NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651207 |
6vgb   |
30708 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6vgb
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 181
_Stereo_assign_list.Swap_count 35
_Stereo_assign_list.Swap_percentage 19.3
_Stereo_assign_list.Deassign_count 160
_Stereo_assign_list.Deassign_percentage 88.4
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 1404.309
_Stereo_assign_list.Total_e_high_states 1637.729
_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 22 GLY QA 110 yes 90.0 70.3 4.205 5.978 1.773 12 1 yes 2.301 18 41
1 23 LEU QB 103 no 45.0 1.5 0.046 3.078 3.032 14 6 yes 1.569 37 102
1 23 LEU QD 13 no 55.0 8.9 1.397 15.748 14.351 42 18 yes 2.492 97 237
1 24 LEU QB 15 no 100.0 33.9 5.698 16.789 11.092 40 16 yes 2.275 90 178
1 24 LEU QD 61 no 40.0 1.7 0.116 6.929 6.813 22 6 yes 2.802 45 121
1 25 VAL QG 18 no 90.0 25.9 3.091 11.937 8.846 39 11 yes 1.449 56 202
1 26 LEU QB 50 no 30.0 0.1 0.010 8.916 8.905 25 13 yes 4.689 96 192
1 26 LEU QD 47 no 50.0 0.6 0.040 6.871 6.830 26 13 yes 1.498 33 185
1 27 ILE QG 139 yes 90.0 47.0 1.079 2.295 1.217 7 0 yes 0.922 0 31
1 28 TRP QB 40 no 55.0 20.0 1.229 6.151 4.922 27 5 yes 2.118 31 104
1 29 SER QB 96 no 70.0 14.4 4.599 31.847 27.248 15 2 yes 6.771 34 84
1 30 ASN QB 115 no 65.0 0.9 2.925 322.978 320.053 11 0 yes 18.691 20 50
1 31 ASP QB 80 yes 100.0 13.8 0.474 3.435 2.962 18 0 yes 1.027 5 92
1 32 LYS QB 138 no 85.0 67.8 1.198 1.768 0.570 7 0 yes 1.414 5 7
1 32 LYS QD 179 yes 80.0 78.7 0.561 0.713 0.152 2 0 yes 1.251 2 2
1 32 LYS QE 126 no 70.0 23.0 19.065 82.879 63.814 9 1 yes 7.977 96 115
1 32 LYS QG 152 no 45.0 10.3 0.053 0.515 0.463 6 0 yes 1.066 6 9
1 33 LYS QB 114 yes 80.0 21.9 0.267 1.220 0.953 11 0 yes 1.054 2 28
1 33 LYS QD 163 no 75.0 0.0 0.000 0.066 0.066 4 0 no 0.548 0 2
1 33 LYS QG 151 no 50.0 4.9 0.015 0.304 0.289 6 0 no 0.867 0 8
1 34 LEU QB 28 no 30.0 1.0 0.064 6.489 6.425 33 6 yes 1.340 50 186
1 34 LEU QD 8 no 70.0 20.3 3.384 16.651 13.267 50 14 yes 2.864 64 231
1 35 ILE QG 105 yes 95.0 43.5 2.140 4.916 2.776 13 0 yes 1.421 9 91
1 36 GLU QB 137 yes 80.0 55.7 0.736 1.320 0.584 7 0 yes 1.052 2 14
1 36 GLU QG 124 no 35.0 2.5 0.054 2.204 2.150 9 0 yes 2.195 10 40
1 37 GLU QB 118 yes 80.0 88.2 3.068 3.477 0.409 10 0 yes 2.121 2 4
1 37 GLU QG 130 no 55.0 1.1 0.003 0.288 0.285 8 0 no 0.749 0 8
1 39 ARG QB 89 no 70.0 8.8 0.395 4.501 4.106 17 5 yes 1.697 44 93
1 39 ARG QD 157 no 50.0 15.6 0.100 0.640 0.540 5 1 yes 1.172 11 21
1 39 ARG QG 125 no 65.0 2.2 0.083 3.796 3.714 9 1 yes 2.595 9 26
1 40 LYS QB 101 no 95.0 41.5 0.410 0.987 0.578 14 2 no 0.847 0 8
1 40 LYS QE 178 no 40.0 55.9 0.199 0.355 0.157 2 0 no 0.930 0 5
1 40 LYS QG 120 no 55.0 6.7 0.037 0.556 0.518 10 2 no 0.773 0 21
1 41 MET QB 94 yes 85.0 17.3 0.939 5.422 4.483 16 5 yes 1.426 91 103
1 41 MET QG 20 no 80.0 2.5 0.299 11.766 11.467 37 9 yes 1.847 82 192
1 43 GLU QB 60 yes 85.0 13.9 0.485 3.489 3.004 22 2 yes 1.506 21 63
1 43 GLU QG 66 no 45.0 4.5 0.204 4.490 4.286 21 3 yes 3.868 9 50
1 44 LYS QB 117 no 40.0 64.4 1.355 2.105 0.750 10 0 yes 1.845 3 15
1 44 LYS QD 162 no 45.0 2.6 0.019 0.701 0.683 4 0 yes 1.435 5 12
1 44 LYS QE 177 yes 80.0 47.6 0.335 0.704 0.369 2 0 yes 1.084 5 7
1 44 LYS QG 161 no 75.0 19.9 0.047 0.235 0.188 4 0 no 0.837 0 5
1 46 ASN QB 92 no 40.0 29.2 0.148 0.508 0.360 16 0 no 0.677 0 18
1 47 LEU QB 102 no 80.0 46.7 1.510 3.234 1.724 14 6 yes 1.323 22 60
1 47 LEU QD 9 no 75.0 11.5 1.053 9.189 8.136 46 15 yes 1.892 41 163
1 48 TYR QB 35 no 95.0 46.7 6.335 13.551 7.217 28 4 yes 1.977 56 138
1 49 LEU QB 37 no 80.0 11.9 0.840 7.065 6.225 28 7 yes 1.414 78 183
1 49 LEU QD 6 no 75.0 14.7 2.156 14.641 12.485 57 13 yes 2.012 74 269
1 50 LEU QB 68 no 70.0 8.4 0.346 4.134 3.788 21 12 yes 1.434 41 103
1 50 LEU QD 44 no 55.0 25.4 2.780 10.939 8.159 26 9 yes 2.474 88 161
1 52 LEU QB 73 no 55.0 0.4 0.039 10.415 10.376 20 5 yes 1.899 111 173
1 52 LEU QD 54 no 35.0 14.9 3.983 26.815 22.832 24 12 yes 5.099 100 161
1 53 GLU QB 104 no 60.0 15.6 1.996 12.761 10.765 13 0 yes 2.832 76 123
1 53 GLU QG 150 no 55.0 7.7 0.051 0.661 0.610 6 0 yes 1.384 1 19
1 55 ASP QB 136 no 60.0 2.1 0.067 3.119 3.052 7 0 yes 1.279 35 64
1 56 ASP QB 99 no 50.0 7.5 0.261 3.484 3.223 14 0 yes 1.668 31 63
1 57 LYS QB 160 no 75.0 51.9 0.054 0.105 0.050 4 0 no 0.385 0 0
1 57 LYS QD 149 no 70.0 78.9 0.499 0.632 0.134 6 0 yes 1.934 6 8
1 57 LYS QG 148 no 30.0 0.4 0.001 0.304 0.303 6 0 no 0.987 0 9
1 58 LYS QB 129 yes 90.0 47.1 0.657 1.395 0.738 8 0 yes 1.061 1 21
1 58 LYS QG 128 no 75.0 28.1 0.267 0.949 0.682 8 0 yes 1.012 2 18
1 59 ILE QG 36 yes 75.0 6.3 0.877 13.871 12.994 28 5 yes 1.835 84 242
1 60 GLU QB 111 no 85.0 37.5 1.073 2.864 1.791 12 2 yes 1.981 13 31
1 60 GLU QG 112 no 45.0 8.1 0.089 1.099 1.009 12 4 yes 1.471 6 21
1 61 ASP QB 98 no 50.0 7.2 0.063 0.881 0.818 14 0 yes 0.943 0 22
1 62 ILE QG 27 yes 100.0 23.1 4.528 19.565 15.037 33 0 yes 1.863 132 283
1 63 LEU QB 22 no 55.0 6.7 0.982 14.580 13.598 36 16 yes 2.015 161 229
1 63 LEU QD 12 no 60.0 5.8 0.933 16.126 15.193 43 20 yes 2.626 147 236
1 64 LYS QB 133 yes 100.0 39.3 3.433 8.744 5.311 8 4 yes 2.321 24 32
1 64 LYS QG 181 no 85.0 81.1 0.006 0.007 0.001 2 2 no 0.380 0 0
1 65 SER QB 88 no 90.0 27.9 2.693 9.653 6.960 17 2 yes 2.023 33 89
1 66 LEU QB 26 no 70.0 7.5 1.243 16.657 15.414 34 9 yes 2.669 142 247
1 66 LEU QD 29 no 55.0 21.4 3.044 14.218 11.174 33 16 yes 2.170 102 202
1 67 GLY QA 75 no 100.0 50.0 8.692 17.389 8.696 20 11 yes 2.707 58 100
1 68 PRO QB 49 no 100.0 40.2 3.716 9.233 5.517 26 18 yes 2.245 21 106
1 68 PRO QD 52 no 85.0 21.1 1.330 6.301 4.971 25 18 yes 2.139 30 120
1 68 PRO QG 91 no 100.0 33.0 0.832 2.524 1.691 17 16 yes 1.223 20 100
1 69 PRO QB 86 no 100.0 4.2 0.302 7.146 6.844 18 13 yes 1.320 62 133
1 69 PRO QD 90 no 55.0 32.0 0.762 2.382 1.620 17 13 yes 1.319 23 83
1 69 PRO QG 123 no 55.0 16.6 0.824 4.962 4.137 10 10 yes 1.585 97 131
1 70 VAL QG 5 no 85.0 17.8 6.754 38.043 31.289 59 18 yes 2.593 235 386
1 71 LYS QB 46 no 70.0 2.9 0.421 14.374 13.953 26 12 yes 1.944 120 232
1 71 LYS QD 153 no 65.0 8.7 0.166 1.919 1.753 6 4 yes 1.388 35 40
1 71 LYS QG 142 no 75.0 13.7 0.459 3.354 2.895 7 3 yes 1.673 40 60
1 72 ILE QG 72 no 70.0 3.8 0.416 11.011 10.595 20 4 yes 2.468 79 155
1 73 LEU QB 107 no 100.0 49.0 6.657 13.575 6.917 13 5 yes 1.899 70 102
1 73 LEU QD 2 yes 75.0 26.5 9.196 34.730 25.534 84 32 yes 2.982 157 411
1 74 VAL QG 34 no 60.0 21.5 1.826 8.491 6.665 28 4 yes 2.397 31 130
1 75 LEU QB 25 yes 85.0 4.5 0.821 18.354 17.533 34 9 yes 2.059 161 272
1 75 LEU QD 7 no 50.0 6.2 1.773 28.825 27.051 51 15 yes 4.114 156 304
1 76 LEU QB 32 no 45.0 12.4 1.031 8.327 7.297 29 10 yes 2.977 68 156
1 76 LEU QD 3 no 50.0 5.8 1.414 24.360 22.946 65 14 yes 2.914 121 285
1 77 GLU QB 59 no 90.0 28.9 1.636 5.667 4.031 22 0 yes 1.770 33 70
1 77 GLU QG 33 no 40.0 16.6 0.757 4.558 3.801 28 2 yes 1.767 26 69
1 78 ASP QB 97 yes 75.0 15.0 0.801 5.330 4.529 14 0 yes 1.481 42 82
1 80 LYS QB 176 no 60.0 42.1 0.054 0.128 0.074 2 0 no 0.455 0 0
1 80 LYS QG 147 no 65.0 10.6 0.109 1.022 0.913 6 0 yes 1.578 5 20
1 81 ASP QB 127 yes 75.0 49.0 0.919 1.877 0.958 8 0 yes 1.362 8 16
1 83 ASP QB 56 yes 85.0 21.2 0.771 3.638 2.868 23 0 yes 1.395 19 59
1 84 LYS QB 74 yes 75.0 38.2 2.967 7.774 4.807 20 6 yes 3.707 25 53
1 84 LYS QD 146 no 55.0 27.7 0.400 1.446 1.045 6 0 yes 2.464 6 13
1 84 LYS QE 175 no 65.0 28.2 0.054 0.192 0.138 2 0 yes 1.085 1 5
1 84 LYS QG 174 no 60.0 15.4 0.028 0.181 0.153 2 0 no 0.970 0 5
1 85 VAL QG 4 yes 80.0 8.7 2.953 33.938 30.985 59 13 yes 2.977 226 355
1 86 LYS QB 41 yes 100.0 48.7 3.848 7.909 4.060 27 6 yes 1.312 31 96
1 86 LYS QD 122 no 55.0 2.9 0.148 5.081 4.934 10 5 yes 1.599 71 117
1 86 LYS QE 121 no 40.0 1.4 0.053 3.866 3.812 10 3 yes 1.774 33 67
1 86 LYS QG 82 no 80.0 19.5 0.500 2.562 2.063 18 2 yes 1.494 28 43
1 87 LYS QB 145 no 70.0 58.3 1.747 2.996 1.249 6 0 yes 1.938 8 16
1 87 LYS QD 159 no 45.0 3.6 0.010 0.271 0.261 4 0 no 0.883 0 8
1 87 LYS QE 173 no 25.0 0.6 0.002 0.376 0.374 2 0 yes 1.539 3 6
1 87 LYS QG 144 no 60.0 15.2 0.056 0.369 0.313 6 0 no 0.892 0 9
1 88 GLU QB 135 yes 95.0 97.3 0.741 0.761 0.020 7 0 no 0.178 0 0
1 88 GLU QG 132 no 60.0 31.8 1.382 4.351 2.969 8 2 yes 1.827 12 28
1 89 ILE QG 57 no 45.0 0.1 0.041 28.683 28.642 23 4 yes 2.847 206 292
1 90 GLU QB 78 no 80.0 7.8 0.723 9.298 8.575 19 1 yes 1.741 70 136
1 90 GLU QG 95 no 75.0 29.4 0.899 3.063 2.164 15 1 yes 1.618 27 48
1 91 LYS QB 93 no 70.0 31.7 0.327 1.031 0.704 16 2 yes 1.123 3 14
1 91 LYS QD 172 no 45.0 4.6 0.023 0.505 0.482 2 0 yes 1.728 3 6
1 91 LYS QE 171 yes 75.0 43.8 0.130 0.298 0.167 2 0 yes 1.265 2 3
1 91 LYS QG 141 yes 80.0 42.5 0.645 1.517 0.872 7 2 yes 1.308 3 24
1 92 LYS QB 77 yes 75.0 8.8 1.021 11.655 10.635 19 0 yes 2.140 83 133
1 92 LYS QE 158 no 70.0 27.4 0.337 1.228 0.892 4 0 yes 2.044 5 25
1 92 LYS QG 113 yes 95.0 20.3 0.537 2.646 2.109 11 0 yes 1.528 21 29
1 94 ARG QB 106 no 60.0 15.1 0.487 3.229 2.742 13 3 yes 1.408 13 56
1 94 ARG QD 119 no 40.0 3.6 0.050 1.373 1.324 10 2 yes 1.606 18 43
1 94 ARG QG 156 yes 85.0 50.0 0.474 0.949 0.475 5 1 yes 1.098 2 29
1 95 LYS QB 143 no 70.0 36.0 0.110 0.306 0.196 6 0 no 0.801 0 6
1 95 LYS QD 170 no 45.0 77.3 0.528 0.683 0.155 2 0 no 0.610 0 5
1 95 LYS QE 169 no 80.0 53.9 0.080 0.148 0.068 2 0 yes 1.147 1 5
1 95 LYS QG 165 no 45.0 3.4 0.006 0.185 0.178 3 0 no 0.737 0 4
1 96 LYS QB 38 no 50.0 13.3 1.516 11.419 9.903 27 2 yes 2.295 72 139
1 96 LYS QD 168 no 45.0 15.3 0.025 0.162 0.137 2 0 yes 1.290 1 5
1 96 LYS QE 180 no 50.0 35.6 0.391 1.099 0.708 2 2 yes 1.293 1 3
1 96 LYS QG 155 no 55.0 20.4 0.095 0.468 0.373 5 0 no 0.974 0 14
1 97 ASN QB 87 no 65.0 28.6 0.790 2.763 1.973 17 0 yes 1.845 19 42
1 98 LEU QB 21 yes 80.0 14.5 1.477 10.206 8.730 37 17 yes 1.502 121 180
1 98 LEU QD 14 no 50.0 6.7 0.482 7.209 6.727 41 29 yes 1.678 22 150
1 99 PRO QB 62 no 70.0 17.6 1.112 6.306 5.195 22 7 yes 1.475 73 136
1 99 PRO QD 16 no 70.0 3.7 0.605 16.345 15.739 40 35 yes 1.667 156 349
1 99 PRO QG 85 no 100.0 17.6 2.286 13.012 10.726 18 11 yes 1.630 166 236
1 100 VAL QG 58 no 55.0 4.2 0.143 3.398 3.255 22 0 yes 2.157 13 79
1 101 ARG QB 11 no 45.0 1.0 0.165 16.748 16.583 43 20 yes 2.094 131 260
1 101 ARG QD 64 no 55.0 4.7 0.317 6.748 6.431 22 14 yes 1.802 83 186
1 101 ARG QG 55 no 55.0 4.8 0.510 10.540 10.030 24 15 yes 1.806 119 185
1 102 ILE QG 69 no 100.0 31.8 4.945 15.547 10.602 20 3 yes 1.839 71 140
1 103 ARG QB 45 no 50.0 0.3 0.039 15.473 15.434 26 12 yes 1.825 137 221
1 103 ARG QD 48 no 55.0 4.1 0.434 10.568 10.135 26 15 yes 2.517 120 200
1 103 ARG QG 51 no 55.0 0.6 0.077 12.127 12.050 25 15 yes 1.858 163 219
1 104 LYS QB 42 no 70.0 11.8 1.486 12.609 11.123 27 7 yes 1.587 100 166
1 104 LYS QD 134 no 50.0 43.9 0.650 1.479 0.829 8 6 yes 1.074 9 50
1 104 LYS QE 164 no 65.0 25.3 0.322 1.271 0.950 4 3 yes 1.514 14 45
1 104 LYS QG 30 yes 80.0 15.8 2.382 15.074 12.692 31 8 yes 2.269 82 173
1 105 VAL QG 1 no 100.0 22.5 5.583 24.784 19.200 98 15 yes 1.726 84 422
1 107 SER QB 53 no 70.0 9.6 0.295 3.072 2.777 24 5 yes 1.262 12 56
1 108 PRO QB 84 yes 95.0 61.4 5.536 9.018 3.482 18 5 yes 1.657 9 82
1 108 PRO QD 63 no 65.0 17.3 0.561 3.253 2.692 22 14 yes 1.154 40 115
1 108 PRO QG 43 no 50.0 21.8 1.296 5.956 4.659 26 8 yes 2.220 28 124
1 109 ASP QB 71 no 45.0 23.2 0.536 2.315 1.779 20 4 yes 1.609 14 49
1 110 GLU QB 17 no 65.0 0.8 0.104 12.697 12.593 39 6 yes 2.323 106 190
1 110 GLU QG 81 no 65.0 27.6 0.807 2.924 2.118 18 2 yes 2.201 14 52
1 112 LYS QB 79 no 100.0 51.4 5.607 10.901 5.294 19 8 yes 1.472 39 74
1 112 LYS QD 116 no 85.0 37.4 0.539 1.439 0.901 10 0 yes 1.948 5 11
1 112 LYS QE 140 no 70.0 25.6 0.234 0.918 0.683 7 1 yes 1.399 17 22
1 112 LYS QG 76 no 100.0 48.1 1.910 3.971 2.061 19 0 yes 1.162 4 63
1 113 ARG QB 10 yes 85.0 10.0 1.361 13.651 12.290 44 15 yes 1.574 102 240
1 113 ARG QD 19 no 75.0 4.3 0.475 11.035 10.560 39 19 yes 1.556 104 224
1 113 ARG QG 31 no 100.0 14.1 1.433 10.152 8.719 31 21 yes 1.690 110 247
1 114 TRP QB 23 no 100.0 5.5 0.788 14.424 13.637 35 18 yes 2.087 155 241
1 115 ILE QG 67 no 85.0 7.5 0.572 7.586 7.014 21 5 yes 1.863 54 110
1 116 LYS QB 65 yes 80.0 31.6 1.283 4.058 2.774 21 3 yes 1.771 21 47
1 116 LYS QD 154 no 65.0 15.5 0.191 1.230 1.040 5 0 yes 1.605 9 19
1 116 LYS QE 166 no 50.0 12.1 0.115 0.950 0.835 3 1 yes 1.560 8 17
1 116 LYS QG 131 no 70.0 23.3 0.112 0.481 0.369 8 2 yes 1.033 1 27
1 117 GLU QB 39 no 60.0 0.2 0.015 7.447 7.431 27 3 yes 2.041 63 108
1 117 GLU QG 83 no 50.0 5.3 0.257 4.803 4.546 18 5 yes 1.790 59 105
1 118 PHE QB 24 yes 95.0 30.8 3.432 11.161 7.729 34 6 yes 1.696 90 148
1 119 SER QB 70 no 80.0 26.5 1.546 5.835 4.289 20 4 yes 2.068 43 92
1 120 GLU QB 100 no 80.0 32.5 1.570 4.826 3.256 14 1 yes 1.260 36 70
1 120 GLU QG 109 no 55.0 9.8 0.179 1.814 1.636 12 1 yes 1.455 22 42
1 121 GLU QB 167 no 50.0 54.5 0.110 0.202 0.092 2 0 no 0.584 0 4
1 121 GLU QG 108 no 70.0 25.2 0.550 2.186 1.636 12 0 yes 1.733 14 35
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