3.900 4.487 0.587 2 0 yes 1.097 1 7
2 66 PHE QE 356 no 80.0 60.2 17.018 28.274 11.256 3 0 yes 5.872 15 21
2 67 PRO QB 201 no 100.0 54.9 4.247 7.742 3.495 9 5 yes 1.072 1 13
2 67 PRO QG 307 yes 100.0 47.0 3.034 6.456 3.423 6 4 yes 1.437 2 9
2 68 GLU QB 53 yes 100.0 71.8 6.227 8.675 2.447 16 3 yes 2.032 12 18
2 68 GLU QG 185 yes 80.0 30.4 1.338 4.402 3.064 9 3 yes 3.239 6 20
2 69 PHE QB 136 yes 100.0 78.1 3.263 4.177 0.914 11 0 yes 1.652 3 6
2 69 PHE QD 355 no 60.0 16.4 0.243 1.477 1.234 3 0 yes 1.534 6 10
2 69 PHE QE 405 no 60.0 26.6 0.483 1.816 1.333 1 0 yes 2.334 6 6
2 70 LEU QB 139 no 60.0 43.1 1.006 2.332 1.326 11 2 yes 1.944 3 11
2 70 LEU QD 46 no 60.0 10.6 2.979 28.074 25.094 17 8 yes 4.163 42 60
2 72 MET QB 70 yes 100.0 71.7 8.838 12.325 3.487 15 5 yes 2.385 9 20
2 72 MET QG 95 yes 90.0 6.0 0.941 15.734 14.793 14 9 yes 4.450 19 23
2 73 MET QB 102 no 100.0 20.7 0.759 3.667 2.907 13 5 yes 1.850 10 10
2 73 MET QG 69 yes 100.0 48.7 8.057 16.555 8.498 15 5 yes 2.602 25 46
2 75 ARG QB 109 no 40.0 13.4 0.527 3.924 3.398 13 8 yes 2.866 3 6
2 75 ARG QD 178 no 40.0 1.0 0.017 1.695 1.678 10 7 yes 1.849 5 13
2 75 ARG QG 92 no 60.0 4.6 0.578 12.471 11.893 14 8 yes 4.215 24 32
2 76 LYS QB 173 yes 100.0 19.1 15.021 78.595 63.573 10 5 yes 7.821 28 34
2 76 LYS QD 172 no 80.0 16.3 9.003 55.249 46.247 10 5 yes 7.000 37 49
2 76 LYS QE 160 no 50.0 0.3 0.347 105.030 104.683 11 8 yes 9.972 56 58
2 76 LYS QG 106 no 40.0 0.4 0.096 25.194 25.098 13 6 yes 4.064 23 41
2 77 MET QB 100 yes 80.0 16.4 0.435 2.651 2.216 13 4 yes 2.022 7 11
2 77 MET QG 306 no 80.0 19.5 1.210 6.191 4.981 6 3 yes 4.125 2 2
2 78 LYS QB 17 yes 80.0 1.8 5.777 324.364 318.587 20 4 yes 13.937 83 97
2 78 LYS QD 266 no 70.0 2.1 1.412 68.798 67.386 7 5 yes 8.914 24 29
2 78 LYS QE 371 no 60.0 1.8 0.932 52.830 51.897 2 0 yes 11.846 10 13
2 78 LYS QG 200 no 40.0 5.6 1.590 28.268 26.678 9 5 yes 5.692 19 23
2 79 ASP QB 184 no 80.0 24.5 12.527 51.035 38.508 9 3 yes 5.968 33 46
2 81 ASP QB 238 no 30.0 100.0 0.111 0.111 0.000 7 1 no 0.000 0 0
2 82 SER QB 169 no 80.0 20.8 15.326 73.710 58.384 10 4 yes 7.018 50 53
2 83 GLU QB 88 yes 80.0 21.0 1.298 6.178 4.881 14 6 yes 3.476 11 13
2 83 GLU QG 145 yes 90.0 52.5 3.705 7.054 3.349 11 4 yes 3.348 7 11
2 84 GLU QB 404 no 30.0 60.7 0.015 0.024 0.009 1 0 no 0.156 0 0
2 84 GLU QG 370 no 20.0 12.2 0.100 0.822 0.722 2 0 yes 2.264 1 4
2 85 GLU QB 226 no 70.0 2.6 0.367 13.929 13.562 8 3 yes 3.411 16 19
2 85 GLU QG 281 yes 80.0 32.0 1.999 6.254 4.254 6 1 yes 2.377 11 20
2 86 ILE QG 40 yes 100.0 31.5 3.034 9.626 6.592 17 1 yes 3.074 16 38
2 87 ARG QB 37 yes 100.0 16.0 0.751 4.679 3.928 18 11 yes 1.691 6 15
2 87 ARG QD 38 no 80.0 3.0 0.541 18.098 17.557 18 12 yes 4.379 29 57
2 87 ARG QG 39 yes 100.0 39.9 7.127 17.875 10.748 18 14 yes 2.171 16 26
2 88 GLU QB 244 no 90.0 45.1 2.166 4.801 2.635 7 2 yes 2.448 8 19
2 88 GLU QG 142 yes 90.0 21.0 2.606 12.386 9.780 11 3 yes 4.452 17 37
2 90 PHE QB 73 yes 100.0 62.7 11.895 18.968 7.073 15 6 yes 2.474 10 32
2 90 PHE QD 335 yes 100.0 100.0 12.337 12.337 0.000 4 0 no 0.000 0 0
2 90 PHE QE 403 yes 100.0 100.0 1.403 1.403 0.000 1 0 no 0.000 0 0
2 91 ARG QB 98 yes 80.0 70.2 9.307 13.254 3.947 13 3 yes 2.507 11 33
2 91 ARG QD 235 no 60.0 9.7 0.660 6.798 6.138 8 6 yes 2.322 10 24
2 91 ARG QG 61 yes 100.0 21.0 5.840 27.765 21.924 16 9 yes 3.480 31 48
2 92 VAL QG 41 no 80.0 68.3 17.862 26.162 8.300 17 2 yes 3.002 21 42
2 93 PHE QB 119 yes 100.0 69.4 7.395 10.658 3.263 12 3 yes 2.108 3 7
2 93 PHE QD 334 yes 80.0 77.1 10.306 13.360 3.054 4 0 yes 3.211 4 4
2 93 PHE QE 354 no 20.0 95.4 0.130 0.137 0.006 3 0 no 0.139 0 0
2 94 ASP QB 141 no 50.0 0.8 0.102 12.059 11.957 11 3 yes 3.306 30 48
2 95 LYS QB 127 no 60.0 42.4 4.165 9.819 5.654 12 6 yes 3.359 17 21
2 95 LYS QD 51 no 70.0 3.3 2.111 64.578 62.467 17 13 yes 5.511 64 90
2 95 LYS QE 275 no 50.0 1.2 0.016 1.323 1.307 6 0 yes 1.707 6 9
2 95 LYS QG 149 no 60.0 34.1 6.800 19.935 13.135 11 5 yes 4.590 18 27
2 96 ASP QB 138 yes 100.0 40.3 3.046 7.560 4.514 11 2 yes 2.330 7 13
2 97 GLY QA 208 yes 100.0 69.8 0.361 0.517 0.156 8 0 yes 1.250 1 1
2 98 ASN QB 243 yes 100.0 99.3 2.297 2.313 0.016 7 2 no 0.000 0 0
2 98 ASN QD 369 yes 90.0 72.3 1.791 2.479 0.687 2 0 yes 1.282 3 9
2 99 GLY QA 280 no 100.0 49.0 0.659 1.344 0.686 6 1 yes 1.371 2 5
2 100 TYR QB 72 no 90.0 0.0 0.000 11.873 11.873 15 6 yes 4.241 25 34
2 100 TYR QD 311 no 60.0 29.4 1.728 5.881 4.153 5 0 yes 2.318 12 18
2 100 TYR QE 402 no 80.0 38.2 0.013 0.035 0.022 1 0 no 0.593 0 1
2 101 ILE QG 11 yes 100.0 39.8 38.416 96.541 58.125 24 12 yes 6.056 62 82
2 102 SER QB 33 yes 100.0 54.1 26.274 48.558 22.284 18 6 yes 4.599 29 53
2 105 GLU QB 30 yes 90.0 14.6 2.019 13.863 11.844 19 10 yes 4.255 17 20
2 105 GLU QG 16 yes 80.0 26.2 7.385 28.219 20.834 21 13 yes 3.410 30 49
2 106 LEU QB 19 yes 100.0 63.2 5.140 8.139 2.999 20 6 yes 2.074 9 24
2 106 LEU QD 5 no 100.0 74.5 70.721 94.929 24.208 33 16 yes 2.618 50 111
2 107 ARG QB 121 yes 100.0 59.0 5.611 9.512 3.901 12 4 yes 2.531 12 23
2 107 ARG QD 401 no 10.0 100.0 0.001 0.001 0.000 1 0 no 0.000 0 0
2 107 ARG QG 159 yes 90.0 55.5 3.047 5.493 2.446 11 8 yes 2.307 4 9
2 108 HIS QB 333 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 109 VAL QG 7 no 90.0 77.3 32.066 41.462 9.396 30 11 yes 2.702 23 60
2 110 MET QB 22 yes 100.0 45.8 7.979 17.437 9.458 20 12 yes 1.826 11 30
2 110 MET QG 21 yes 100.0 91.6 3.460 3.777 0.317 20 8 no 0.586 0 2
2 112 ASN QB 274 no 80.0 10.6 1.819 17.130 15.311 6 0 yes 4.492 10 11
2 112 ASN QD 353 no 80.0 39.3 2.643 6.717 4.074 3 0 yes 3.318 9 11
2 113 LEU QB 44 yes 90.0 64.6 2.517 3.899 1.382 17 6 yes 2.341 3 7
2 113 LEU QD 9 no 90.0 42.6 19.616 46.054 26.439 26 12 yes 5.190 30 44
2 114 GLY QA 135 no 70.0 20.4 1.766 8.638 6.873 11 0 yes 2.643 27 43
2 115 GLU QB 234 yes 80.0 55.5 1.447 2.606 1.159 8 6 yes 1.719 4 5
2 115 GLU QG 176 no 40.0 1.6 0.163 10.387 10.224 10 6 yes 4.620 12 16
2 116 LYS QB 108 yes 100.0 82.9 3.380 4.079 0.699 13 8 yes 1.301 2 7
2 116 LYS QD 207 no 70.0 20.7 0.062 0.300 0.238 9 8 no 0.552 0 1
2 116 LYS QE 400 no 50.0 53.2 0.749 1.408 0.659 1 0 yes 1.974 5 5
2 116 LYS QG 58 no 60.0 23.9 1.954 8.166 6.212 16 8 yes 2.476 16 38
2 117 LEU QB 87 no 60.0 35.1 5.199 14.796 9.597 14 6 yes 2.590 22 31
2 117 LEU QD 4 no 60.0 0.2 0.075 42.961 42.886 34 12 yes 4.896 54 82
2 119 ASP QB 220 no 50.0 26.2 1.063 4.064 3.001 8 2 yes 2.101 12 19
2 120 GLU QB 305 yes 80.0 27.8 1.848 6.647 4.799 6 3 yes 3.111 4 9
2 120 GLU QG 259 yes 90.0 2.7 0.360 13.098 12.739 7 4 yes 3.699 13 21
2 121 GLU QB 231 no 90.0 3.7 0.047 1.254 1.208 8 4 no 0.990 0 1
2 121 GLU QG 258 no 70.0 7.5 1.393 18.470 17.077 7 4 yes 4.672 26 30
2 122 VAL QG 1 no 70.0 33.9 20.106 59.255 39.149 41 16 yes 3.360 69 119
2 123 ASP QB 242 no 60.0 13.0 1.643 12.605 10.962 7 2 yes 4.720 18 19
2 124 GLU QB 399 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 124 GLU QG 99 yes 90.0 11.9 4.009 33.664 29.656 13 4 yes 3.207 59 68
2 125 MET QB 71 yes 100.0 55.0 2.469 4.494 2.024 15 6 yes 1.344 2 15
2 125 MET QG 79 yes 100.0 25.9 5.498 21.199 15.701 15 9 yes 3.394 20 29
2 126 ILE QG 114 yes 100.0 73.5 4.917 6.687 1.771 12 0 yes 1.629 10 14
2 127 ARG QB 91 yes 90.0 54.6 1.524 2.789 1.266 14 8 yes 1.987 4 12
2 127 ARG QD 111 yes 90.0 37.7 11.266 29.897 18.631 13 9 yes 5.396 28 33
2 127 ARG QG 31 yes 80.0 8.7 1.568 17.978 16.411 19 12 yes 4.257 41 53
2 128 GLU QB 225 no 90.0 92.2 0.061 0.066 0.005 8 3 no 0.295 0 0
2 128 GLU QG 75 yes 90.0 38.1 5.273 13.850 8.576 15 7 yes 3.067 11 19
2 130 ASP QB 273 yes 100.0 21.5 0.184 0.853 0.669 6 0 yes 0.675 0 15
2 131 ILE QG 65 yes 90.0 18.1 9.641 53.387 43.746 15 2 yes 5.991 18 29
2 132 ASP QB 162 no 90.0 15.1 0.752 4.978 4.226 10 0 yes 3.059 9 19
2 133 GLY QA 241 yes 90.0 36.1 4.971 13.758 8.786 7 2 yes 2.089 12 19
2 134 ASP QB 332 no 90.0 2.6 0.031 1.201 1.170 4 0 yes 1.806 3 12
2 135 GLY QA 151 no 70.0 2.9 0.462 16.087 15.625 11 6 yes 3.370 30 44
2 136 GLN QB 105 no 70.0 10.8 4.091 37.920 33.829 13 6 yes 7.008 22 29
2 136 GLN QE 398 no 100.0 71.8 1.772 2.470 0.697 1 0 yes 1.660 3 6
2 136 GLN QG 179 no 60.0 14.5 2.179 15.032 12.853 10 8 yes 2.589 25 32
2 137 VAL QG 3 no 90.0 4.1 4.299 104.621 100.322 34 8 yes 7.821 112 150
2 138 ASN QB 140 no 0.0 0.0 0.000 0.174 0.174 11 3 yes 1.124 1 2
2 138 ASN QD 272 yes 80.0 45.5 1.873 4.113 2.240 6 0 yes 2.282 6 15
2 139 TYR QB 191 yes 100.0 77.2 5.827 7.546 1.719 9 4 yes 1.365 4 19
2 139 TYR QD 352 no 100.0 100.0 0.654 0.654 0.000 3 0 no 0.000 0 0
2 139 TYR QE 271 no 90.0 71.9 4.684 6.517 1.833 6 0 yes 1.928 9 14
2 140 GLU QB 279 no 100.0 68.6 0.183 0.267 0.084 6 1 no 0.444 0 0
2 140 GLU QG 289 yes 90.0 63.3 2.495 3.939 1.444 6 2 yes 1.282 3 11
2 141 GLU QB 321 no 30.0 9.1 0.018 0.202 0.184 5 2 no 0.630 0 3
2 141 GLU QG 304 no 30.0 5.1 0.018 0.361 0.342 6 3 no 0.630 0 3
2 142 PHE QB 84 no 100.0 43.5 5.288 12.169 6.881 14 4 yes 3.360 23 26
2 142 PHE QD 331 no 60.0 32.9 4.838 14.688 9.850 4 0 yes 3.648 8 11
2 142 PHE QE 397 no 60.0 59.1 0.880 1.488 0.608 1 0 yes 1.331 4 4
2 143 VAL QG 2 no 100.0 73.4 65.677 89.493 23.816 40 15 yes 3.704 58 122
2 144 GLN QB 168 yes 100.0 99.3 2.198 2.214 0.016 10 4 no 0.222 0 0
2 144 GLN QE 368 no 90.0 4.2 0.036 0.851 0.815 2 0 yes 1.322 4 8
2 144 GLN QG 123 no 70.0 38.7 2.555 6.605 4.051 12 5 yes 2.239 15 31
2 145 MET QB 42 yes 100.0 55.0 5.903 10.726 4.824 17 4 yes 2.673 16 34
2 145 MET QG 66 no 50.0 9.6 0.342 3.567 3.225 15 4 yes 2.337 6 17
2 146 MET QB 52 no 60.0 15.6 1.067 6.854 5.788 16 3 yes 2.875 22 35
2 146 MET QG 122 no 50.0 33.8 3.130 9.247 6.117 12 5 yes 3.550 12 19
2 149 LYS QB 351 no 80.0 75.0 0.543 0.724 0.181 3 0 no 0.841 0 3
2 149 LYS QD 396 no 40.0 0.9 0.058 6.366 6.308 1 0 yes 3.654 10 10
2 149 LYS QG 395 no 90.0 51.0 0.889 1.742 0.853 1 0 yes 1.891 3 3
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