NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
625176 |
6feg   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6feg
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 399
_Stereo_assign_list.Swap_count 133
_Stereo_assign_list.Swap_percentage 33.3
_Stereo_assign_list.Deassign_count 368
_Stereo_assign_list.Deassign_percentage 92.2
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 9354.256
_Stereo_assign_list.Total_e_high_states 12049.703
_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 376 no 20.0 29.1 0.032 0.110 0.078 3 0 no 0.562 0 2
1 11 ASP QB 266 no 70.0 1.6 8.821 536.142 527.321 7 0 yes 19.838 36 38
1 12 TYR QB 265 no 100.0 18.6 4.215 22.614 18.399 7 0 yes 4.252 26 28
1 13 ASP QB 264 no 60.0 5.4 0.030 0.558 0.528 7 0 yes 0.965 0 10
1 14 ILE QG 360 no 60.0 6.3 0.009 0.139 0.130 4 0 no 0.743 0 3
1 15 PRO QB 101 no 60.0 3.0 5.374 178.540 173.166 15 8 yes 13.180 40 40
1 15 PRO QD 125 no 90.0 32.8 3.466 10.578 7.112 14 8 yes 3.191 13 16
1 15 PRO QG 103 no 70.0 9.8 6.143 62.927 56.783 15 9 yes 7.547 35 37
1 18 GLU QB 283 no 50.0 2.7 6.401 238.313 231.912 7 2 yes 19.346 16 19
1 18 GLU QG 298 no 70.0 8.1 5.216 64.214 58.998 7 4 yes 7.564 24 26
1 19 ASN QB 263 yes 80.0 36.7 0.881 2.402 1.520 7 0 yes 1.325 7 15
1 20 LEU QB 183 yes 100.0 37.3 3.867 10.374 6.507 11 4 yes 5.090 10 10
1 20 LEU QD 92 no 70.0 7.4 3.582 48.483 44.900 15 5 yes 6.116 29 38
1 21 TYR QB 243 no 60.0 2.6 0.968 37.345 36.377 8 2 yes 5.637 20 20
1 21 TYR QD 383 no 90.0 90.1 0.533 0.592 0.059 3 2 no 0.623 0 1
1 22 PHE QB 203 no 80.0 15.2 3.219 21.182 17.962 10 3 yes 3.439 32 45
1 23 GLN QB 215 no 50.0 8.1 0.727 9.012 8.285 10 6 yes 2.962 10 10
1 23 GLN QG 258 no 50.0 5.4 0.487 9.009 8.522 8 5 yes 2.919 14 19
1 24 GLY QA 301 no 80.0 13.4 2.448 18.319 15.870 6 0 yes 5.087 11 12
1 26 MET QB 168 no 60.0 0.4 0.080 22.660 22.580 12 7 yes 3.928 20 27
1 26 MET QG 256 no 40.0 21.6 0.093 0.428 0.335 8 4 yes 1.340 1 4
1 27 GLY QA 282 no 70.0 15.4 2.459 15.961 13.502 7 2 yes 3.370 28 36
1 28 ILE QG 129 no 60.0 0.9 0.390 44.999 44.609 13 2 yes 7.318 24 29
1 29 LEU QB 120 no 90.0 14.9 16.608 111.728 95.121 14 6 yes 10.045 36 37
1 29 LEU QD 43 no 50.0 2.1 5.765 269.609 263.844 19 10 yes 11.187 67 75
1 30 GLY QA 291 no 70.0 12.5 3.122 24.954 21.832 7 3 yes 4.750 24 28
1 31 SER QB 242 no 40.0 1.1 0.580 54.365 53.785 8 2 yes 5.945 35 37
1 32 GLY QA 364 no 100.0 70.1 1.691 2.412 0.721 4 1 yes 1.240 2 10
1 33 GLN QB 100 no 90.0 4.0 6.578 163.744 157.167 15 8 yes 10.031 49 53
1 33 GLN QG 167 yes 90.0 6.0 16.044 265.550 249.506 12 7 yes 12.913 49 52
1 34 LYS QB 259 no 60.0 0.8 0.070 8.484 8.414 8 6 yes 2.046 12 20
1 34 LYS QD 300 no 60.0 19.1 2.654 13.867 11.213 7 5 yes 4.146 21 26
1 34 LYS QE 297 no 50.0 7.9 0.650 8.239 7.589 7 4 yes 3.533 17 21
1 34 LYS QG 170 no 70.0 29.6 3.651 12.354 8.703 12 8 yes 5.241 8 8
1 35 HIS QB 389 yes 100.0 93.1 0.338 0.363 0.025 2 0 no 0.263 0 0
1 36 PHE QB 262 no 70.0 15.9 2.802 17.629 14.827 7 0 yes 8.117 12 16
1 37 GLU QB 255 yes 80.0 25.2 7.910 31.411 23.501 8 4 yes 6.111 28 39
1 37 GLU QG 241 yes 80.0 23.1 5.302 22.995 17.693 8 2 yes 5.637 27 30
1 38 LYS QB 212 yes 80.0 34.2 5.832 17.067 11.235 10 4 yes 4.453 19 33
1 38 LYS QD 321 no 70.0 6.0 0.640 10.612 9.972 6 4 yes 3.246 17 20
1 38 LYS QE 299 no 70.0 5.4 1.479 27.554 26.075 7 5 yes 4.785 29 35
1 38 LYS QG 320 no 80.0 13.8 0.540 3.900 3.360 6 4 yes 2.005 6 9
1 39 ARG QB 317 no 70.0 4.5 0.077 1.708 1.631 6 3 no 0.904 0 5
1 39 ARG QD 228 no 50.0 13.8 2.086 15.097 13.011 9 3 yes 3.996 28 32
1 39 ARG QG 254 no 60.0 17.4 1.440 8.276 6.836 8 4 yes 3.382 16 16
1 40 ARG QB 281 no 60.0 28.4 0.776 2.732 1.956 7 2 no 0.907 0 3
1 40 ARG QD 319 no 60.0 26.6 1.288 4.846 3.559 6 4 yes 1.510 7 25
1 40 ARG QG 363 no 60.0 61.6 0.521 0.846 0.325 4 1 no 0.815 0 4
1 41 ASN QB 211 no 60.0 5.0 0.539 10.805 10.266 10 4 yes 2.600 23 32
1 41 ASN QD 388 yes 100.0 42.8 4.718 11.027 6.310 2 0 yes 3.775 15 16
1 42 PRO QB 234 no 90.0 76.7 4.394 5.726 1.332 8 1 yes 1.648 4 14
1 42 PRO QD 290 yes 100.0 80.7 7.287 9.033 1.747 7 3 yes 1.566 7 16
1 45 GLY QA 253 no 100.0 68.3 4.450 6.513 2.063 8 4 yes 2.035 6 9
1 46 LEU QB 331 yes 100.0 92.6 1.285 1.388 0.103 5 1 no 0.570 0 1
1 46 LEU QD 260 no 80.0 23.3 6.584 28.248 21.664 8 7 yes 3.264 27 32
1 47 ILE QG 195 no 100.0 25.1 1.813 7.214 5.401 10 2 yes 4.002 10 27
1 48 GLN QB 191 no 50.0 2.1 0.086 4.148 4.062 11 6 yes 2.682 10 14
1 48 GLN QE 189 yes 100.0 18.2 3.050 16.731 13.681 11 5 yes 3.799 25 36
1 48 GLN QG 149 no 40.0 0.2 0.020 12.023 12.003 13 6 yes 3.772 16 27
1 49 SER QB 289 no 60.0 43.1 1.250 2.899 1.650 7 3 yes 1.526 3 6
1 51 TRP QB 276 no 100.0 53.9 0.968 1.796 0.828 7 1 yes 1.055 2 12
1 52 ARG QB 349 no 50.0 65.1 1.540 2.364 0.825 5 3 yes 1.915 3 5
1 52 ARG QD 316 yes 100.0 11.2 1.127 10.072 8.944 6 3 yes 2.876 17 27
1 52 ARG QG 348 no 60.0 16.7 1.944 11.623 9.679 5 3 yes 3.970 16 26
1 53 PHE QB 275 yes 100.0 66.2 10.430 15.757 5.328 7 1 yes 3.397 12 14
1 54 TYR QB 188 yes 100.0 28.4 1.168 4.117 2.949 11 5 yes 2.244 3 6
1 54 TYR QD 340 no 80.0 80.7 0.010 0.012 0.002 5 2 no 0.205 0 0
1 54 TYR QE 371 no 90.0 78.5 18.889 24.062 5.173 4 3 yes 2.823 3 3
1 57 ASN QB 359 yes 80.0 57.3 1.531 2.673 1.142 4 0 yes 2.167 5 8
1 57 ASN QD 261 no 80.0 10.3 3.682 35.708 32.026 7 0 yes 5.513 41 46
1 58 LEU QB 114 no 60.0 7.4 1.571 21.287 19.716 14 4 yes 7.233 23 30
1 58 LEU QD 210 no 60.0 40.4 5.470 13.523 8.053 10 4 yes 4.182 16 20
1 59 SER QB 387 yes 80.0 81.8 0.625 0.764 0.139 2 0 no 0.893 0 2
1 60 ARG QB 288 yes 90.0 36.8 3.553 9.660 6.107 7 3 yes 3.604 10 10
1 60 ARG QD 155 yes 80.0 0.2 0.216 123.211 122.995 12 3 yes 9.868 69 79
1 60 ARG QG 315 no 60.0 10.1 2.789 27.731 24.942 6 3 yes 5.514 13 21
1 62 ASP QB 330 no 70.0 12.9 3.482 26.896 23.414 5 1 yes 5.062 18 21
1 63 LEU QB 233 no 100.0 30.5 8.413 27.600 19.187 8 1 yes 4.734 16 18
1 63 LEU QD 240 no 70.0 12.0 3.800 31.738 27.938 8 2 yes 5.084 41 55
1 64 HIS QB 358 no 80.0 33.2 1.153 3.471 2.318 4 0 yes 2.237 9 14
1 65 SER QB 386 no 50.0 26.1 0.035 0.134 0.099 2 0 no 0.647 0 2
1 67 TRP QB 362 no 50.0 0.2 0.049 26.596 26.547 4 1 yes 8.954 16 17
1 68 GLN QB 339 no 70.0 5.5 6.808 122.959 116.151 5 2 yes 15.937 10 19
1 68 GLN QG 369 yes 80.0 22.8 0.308 1.351 1.043 4 2 yes 1.808 2 6
1 69 TYR QB 351 no 60.0 2.8 6.749 241.194 234.445 5 4 yes 15.745 29 30
1 70 TYR QB 357 yes 100.0 26.8 4.389 16.348 11.960 4 0 yes 4.681 11 16
1 71 GLU QB 305 no 60.0 9.5 1.177 12.455 11.278 6 2 yes 4.948 20 27
1 71 GLU QG 381 no 40.0 1.7 0.007 0.425 0.418 3 1 yes 1.018 4 4
1 72 ARG QB 338 no 70.0 10.9 3.632 33.365 29.733 5 2 yes 8.053 10 10
1 72 ARG QD 296 no 70.0 10.4 3.267 31.498 28.232 7 4 yes 7.478 21 36
1 72 ARG QG 314 no 30.0 12.5 1.081 8.663 7.581 6 3 yes 3.991 14 19
1 74 VAL QG 356 no 70.0 52.2 0.609 1.167 0.558 4 0 yes 1.553 2 5
1 76 VAL QG 375 no 90.0 87.3 0.036 0.041 0.005 3 0 no 0.233 0 0
1 77 PRO QB 252 yes 80.0 11.7 9.165 78.594 69.428 8 4 yes 9.166 35 40
1 77 PRO QD 380 yes 90.0 26.6 0.440 1.651 1.211 3 1 yes 1.681 6 6
1 77 PRO QG 392 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 78 MET QB 355 no 70.0 0.2 0.072 38.580 38.508 4 0 yes 7.604 10 23
1 78 MET QG 385 no 90.0 63.5 0.297 0.467 0.171 2 0 no 0.768 0 1
1 79 TYR QB 374 no 60.0 29.8 0.168 0.562 0.395 3 0 yes 1.061 1 6
1 80 ARG QB 337 no 60.0 1.0 0.002 0.217 0.215 5 2 no 0.783 0 3
1 80 ARG QD 239 no 60.0 7.8 6.043 77.034 70.990 8 2 yes 6.496 48 50
1 80 ARG QG 313 no 70.0 10.0 6.632 66.102 59.471 6 3 yes 7.919 22 25
1 81 GLY QA 354 no 60.0 7.9 3.692 46.677 42.985 4 0 yes 8.117 15 19
1 82 LEU QB 97 no 60.0 6.0 8.512 142.759 134.248 15 7 yes 17.966 32 46
1 82 LEU QD 150 no 70.0 6.4 30.866 483.670 452.804 13 7 yes 19.422 47 50
1 83 GLU QB 280 no 60.0 5.9 8.718 147.511 138.793 7 2 yes 15.980 13 22
1 83 GLU QG 230 no 80.0 15.3 2.297 14.977 12.680 9 4 yes 4.243 22 27
1 84 ASP QB 171 no 70.0 2.7 2.720 99.015 96.295 11 0 yes 9.313 51 68
1 85 LEU QB 329 yes 100.0 43.2 0.353 0.816 0.463 5 1 yes 0.804 0 7
1 85 LEU QD 238 yes 90.0 19.7 22.120 112.542 90.422 8 2 yes 8.465 42 44
1 87 PRO QB 336 no 60.0 15.9 1.076 6.760 5.684 5 2 yes 4.008 10 10
1 87 PRO QD 379 no 80.0 16.0 0.080 0.501 0.421 3 1 yes 1.190 1 4
1 87 PRO QG 378 no 70.0 7.0 0.176 2.509 2.332 3 1 yes 2.136 9 14
1 88 GLY QA 328 no 80.0 33.1 0.230 0.694 0.464 5 1 no 0.974 0 4
1 89 LEU QB 304 no 60.0 41.7 0.299 0.718 0.419 6 2 yes 1.151 3 6
1 89 LEU QD 160 no 50.0 8.3 3.224 38.928 35.703 12 4 yes 7.834 33 45
1 90 LYS QB 335 no 70.0 15.5 0.050 0.321 0.271 5 2 no 0.719 0 3
1 90 LYS QD 368 no 70.0 18.8 0.876 4.662 3.786 4 2 yes 3.009 9 14
1 90 LYS QG 367 no 60.0 4.0 0.022 0.556 0.533 4 2 yes 1.088 2 5
1 91 VAL QG 274 no 80.0 8.9 2.411 26.942 24.531 7 1 yes 5.348 19 29
1 92 SER QB 312 no 40.0 28.2 1.063 3.769 2.706 6 3 yes 2.151 2 5
1 93 ILE QG 353 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 94 ARG QB 287 no 70.0 5.9 1.317 22.303 20.986 7 3 yes 7.231 20 26
1 94 ARG QD 202 no 70.0 8.2 1.655 20.175 18.520 10 3 yes 4.540 32 45
1 94 ARG QG 393 yes 100.0 100.0 0.163 0.163 0.000 2 2 no 0.000 0 0
1 96 VAL QG 273 no 80.0 65.7 3.386 5.157 1.771 7 1 yes 1.512 2 6
1 97 CYS QB 286 no 40.0 5.7 0.393 6.928 6.535 7 3 yes 3.100 14 20
1 98 VAL QG 251 no 60.0 16.9 1.738 10.260 8.522 8 4 yes 3.104 12 24
1 99 MET QB 285 no 80.0 15.0 2.340 15.635 13.295 7 3 yes 3.264 17 17
1 99 MET QG 229 yes 80.0 12.0 6.006 49.863 43.857 9 4 yes 5.808 33 38
1 100 ARG QB 377 no 100.0 100.0 0.081 0.081 0.000 3 1 no 0.412 0 0
1 100 ARG QD 391 no 80.0 56.1 0.899 1.603 0.704 2 1 yes 1.407 2 10
1 100 ARG QG 284 no 80.0 15.6 2.762 17.710 14.948 7 3 yes 4.171 24 28
1 101 PHE QB 303 no 100.0 79.2 1.103 1.392 0.289 6 2 no 0.522 0 1
1 101 PHE QD 384 no 80.0 57.6 11.018 19.139 8.121 2 0 yes 4.483 12 12
1 101 PHE QE 390 yes 90.0 59.2 4.343 7.342 2.998 2 1 yes 2.331 10 12
1 102 LEU QB 347 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 102 LEU QD 382 yes 80.0 16.6 2.731 16.455 13.724 3 2 yes 5.433 8 8
1 103 VAL QG 399 yes 80.0 96.6 0.650 0.672 0.023 1 0 no 0.392 0 0
1 104 SER QB 373 no 70.0 40.6 6.106 15.030 8.924 3 0 yes 4.889 10 10
1 105 LYS QB 257 no 60.0 44.4 0.361 0.812 0.451 8 5 yes 0.764 0 8
1 105 LYS QD 295 yes 100.0 29.5 3.590 12.188 8.598 7 4 yes 2.940 18 19
1 105 LYS QE 126 yes 80.0 15.6 2.110 13.508 11.398 14 9 yes 3.110 26 34
1 105 LYS QG 169 yes 90.0 6.3 0.966 15.430 14.463 12 8 yes 3.006 21 26
1 106 ARG QB 334 yes 100.0 96.6 0.988 1.023 0.034 5 2 no 0.249 0 0
1 106 ARG QD 366 no 80.0 38.0 0.220 0.578 0.358 4 2 yes 1.312 2 2
1 106 ARG QG 346 no 80.0 60.1 1.003 1.670 0.667 5 3 no 0.370 0 0
1 107 LYS QB 311 no 90.0 20.7 0.740 3.568 2.828 6 3 yes 1.418 4 30
1 107 LYS QD 345 yes 80.0 37.9 1.543 4.071 2.529 5 3 yes 1.949 7 16
1 107 LYS QE 310 yes 100.0 25.7 3.365 13.085 9.720 6 3 yes 3.181 20 25
1 107 LYS QG 309 yes 80.0 39.8 1.302 3.268 1.966 6 3 yes 1.546 8 8
1 108 PHE QB 201 no 100.0 29.6 1.694 5.723 4.029 10 3 yes 1.930 13 29
1 108 PHE QD 327 no 100.0 51.8 10.906 21.066 10.161 5 1 yes 2.719 29 33
1 109 LYS QB 344 no 90.0 62.2 0.337 0.541 0.204 5 3 no 0.031 0 0
1 109 LYS QD 343 no 30.0 50.8 0.280 0.551 0.271 5 3 yes 1.243 2 5
1 109 LYS QE 294 yes 90.0 14.2 2.481 17.431 14.950 7 4 yes 3.125 22 31
1 109 LYS QG 250 yes 100.0 52.3 1.503 2.872 1.369 8 4 yes 0.968 0 15
1 110 GLU QB 326 no 70.0 30.3 0.219 0.724 0.505 5 1 yes 1.297 1 14
1 110 GLU QG 342 no 70.0 26.8 5.650 21.067 15.417 5 3 yes 4.867 17 23
1 111 SER QB 187 no 40.0 16.7 2.357 14.109 11.752 11 5 yes 4.115 24 42
1 112 LEU QB 163 no 40.0 42.4 0.931 2.195 1.264 12 5 yes 0.840 0 23
1 112 LEU QD 113 no 100.0 41.8 26.021 62.192 36.171 14 4 yes 6.441 41 46
1 113 ARG QB 165 yes 90.0 56.6 3.912 6.914 3.003 12 6 yes 2.447 11 20
1 113 ARG QD 214 yes 90.0 28.4 8.227 28.987 20.761 10 6 yes 5.850 22 27
1 113 ARG QG 166 yes 80.0 28.2 6.339 22.516 16.177 12 7 yes 5.402 11 18
1 114 LEU QB 209 no 90.0 70.2 0.382 0.544 0.162 10 4 no 0.739 0 2
1 114 LEU QD 90 no 40.0 4.5 0.820 18.297 17.477 15 4 yes 4.763 34 59
1 115 ASP QB 325 no 50.0 10.2 1.207 11.857 10.650 5 1 yes 4.276 8 12
2 3 ASP QB 352 no 50.0 3.8 0.029 0.765 0.736 4 0 yes 1.398 3 6
2 4 GLN QB 133 no 70.0 23.4 6.314 27.033 20.719 13 3 yes 4.751 40 68
2 4 GLN QG 361 no 70.0 25.8 3.731 14.449 10.717 4 1 yes 3.535 19 24
2 5 LEU QB 279 no 70.0 49.7 1.129 2.272 1.143 7 2 yes 1.494 6 13
2 5 LEU QD 333 no 70.0 5.2 0.967 18.603 17.636 5 2 yes 3.515 18 20
2 7 GLU QB 194 yes 100.0 38.0 17.607 46.300 28.694 10 2 yes 5.878 45 69
2 7 GLU QG 302 no 90.0 13.3 3.028 22.723 19.695 6 2 yes 4.826 12 20
2 8 GLU QB 177 no 100.0 25.0 10.090 40.343 30.253 11 3 yes 5.406 21 26
2 8 GLU QG 249 no 80.0 16.6 7.927 47.748 39.821 8 4 yes 5.971 36 42
2 9 GLN QB 153 no 40.0 12.5 4.368 35.034 30.666 12 2 yes 6.391 45 59
2 9 GLN QG 221 no 40.0 4.4 0.682 15.492 14.810 9 2 yes 4.658 29 39
2 10 ILE QG 372 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 12 GLU QB 124 no 100.0 15.7 5.033 31.974 26.941 14 7 yes 6.429 16 21
2 12 GLU QG 67 yes 100.0 54.1 24.744 45.711 20.967 17 7 yes 3.243 19 51
2 13 PHE QB 26 yes 90.0 52.3 6.376 12.195 5.819 21 8 yes 1.355 2 24
2 13 PHE QD 73 yes 100.0 58.0 24.611 42.403 17.792 17 10 yes 5.076 36 61
2 13 PHE QE 318 yes 90.0 73.1 4.032 5.519 1.487 6 4 yes 1.256 4 4
2 14 LYS QB 119 yes 80.0 19.1 1.382 7.253 5.870 14 6 yes 1.415 29 30
2 14 LYS QD 83 yes 100.0 70.3 19.685 27.993 8.308 16 9 yes 2.398 19 40
2 14 LYS QE 322 no 40.0 45.5 0.140 0.307 0.167 6 5 no 0.131 0 0
2 14 LYS QG 143 yes 100.0 66.6 6.965 10.456 3.491 13 5 yes 1.543 16 31
2 15 GLU QB 128 no 100.0 29.2 4.914 16.825 11.911 13 1 yes 3.469 45 61
2 15 GLU QG 272 no 70.0 6.9 1.050 15.195 14.144 7 1 yes 4.559 33 41
2 17 PHE QB 11 no 80.0 37.3 6.656 17.853 11.197 24 11 yes 1.966 30 58
2 17 PHE QD 123 no 70.0 52.6 17.447 33.176 15.729 14 7 yes 4.531 22 32
2 17 PHE QE 89 no 60.0 46.2 24.489 53.016 28.527 15 4 yes 4.091 39 60
2 18 SER QB 182 yes 100.0 41.3 5.679 13.767 8.088 11 4 yes 2.583 18 28
2 19 LEU QB 25 yes 80.0 31.2 2.366 7.582 5.217 21 8 yes 3.691 10 23
2 19 LEU QD 162 yes 80.0 66.9 3.243 4.845 1.601 12 5 yes 2.376 5 12
2 20 PHE QB 63 yes 100.0 83.3 10.664 12.796 2.132 17 6 yes 1.266 7 23
2 20 PHE QD 30 no 70.0 51.5 20.703 40.174 19.471 20 5 yes 4.072 35 43
2 20 PHE QE 112 no 90.0 46.0 13.097 28.442 15.345 14 4 yes 3.433 32 41
2 21 ASP QB 28 yes 100.0 77.7 12.354 15.899 3.545 20 4 yes 1.663 14 30
2 22 LYS QB 142 yes 100.0 39.6 5.659 14.298 8.639 13 5 yes 2.771 25 35
2 22 LYS QD 332 no 50.0 5.0 1.369 27.129 25.760 5 2 yes 5.705 20 20
2 22 LYS QE 181 yes 100.0 43.5 11.525 26.468 14.943 11 4 yes 3.372 32 44
2 22 LYS QG 134 yes 100.0 49.4 11.881 24.030 12.149 13 4 yes 3.016 24 33
2 23 ASP QB 132 yes 90.0 41.9 24.047 57.343 33.296 13 3 yes 3.587 67 76
2 24 GLY QA 271 yes 100.0 72.5 0.803 1.108 0.305 7 1 yes 0.686 0 6
2 25 ASP QB 193 no 100.0 45.6 6.371 13.970 7.599 10 2 yes 2.751 17 23
2 26 GLY QA 154 no 50.0 8.6 0.592 6.874 6.282 12 3 yes 3.283 15 17
2 28 ILE QG 324 no 20.0 6.4 0.082 1.283 1.201 5 0 yes 1.451 6 10
2 31 LYS QB 141 yes 90.0 54.6 9.800 17.952 8.153 13 5 yes 2.148 28 43
2 31 LYS QD 180 no 60.0 22.2 7.762 34.938 27.176 11 4 yes 5.288 54 69
2 31 LYS QE 248 yes 80.0 22.5 3.897 17.338 13.441 8 4 yes 4.144 22 30
2 31 LYS QG 118 no 70.0 39.2 2.572 6.560 3.988 14 6 yes 3.047 20 33
2 32 GLU QB 3 yes 100.0 70.4 27.777 39.477 11.700 27 5 yes 2.561 31 60
2 32 GLU QG 39 yes 100.0 31.4 17.333 55.167 37.834 19 6 yes 4.985 56 69
2 33 LEU QB 49 no 50.0 4.2 0.077 1.832 1.754 18 6 yes 1.447 5 16
2 33 LEU QD 13 no 100.0 60.1 21.158 35.191 14.033 23 6 yes 3.572 39 74
2 34 GLY QA 270 no 100.0 30.8 1.075 3.488 2.413 7 1 yes 1.358 10 20
2 36 VAL QG 37 no 60.0 2.3 0.364 15.719 15.356 19 3 yes 4.129 26 50
2 37 MET QB 48 no 80.0 30.6 11.613 37.908 26.295 18 6 yes 6.096 36 47
2 37 MET QG 33 no 60.0 22.0 3.668 16.633 12.965 20 7 yes 3.784 42 57
2 38 ARG QB 159 yes 90.0 16.3 4.558 27.880 23.322 12 4 yes 5.488 33 51
2 38 ARG QD 190 no 50.0 2.3 1.104 48.102 46.998 11 6 yes 6.193 42 59
2 38 ARG QG 227 no 90.0 28.0 9.448 33.730 24.283 9 3 yes 5.118 17 36
2 39 SER QB 152 no 40.0 16.9 0.575 3.396 2.822 12 2 yes 1.420 7 16
2 40 LEU QB 179 yes 100.0 22.9 2.986 13.021 10.034 11 4 yes 5.116 3 11
2 40 LEU QD 246 yes 80.0 6.0 0.865 14.511 13.646 8 3 yes 5.180 12 14
2 41 GLY QA 237 no 60.0 4.7 0.052 1.089 1.037 8 2 yes 1.087 4 12
2 42 GLN QB 93 yes 90.0 29.2 11.147 38.164 27.017 15 6 yes 6.483 24 35
2 42 GLN QG 70 no 70.0 16.3 13.680 84.140 70.460 17 8 yes 7.263 62 87
2 43 ASN QB 365 no 50.0 11.6 3.980 34.358 30.378 4 2 yes 4.523 17 26
2 43 ASN QD 398 yes 80.0 62.0 1.535 2.475 0.940 1 0 yes 1.361 6 9
2 44 PRO QB 69 no 70.0 22.7 4.694 20.699 16.005 17 8 yes 3.446 44 55
2 44 PRO QD 57 no 50.0 0.2 0.061 24.634 24.573 18 10 yes 6.002 38 69
2 44 PRO QG 99 no 40.0 6.0 2.052 33.978 31.926 15 8 yes 5.153 42 67
2 46 GLU QB 236 no 100.0 40.3 8.744 21.677 12.933 8 2 yes 3.602 20 35
2 46 GLU QG 293 no 50.0 10.3 2.438 23.686 21.248 7 4 yes 6.756 11 11
2 48 GLU QB 140 yes 80.0 39.9 3.099 7.762 4.663 13 5 yes 2.224 8 16
2 48 GLU QG 192 no 80.0 54.0 14.296 26.490 12.195 10 2 yes 3.022 35 50
2 49 LEU QB 1 yes 100.0 21.0 18.638 88.833 70.195 31 10 yes 4.688 99 115
2 49 LEU QD 14 yes 100.0 56.1 16.174 28.843 12.669 23 8 yes 2.078 38 79
2 50 GLN QB 46 no 70.0 17.5 1.601 9.132 7.531 18 4 yes 2.587 16 57
2 50 GLN QG 148 yes 80.0 26.6 21.773 81.875 60.101 13 6 yes 8.222 59 68
2 51 ASP QB 77 yes 90.0 69.7 24.488 35.115 10.627 16 4 yes 2.270 39 74
2 52 MET QB 62 yes 80.0 2.8 0.725 26.320 25.595 17 6 yes 4.628 23 35
2 52 MET QG 139 no 60.0 6.5 0.469 7.267 6.798 13 5 yes 3.361 10 18
2 53 ILE QG 27 no 60.0 6.9 3.814 55.640 51.826 20 3 yes 5.892 60 84
2 54 ASN QB 76 yes 100.0 61.7 17.645 28.577 10.932 16 4 yes 3.039 29 51
2 54 ASN QD 200 yes 90.0 8.4 1.169 13.880 12.711 10 3 yes 4.379 36 54
2 55 GLU QB 117 no 70.0 54.4 0.225 0.414 0.189 14 6 no 0.278 0 0
2 55 GLU QG 54 no 70.0 5.7 0.783 13.670 12.887 18 8 yes 3.422 36 49
2 56 VAL QG 59 no 100.0 32.4 20.812 64.258 43.446 17 5 yes 5.165 74 100
2 57 ASP QB 5 no 60.0 25.6 5.352 20.938 15.586 25 3 yes 3.097 42 70
2 59 ASP QB 220 yes 80.0 24.7 3.303 13.350 10.048 9 2 yes 2.822 17 24
2 60 GLY QA 269 no 100.0 74.0 1.565 2.115 0.550 7 1 yes 1.345 1 6
2 61 ASN QB 199 no 80.0 38.1 5.891 15.444 9.553 10 3 yes 3.114 11 17
2 61 ASN QD 219 yes 80.0 18.5 3.567 19.300 15.733 9 2 yes 5.869 25 37
2 62 GLY QA 268 no 80.0 57.2 1.958 3.426 1.468 7 1 yes 1.868 2 12
2 64 ILE QG 6 yes 100.0 37.3 20.140 53.965 33.825 25 4 yes 6.104 60 83
2 65 ASP QB 107 yes 90.0 58.5 5.759 9.840 4.081 14 3 yes 2.405 8 15
2 66 PHE QD 147 yes 90.0 39.4 11.325 28.750 17.425 13 6 yes 3.213 30 39
2 66 PHE QE 186 yes 100.0 91.3 62.521 68.507 5.987 11 5 yes 2.755 17 27
2 67 PRO QB 235 yes 100.0 67.2 4.392 6.535 2.143 8 2 yes 1.237 7 30
2 67 PRO QG 308 yes 100.0 39.3 1.148 2.923 1.775 6 3 yes 1.468 8 18
2 68 GLU QB 45 no 60.0 21.0 4.933 23.469 18.536 18 4 yes 3.710 46 64
2 68 GLU QG 29 no 60.0 4.9 1.407 28.760 27.353 20 5 yes 4.692 42 59
2 69 PHE QB 91 no 100.0 40.5 11.581 28.606 17.025 15 5 yes 3.890 20 35
2 69 PHE QD 16 no 80.0 65.7 56.228 85.578 29.350 23 11 yes 4.198 41 59
2 69 PHE QE 198 no 80.0 66.2 28.211 42.643 14.432 10 3 yes 4.138 21 26
2 70 LEU QB 66 no 60.0 18.9 1.036 5.488 4.452 17 7 yes 1.920 6 13
2 70 LEU QD 19 yes 80.0 28.5 16.333 57.311 40.978 22 11 yes 8.554 41 49
2 72 MET QB 32 no 50.0 6.8 0.832 12.301 11.469 20 6 yes 3.450 18 18
2 72 MET QG 53 yes 80.0 13.2 9.688 73.535 63.847 18 8 yes 6.015 48 72
2 73 MET QB 35 yes 100.0 68.1 15.227 22.358 7.131 20 8 yes 2.220 17 54
2 73 MET QG 56 yes 80.0 59.0 11.825 20.034 8.209 18 9 yes 3.764 13 29
2 75 ARG QB 87 no 70.0 30.0 11.041 36.851 25.810 15 3 yes 4.400 53 76
2 75 ARG QD 208 no 60.0 15.3 5.845 38.156 32.311 10 4 yes 6.831 30 34
2 75 ARG QG 161 no 40.0 1.6 0.349 21.943 21.594 12 5 yes 6.241 19 33
2 76 LYS QB 55 no 60.0 13.2 4.745 35.895 31.150 18 9 yes 6.077 36 53
2 76 LYS QD 98 no 70.0 15.5 4.738 30.624 25.886 15 8 yes 4.330 48 73
2 76 LYS QE 82 no 70.0 13.2 8.057 61.156 53.099 16 9 yes 7.244 55 68
2 76 LYS QG 164 no 60.0 9.6 2.305 24.068 21.764 12 6 yes 4.284 36 42
2 77 MET QB 138 no 70.0 33.0 6.464 19.593 13.128 13 5 yes 3.595 26 44
2 77 MET QG 278 yes 80.0 29.7 1.630 5.495 3.865 7 2 yes 3.331 9 19
2 78 LYS QB 80 no 80.0 14.1 5.171 36.780 31.609 16 5 yes 4.677 54 67
2 78 LYS QD 158 no 70.0 5.5 4.090 74.699 70.609 12 4 yes 8.389 54 67
2 78 LYS QE 307 no 60.0 6.4 0.241 3.796 3.555 6 3 yes 2.041 12 18
2 78 LYS QG 111 yes 80.0 14.9 19.547 130.779 111.233 14 4 yes 9.712 52 67
2 79 ASP QB 38 no 50.0 8.4 12.880 152.866 139.986 19 4 yes 10.041 68 81
2 81 ASP QB 232 no 80.0 40.1 2.970 7.410 4.440 8 1 yes 1.919 15 27
2 82 SER QB 18 yes 80.0 21.0 31.847 151.578 119.730 22 5 yes 8.274 89 113
2 83 GLU QB 173 no 60.0 7.4 0.529 7.177 6.648 11 2 yes 3.861 18 26
2 83 GLU QG 172 no 70.0 1.0 0.391 40.756 40.366 11 2 yes 4.909 52 70
2 85 GLU QB 110 yes 100.0 51.8 13.268 25.599 12.331 14 4 yes 3.824 36 41
2 85 GLU QG 213 yes 90.0 23.9 5.883 24.633 18.750 10 5 yes 3.820 29 33
2 86 ILE QG 323 no 100.0 42.5 3.937 9.258 5.321 5 0 yes 4.088 10 11
2 87 ARG QB 122 yes 90.0 34.2 6.572 19.224 12.651 14 7 yes 3.883 30 46
2 87 ARG QD 146 no 60.0 9.5 2.395 25.175 22.780 13 6 yes 4.334 38 57
2 87 ARG QG 36 yes 100.0 55.5 28.694 51.656 22.962 20 12 yes 4.121 49 75
2 88 GLU QB 151 yes 90.0 6.8 1.511 22.315 20.805 12 2 yes 5.300 28 36
2 88 GLU QG 137 yes 80.0 36.0 17.283 47.969 30.686 13 5 yes 3.313 45 55
2 90 PHE QB 10 yes 100.0 40.9 4.894 11.957 7.063 24 10 yes 2.403 19 55
2 90 PHE QD 61 no 100.0 89.5 67.058 74.940 7.882 17 6 yes 2.190 18 26
2 90 PHE QE 145 no 100.0 79.0 40.165 50.824 10.659 13 6 yes 3.858 22 40
2 91 ARG QB 178 yes 90.0 29.4 3.841 13.048 9.206 11 4 yes 2.323 18 36
2 91 ARG QD 102 no 80.0 17.5 14.960 85.524 70.564 15 9 yes 7.912 44 51
2 91 ARG QG 65 no 60.0 15.0 5.768 38.411 32.642 17 7 yes 4.520 60 81
2 92 VAL QG 176 no 80.0 20.9 4.137 19.809 15.671 11 3 yes 4.053 24 46
2 93 PHE QB 136 no 80.0 16.6 4.087 24.580 20.493 13 5 yes 4.132 28 43
2 93 PHE QD 58 no 100.0 81.8 19.741 24.136 4.395 17 4 yes 2.789 12 15
2 93 PHE QE 86 no 100.0 86.2 65.183 75.594 10.411 15 3 yes 4.110 27 48
2 94 ASP QB 44 no 50.0 4.1 1.649 39.936 38.286 18 3 yes 4.710 54 79
2 95 LYS QB 247 yes 100.0 36.6 1.851 5.056 3.205 8 4 yes 1.593 14 16
2 95 LYS QD 306 yes 80.0 45.0 4.427 9.832 5.404 6 3 yes 2.528 13 14
2 95 LYS QE 341 no 90.0 29.5 1.986 6.726 4.740 5 3 yes 3.597 10 10
2 95 LYS QG 245 yes 80.0 20.9 4.972 23.789 18.818 8 3 yes 4.832 24 30
2 96 ASP QB 226 no 90.0 61.9 2.071 3.346 1.274 9 3 yes 2.056 2 2
2 97 GLY QA 197 no 100.0 53.0 10.325 19.466 9.142 10 3 yes 3.738 14 17
2 98 ASN QB 121 yes 100.0 33.4 7.019 20.989 13.970 14 7 yes 4.138 14 24
2 98 ASN QD 225 yes 100.0 39.0 5.734 14.698 8.964 9 3 yes 4.216 22 30
2 99 GLY QA 96 no 40.0 11.3 0.478 4.219 3.742 15 7 yes 2.690 10 16
2 100 TYR QB 41 no 80.0 32.0 5.288 16.511 11.222 19 9 yes 4.000 27 51
2 100 TYR QD 81 no 80.0 57.2 33.940 59.307 25.368 16 6 yes 4.682 49 72
2 100 TYR QE 350 no 100.0 45.4 14.971 32.949 17.978 5 4 yes 5.630 14 14
2 101 ILE QG 12 yes 80.0 23.8 8.972 37.768 28.795 23 6 yes 3.182 46 77
2 102 SER QB 85 yes 80.0 24.6 3.599 14.602 11.004 15 3 yes 2.567 28 42
2 105 GLU QB 79 no 50.0 8.4 1.382 16.485 15.103 16 5 yes 3.580 37 52
2 105 GLU QG 31 yes 90.0 13.2 7.725 58.360 50.635 20 6 yes 4.096 87 124
2 106 LEU QB 52 yes 100.0 46.9 2.385 5.083 2.698 18 8 yes 1.346 10 22
2 106 LEU QD 42 yes 80.0 5.1 0.792 15.488 14.696 19 10 yes 2.840 37 64
2 107 ARG QB 131 no 80.0 13.9 0.501 3.611 3.110 13 3 yes 2.067 9 30
2 107 ARG QD 292 no 50.0 19.6 1.931 9.868 7.937 7 4 yes 2.929 14 24
2 107 ARG QG 175 yes 80.0 21.6 2.162 9.992 7.830 11 3 yes 3.239 14 26
2 108 HIS QB 106 no 100.0 43.5 3.287 7.563 4.275 14 3 yes 2.371 5 38
2 109 VAL QG 60 no 60.0 33.9 1.110 3.271 2.162 17 6 yes 1.545 12 26
2 110 MET QB 7 yes 100.0 58.8 18.768 31.929 13.161 25 8 yes 2.557 40 55
2 110 MET QG 24 yes 100.0 60.3 4.289 7.113 2.824 21 8 yes 2.425 10 24
2 112 ASN QB 78 yes 100.0 77.4 12.525 16.179 3.654 16 5 yes 2.715 8 29
2 112 ASN QD 157 yes 100.0 45.8 2.743 5.994 3.252 12 4 yes 2.059 8 24
2 113 LEU QB 116 yes 100.0 61.2 5.960 9.736 3.776 14 6 yes 1.901 10 19
2 113 LEU QD 17 no 100.0 59.9 29.249 48.855 19.606 22 5 yes 3.505 50 79
2 114 GLY QA 135 yes 100.0 61.0 3.775 6.191 2.416 13 5 yes 1.786 8 16
2 115 GLU QB 84 yes 100.0 60.4 8.470 14.029 5.559 16 10 yes 2.158 15 28
2 115 GLU QG 95 no 70.0 26.8 3.138 11.726 8.587 15 7 yes 3.729 16 27
2 116 LYS QB 185 yes 100.0 64.8 2.726 4.206 1.480 11 5 yes 1.487 6 17
2 116 LYS QD 216 no 100.0 99.7 0.451 0.453 0.001 10 7 no 0.082 0 0
2 116 LYS QE 224 yes 90.0 27.8 8.122 29.173 21.050 9 3 yes 3.995 41 47
2 116 LYS QG 51 no 50.0 3.5 0.420 12.039 11.619 18 8 yes 3.019 31 51
2 117 LEU QB 47 yes 100.0 60.8 21.612 35.522 13.909 18 6 yes 2.619 36 56
2 117 LEU QD 64 no 100.0 32.2 6.552 20.356 13.805 17 7 yes 4.849 19 41
2 119 ASP QB 127 yes 80.0 20.8 1.762 8.468 6.707 13 1 yes 3.196 21 44
2 120 GLU QB 218 yes 100.0 49.9 5.703 11.425 5.722 9 2 yes 2.655 17 20
2 120 GLU QG 207 no 90.0 49.2 10.762 21.868 11.106 10 4 yes 2.437 35 42
2 121 GLU QB 23 yes 100.0 81.3 15.885 19.545 3.660 21 7 yes 2.206 14 37
2 121 GLU QG 184 no 100.0 65.2 7.185 11.021 3.837 11 5 yes 2.529 9 12
2 122 VAL QG 20 no 50.0 1.0 0.095 9.963 9.868 21 4 yes 3.085 27 56
2 123 ASP QB 74 no 70.0 25.2 6.659 26.377 19.717 16 2 yes 3.673 63 78
2 124 GLU QG 104 no 50.0 0.6 0.234 41.270 41.036 14 1 yes 3.744 76 86
2 125 MET QB 109 no 60.0 32.5 6.716 20.662 13.946 14 4 yes 3.453 36 42
2 125 MET QG 223 yes 80.0 26.7 1.694 6.346 4.652 9 3 yes 4.062 4 9
2 126 ILE QG 105 no 60.0 3.1 0.275 9.004 8.730 14 2 yes 3.558 16 30
2 127 ARG QB 88 no 50.0 20.7 2.193 10.589 8.396 15 4 yes 3.413 26 39
2 127 ARG QD 244 no 50.0 5.2 0.140 2.691 2.551 8 3 yes 1.779 8 22
2 127 ARG QG 206 no 30.0 4.1 0.545 13.374 12.829 10 4 yes 3.404 21 29
2 128 GLU QB 174 no 90.0 21.9 5.463 24.890 19.427 11 3 yes 5.351 15 27
2 128 GLU QG 156 yes 100.0 32.6 13.153 40.365 27.212 12 4 yes 4.326 39 46
2 130 ASP QB 231 no 100.0 74.5 3.923 5.269 1.345 8 1 yes 1.056 2 12
2 131 ILE QG 9 yes 80.0 9.2 6.154 66.665 60.511 24 4 yes 8.596 55 83
2 132 ASP QB 108 no 60.0 1.9 1.473 76.565 75.092 14 4 yes 7.163 46 62
2 133 GLY QA 205 no 70.0 4.1 1.875 45.385 43.510 10 4 yes 4.709 28 38
2 134 ASP QB 370 no 60.0 2.1 0.192 9.005 8.813 4 3 yes 3.248 9 20
2 135 GLY QA 130 no 90.0 17.2 3.280 19.101 15.821 13 3 yes 4.250 21 34
2 136 GLN QB 8 yes 100.0 30.4 78.665 258.745 180.080 25 10 yes 6.323 111 135
2 136 GLN QG 72 no 70.0 18.0 13.920 77.412 63.492 17 9 yes 6.343 56 77
2 137 VAL QG 75 no 100.0 62.6 17.076 27.259 10.183 16 3 yes 2.677 23 44
2 138 ASN QB 50 no 70.0 30.4 4.110 13.510 9.401 18 7 yes 3.641 20 36
2 138 ASN QD 115 no 50.0 1.3 0.185 13.985 13.800 14 6 yes 2.978 24 45
2 139 TYR QB 40 no 20.0 21.7 4.934 22.781 17.847 19 9 yes 5.657 31 52
2 139 TYR QD 2 no 80.0 77.7 108.263 139.399 31.136 28 12 yes 6.307 41 70
2 139 TYR QE 94 no 80.0 34.8 37.274 107.060 69.785 15 7 yes 7.898 58 76
2 140 GLU QB 222 yes 100.0 69.2 11.302 16.335 5.034 9 3 yes 1.428 14 23
2 140 GLU QG 196 yes 80.0 30.2 2.335 7.745 5.410 10 3 yes 2.167 22 28
2 141 GLU QB 204 no 60.0 37.4 3.937 10.522 6.584 10 4 yes 2.190 5 25
2 141 GLU QG 277 no 60.0 7.2 1.335 18.605 17.270 7 2 yes 3.588 36 38
2 142 PHE QB 34 no 40.0 8.2 1.808 22.009 20.200 20 8 yes 4.136 33 61
2 142 PHE QD 4 no 60.0 8.6 7.712 89.464 81.751 26 11 yes 5.156 107 128
2 142 PHE QE 144 yes 100.0 71.5 64.675 90.503 25.827 13 6 yes 6.824 29 43
2 143 VAL QG 22 no 100.0 68.4 24.493 35.792 11.300 21 7 yes 2.169 17 58
2 144 GLN QB 217 yes 80.0 36.4 4.756 13.057 8.301 9 2 yes 1.831 30 31
2 144 GLN QG 267 yes 100.0 65.8 7.104 10.794 3.690 7 1 yes 1.796 14 23
2 145 MET QB 15 yes 100.0 30.8 24.736 80.315 55.579 23 9 yes 6.858 49 91
2 145 MET QG 71 no 100.0 20.3 18.513 91.318 72.805 17 9 yes 7.934 42 50
2 146 MET QB 21 no 60.0 3.0 0.763 25.616 24.853 21 5 yes 4.216 56 74
2 146 MET QG 68 no 60.0 1.3 0.662 52.359 51.697 17 8 yes 4.883 50 71
2 149 LYS QB 397 no 60.0 44.7 0.282 0.630 0.348 1 0 yes 1.099 4 6
2 149 LYS QD 396 no 60.0 27.6 0.579 2.103 1.524 1 0 yes 1.874 5 7
2 149 LYS QE 395 no 60.0 26.8 0.673 2.510 1.837 1 0 yes 2.236 10 10
2 149 LYS QG 394 no 20.0 10.5 0.022 0.209 0.187 1 0 yes 1.027 1 2
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