NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601965 |
2n82   |
25831 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2n82
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 191
_Stereo_assign_list.Swap_count 5
_Stereo_assign_list.Swap_percentage 2.6
_Stereo_assign_list.Deassign_count 1
_Stereo_assign_list.Deassign_percentage 0.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 5.765
_Stereo_assign_list.Total_e_high_states 202.546
_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 1 G Q5' 93 no 100.0 0.0 0.000 0.073 0.073 7 1 no 0.657 0 2
1 2 G Q2 187 no 100.0 100.0 2.213 2.213 0.000 1 0 no 0.000 0 0
1 2 G Q5' 122 no 90.0 86.9 0.079 0.091 0.012 5 0 no 0.183 0 0
1 3 U Q5' 137 no 80.0 75.2 0.308 0.410 0.102 4 0 no 0.606 0 4
1 4 A Q5' 139 yes 90.0 48.9 0.119 0.243 0.124 4 1 no 0.559 0 5
1 5 G Q5' 60 no 100.0 94.9 1.435 1.511 0.077 9 3 no 0.339 0 0
1 6 U Q5' 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 U Q5' 109 no 95.0 99.1 5.181 5.230 0.049 6 0 no 0.424 0 0
1 9 U Q5' 155 no 65.0 91.4 0.419 0.459 0.039 3 0 no 0.339 0 0
1 10 G Q5' 186 no 70.0 11.4 0.029 0.258 0.229 1 0 yes 1.395 2 5
1 11 G Q5' 121 no 20.0 62.5 0.001 0.002 0.001 5 0 no 0.087 0 0
1 12 C Q5' 70 no 100.0 0.0 0.000 0.013 0.013 8 0 no 0.252 0 0
1 13 A Q5' 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 U Q5' 108 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 15 G Q5' 170 no 100.0 0.0 0.000 0.006 0.006 2 0 no 0.140 0 0
1 16 A Q5' 154 no 10.0 28.7 0.007 0.023 0.016 3 0 no 0.240 0 0
1 17 C Q5' 120 no 65.0 90.4 0.054 0.059 0.006 5 0 no 0.132 0 0
1 18 U Q5' 153 no 65.0 58.4 0.196 0.336 0.140 3 0 no 0.633 0 5
1 19 C Q5' 152 no 90.0 88.3 0.050 0.057 0.007 3 0 no 0.241 0 0
1 20 U Q5' 135 no 100.0 84.7 0.394 0.465 0.071 4 0 no 0.194 0 0
1 21 A Q5' 125 no 80.0 85.4 0.417 0.489 0.071 5 1 no 0.601 0 4
1 21 A Q6 151 no 100.0 100.0 2.190 2.190 0.000 3 0 no 0.000 0 0
1 22 C Q4 134 no 100.0 100.0 2.866 2.866 0.000 4 0 no 0.036 0 0
1 22 C Q5' 150 no 90.0 96.6 0.073 0.076 0.003 3 0 no 0.172 0 0
1 23 C Q4 185 no 55.0 96.1 0.239 0.249 0.010 1 0 no 0.230 0 0
1 23 C Q5' 69 no 100.0 87.9 0.437 0.497 0.060 8 0 no 0.243 0 0
2 3 HIS QB 184 no 60.0 64.9 0.019 0.029 0.010 1 0 no 0.191 0 0
2 4 MET QB 183 no 25.0 5.4 0.000 0.008 0.007 1 0 no 0.151 0 0
2 4 MET QG 169 no 50.0 84.7 0.015 0.018 0.003 2 0 no 0.170 0 0
2 5 ASN QB 177 no 70.0 100.0 0.055 0.055 0.000 2 2 no 0.000 0 0
2 5 ASN QD 176 no 100.0 100.0 0.029 0.029 0.000 2 2 no 0.000 0 0
2 7 GLU QB 113 no 100.0 99.8 0.827 0.828 0.002 6 1 no 0.160 0 0
2 7 GLU QG 124 no 100.0 99.9 0.688 0.689 0.001 5 1 no 0.102 0 0
2 8 ASN QB 149 no 50.0 100.0 0.388 0.388 0.000 3 0 no 0.031 0 0
2 9 LYS QB 175 no 95.0 98.1 0.032 0.033 0.001 2 1 no 0.196 0 0
2 9 LYS QD 191 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 9 LYS QE 190 no 85.0 99.8 0.201 0.202 0.000 1 1 no 0.082 0 0
2 9 LYS QG 158 no 100.0 99.7 2.120 2.126 0.006 3 1 no 0.143 0 0
2 10 SER QB 84 no 100.0 99.7 6.105 6.123 0.018 8 3 no 0.182 0 0
2 11 GLN QB 116 no 55.0 17.7 0.012 0.068 0.056 6 2 no 0.268 0 0
2 11 GLN QE 130 yes 100.0 100.0 2.864 2.864 0.001 5 5 no 0.037 0 0
2 11 GLN QG 65 no 100.0 99.7 4.485 4.498 0.014 9 6 no 0.126 0 0
2 12 PRO QB 83 no 75.0 92.0 0.265 0.289 0.023 8 3 no 0.198 0 0
2 12 PRO QD 102 no 100.0 97.4 1.913 1.963 0.051 7 6 no 0.268 0 0
2 12 PRO QG 62 no 80.0 18.3 0.645 3.525 2.880 9 4 no 0.221 0 0
2 13 LYS QB 92 no 5.0 60.7 0.000 0.000 0.000 7 1 no 0.030 0 0
2 13 LYS QD 174 no 40.0 96.9 0.119 0.123 0.004 2 1 no 0.198 0 0
2 13 LYS QE 159 no 75.0 99.7 0.205 0.206 0.001 3 2 no 0.058 0 0
2 13 LYS QG 75 no 90.0 99.9 0.450 0.450 0.000 8 2 no 0.092 0 0
2 14 ARG QB 148 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.008 0 0
2 14 ARG QD 133 no 65.0 99.0 0.317 0.320 0.003 4 0 no 0.138 0 0
2 14 ARG QG 147 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 15 LEU QB 15 no 100.0 100.0 1.265 1.265 0.000 15 6 no 0.060 0 0
2 15 LEU QD 3 no 100.0 99.7 17.587 17.644 0.057 41 11 no 0.234 0 0
2 16 HIS QB 26 no 100.0 99.4 2.619 2.634 0.015 13 0 no 0.199 0 0
2 17 VAL QG 5 no 100.0 99.7 6.722 6.743 0.021 28 6 no 0.147 0 0
2 18 SER QB 14 no 65.0 98.7 0.109 0.110 0.001 15 5 no 0.080 0 0
2 19 ASN QB 32 no 100.0 99.5 1.701 1.710 0.009 13 4 no 0.142 0 0
2 19 ASN QD 20 yes 100.0 99.8 0.674 0.676 0.002 14 4 no 0.123 0 0
2 20 ILE QG 168 no 15.0 35.7 0.000 0.001 0.000 2 0 no 0.058 0 0
2 21 PRO QB 25 no 100.0 0.0 0.000 0.000 0.000 13 0 no 0.000 0 0
2 21 PRO QD 11 no 60.0 100.0 0.016 0.016 0.000 16 2 no 0.004 0 0
2 21 PRO QG 127 no 65.0 89.7 0.242 0.269 0.028 5 3 no 0.332 0 0
2 22 PHE QB 47 no 95.0 89.9 0.279 0.310 0.031 10 1 no 0.250 0 0
2 23 ARG QB 82 no 100.0 100.0 0.061 0.061 0.000 8 3 no 0.000 0 0
2 23 ARG QD 81 no 30.0 96.7 0.115 0.119 0.004 8 3 no 0.143 0 0
2 23 ARG QG 107 no 100.0 100.0 0.766 0.766 0.000 6 0 no 0.040 0 0
2 24 PHE QB 68 no 80.0 99.5 0.022 0.022 0.000 8 0 no 0.042 0 0
2 25 ARG QB 80 no 100.0 97.8 0.168 0.172 0.004 8 3 no 0.208 0 0
2 25 ARG QD 167 no 40.0 86.4 0.041 0.047 0.006 2 0 no 0.177 0 0
2 25 ARG QG 182 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 26 ASP QB 118 no 100.0 92.5 0.641 0.692 0.052 6 5 no 0.263 0 0
2 27 PRO QB 173 no 60.0 100.0 0.033 0.033 0.000 2 1 no 0.000 0 0
2 27 PRO QD 16 no 100.0 98.7 1.860 1.885 0.025 15 8 no 0.182 0 0
2 27 PRO QG 166 no 100.0 99.7 0.113 0.113 0.000 2 0 no 0.045 0 0
2 28 ASP QB 57 no 80.0 100.0 0.032 0.032 0.000 9 0 no 0.000 0 0
2 29 LEU QB 40 no 95.0 97.4 0.523 0.536 0.014 12 6 no 0.133 0 0
2 29 LEU QD 7 no 100.0 99.9 2.613 2.616 0.003 24 7 no 0.077 0 0
2 30 ARG QB 63 no 5.0 100.0 0.001 0.001 0.000 9 5 no 0.000 0 0
2 30 ARG QD 59 no 70.0 90.4 0.109 0.120 0.012 9 3 no 0.247 0 0
2 30 ARG QG 30 no 100.0 99.9 0.634 0.634 0.000 13 3 no 0.039 0 0
2 31 GLN QB 97 no 95.0 99.8 1.507 1.510 0.003 7 2 no 0.084 0 0
2 31 GLN QE 160 no 100.0 100.0 0.077 0.077 0.000 3 3 no 0.373 0 0
2 31 GLN QG 115 no 70.0 67.3 0.052 0.077 0.025 6 2 no 0.373 0 0
2 32 MET QB 31 no 100.0 99.7 0.934 0.936 0.003 13 4 no 0.108 0 0
2 32 MET QG 61 no 100.0 73.6 0.056 0.077 0.020 9 4 no 0.187 0 0
2 33 PHE QB 33 no 100.0 100.0 0.020 0.020 0.000 13 5 no 0.170 0 0
2 34 GLY QA 37 no 100.0 98.7 0.252 0.256 0.003 12 3 no 0.079 0 0
2 35 GLN QB 44 no 100.0 100.0 1.415 1.415 0.000 11 5 no 0.026 0 0
2 35 GLN QE 24 no 100.0 100.0 0.728 0.728 0.000 14 11 no 0.026 0 0
2 35 GLN QG 23 no 100.0 99.9 0.206 0.207 0.000 14 6 no 0.023 0 0
2 36 PHE QB 45 no 100.0 100.0 0.915 0.916 0.000 10 0 no 0.033 0 0
2 37 GLY QA 117 no 100.0 0.0 0.000 0.000 0.000 6 3 no 0.000 0 0
2 38 LYS QB 87 no 15.0 100.0 0.033 0.033 0.000 8 4 no 0.017 0 0
2 38 LYS QD 141 no 45.0 91.8 0.095 0.103 0.008 4 3 no 0.204 0 0
2 38 LYS QE 101 no 20.0 100.0 0.045 0.045 0.000 7 6 no 0.017 0 0
2 38 LYS QG 54 no 100.0 99.0 0.057 0.057 0.001 10 5 no 0.039 0 0
2 39 ILE QG 12 no 100.0 99.8 3.196 3.202 0.006 16 3 no 0.079 0 0
2 40 LEU QB 13 no 100.0 98.7 0.087 0.088 0.001 16 5 no 0.068 0 0
2 40 LEU QD 6 no 100.0 100.0 15.520 15.520 0.000 27 11 no 0.037 0 0
2 41 ASP QB 18 no 100.0 100.0 0.144 0.144 0.000 14 3 no 0.025 0 0
2 42 VAL QG 8 no 100.0 100.0 4.079 4.081 0.001 23 8 no 0.069 0 0
2 43 GLU QB 106 no 10.0 98.8 0.040 0.041 0.000 6 0 no 0.078 0 0
2 43 GLU QG 35 no 100.0 72.1 0.163 0.227 0.063 12 2 no 0.263 0 0
2 44 ILE QG 71 no 100.0 100.0 0.052 0.052 0.000 8 1 no 0.015 0 0
2 45 ILE QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 46 PHE QB 146 no 100.0 99.3 0.007 0.007 0.000 3 0 no 0.175 0 0
2 47 ASN QB 145 no 15.0 66.3 0.011 0.016 0.005 3 0 no 0.245 0 0
2 47 ASN QD 164 yes 100.0 99.5 0.200 0.201 0.001 2 0 no 0.135 0 0
2 48 GLU QB 91 no 35.0 10.9 0.011 0.097 0.086 7 1 no 0.343 0 0
2 48 GLU QG 46 no 60.0 14.9 0.031 0.210 0.178 10 1 no 0.977 0 2
2 49 ARG QB 49 no 95.0 76.6 0.251 0.328 0.077 10 2 no 0.339 0 0
2 49 ARG QD 29 no 95.0 51.6 0.072 0.140 0.068 13 3 no 0.325 0 0
2 49 ARG QG 90 no 100.0 96.7 1.385 1.433 0.048 7 1 no 0.435 0 0
2 50 GLY QA 132 no 95.0 63.0 0.027 0.043 0.016 4 0 no 0.256 0 0
2 51 SER QB 123 no 30.0 95.2 0.223 0.234 0.011 5 1 no 0.159 0 0
2 52 LYS QB 129 no 20.0 99.7 0.000 0.000 0.000 5 4 no 0.004 0 0
2 52 LYS QD 181 no 75.0 100.0 0.230 0.230 0.000 1 0 no 0.036 0 0
2 52 LYS QE 86 no 80.0 88.6 0.211 0.238 0.027 8 4 no 0.255 0 0
2 52 LYS QG 112 no 95.0 93.9 0.896 0.954 0.058 6 1 no 0.358 0 0
2 53 GLY QA 27 no 100.0 99.4 0.058 0.058 0.000 13 1 no 0.358 0 0
2 54 PHE QB 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 55 GLY QA 19 no 60.0 93.9 0.004 0.004 0.000 14 4 no 0.038 0 0
2 56 PHE QB 67 no 60.0 82.3 0.012 0.014 0.002 8 0 no 0.133 0 0
2 57 VAL QG 2 no 100.0 99.9 21.624 21.639 0.015 47 17 no 0.159 0 0
2 59 PHE QB 17 no 100.0 92.9 0.024 0.026 0.002 14 1 no 0.192 0 0
2 60 GLU QB 79 no 70.0 100.0 0.000 0.000 0.000 8 3 no 0.000 0 0
2 60 GLU QG 96 no 100.0 100.0 1.014 1.014 0.000 7 2 no 0.042 0 0
2 61 ASN QB 58 no 100.0 99.7 0.511 0.513 0.002 9 3 no 0.106 0 0
2 61 ASN QD 22 no 80.0 80.1 0.435 0.543 0.108 14 5 no 0.860 0 2
2 62 SER QB 39 no 100.0 99.9 1.389 1.390 0.001 12 6 no 0.092 0 0
2 64 ASP QB 74 no 100.0 99.6 0.528 0.530 0.002 8 2 no 0.084 0 0
2 66 ASP QB 66 no 100.0 99.2 2.443 2.463 0.020 8 0 no 0.261 0 0
2 67 ARG QB 38 no 100.0 98.3 0.495 0.504 0.009 12 4 no 0.124 0 0
2 67 ARG QD 55 no 90.0 89.4 0.102 0.115 0.012 10 6 no 0.250 0 0
2 67 ARG QG 73 no 100.0 94.4 0.482 0.510 0.029 8 2 no 0.250 0 0
2 69 ARG QB 53 no 20.0 91.1 0.048 0.052 0.005 10 5 no 0.116 0 0
2 69 ARG QD 85 no 100.0 99.8 1.087 1.089 0.002 8 4 no 0.116 0 0
2 69 ARG QG 89 no 80.0 27.4 0.007 0.026 0.019 7 1 no 0.159 0 0
2 70 GLU QB 111 no 100.0 100.0 2.837 2.837 0.001 6 1 no 0.048 0 0
2 70 GLU QG 28 no 100.0 97.4 1.518 1.559 0.041 13 3 no 0.203 0 0
2 71 LYS QB 48 no 100.0 100.0 1.635 1.635 0.000 10 2 no 0.020 0 0
2 71 LYS QD 138 no 80.0 95.4 0.039 0.041 0.002 4 1 no 0.116 0 0
2 71 LYS QE 99 no 90.0 68.8 0.004 0.006 0.002 7 3 no 0.171 0 0
2 71 LYS QG 10 no 85.0 36.3 0.013 0.037 0.023 18 7 no 0.203 0 0
2 72 LEU QB 52 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
2 72 LEU QD 1 no 100.0 99.6 5.626 5.651 0.025 54 22 no 0.249 0 0
2 73 HIS QB 51 no 100.0 99.9 0.821 0.822 0.001 10 3 no 0.063 0 0
2 74 GLY QA 56 no 100.0 98.9 0.156 0.158 0.002 10 7 no 0.088 0 0
2 76 VAL QG 9 no 100.0 100.0 15.387 15.393 0.006 21 8 no 0.120 0 0
2 77 VAL QG 43 no 100.0 99.8 2.058 2.063 0.005 11 4 no 0.081 0 0
2 78 GLU QB 95 no 100.0 93.2 0.019 0.021 0.001 7 2 no 0.131 0 0
2 78 GLU QG 78 no 95.0 100.0 0.227 0.227 0.000 8 3 no 0.000 0 0
2 79 GLY QA 77 no 100.0 100.0 1.821 1.821 0.000 8 3 no 0.045 0 0
2 80 ARG QB 114 no 15.0 33.7 0.025 0.073 0.048 6 2 no 0.294 0 0
2 80 ARG QD 72 no 85.0 7.7 0.002 0.029 0.027 8 2 no 0.457 0 0
2 80 ARG QG 119 no 10.0 93.2 0.002 0.003 0.000 5 0 no 0.055 0 0
2 81 LYS QB 64 no 85.0 74.1 0.015 0.021 0.005 9 6 no 0.120 0 0
2 81 LYS QD 128 no 15.0 74.4 0.002 0.003 0.001 5 4 no 0.058 0 0
2 81 LYS QE 103 no 40.0 99.8 0.629 0.630 0.001 7 7 no 0.088 0 0
2 81 LYS QG 21 no 100.0 99.8 0.535 0.535 0.001 14 5 no 0.084 0 0
2 82 ILE QG 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 83 GLU QB 42 no 20.0 45.8 0.001 0.001 0.001 11 3 no 0.074 0 0
2 83 GLU QG 94 no 100.0 99.6 3.830 3.847 0.016 7 2 no 0.162 0 0
2 84 VAL QG 4 no 100.0 100.0 12.747 12.753 0.006 36 11 no 0.099 0 0
2 85 ASN QB 76 no 100.0 46.6 0.000 0.001 0.001 8 3 no 0.075 0 0
2 85 ASN QD 98 no 15.0 15.9 0.005 0.031 0.026 7 3 no 0.492 0 0
2 86 ASN QB 110 no 75.0 61.6 0.013 0.021 0.008 6 1 no 0.149 0 0
2 86 ASN QD 172 yes 100.0 100.0 0.179 0.179 0.000 2 1 no 0.000 0 0
2 90 ARG QB 41 no 10.0 61.8 0.011 0.017 0.007 12 7 no 0.238 0 0
2 90 ARG QD 34 no 100.0 89.5 0.419 0.468 0.049 13 6 no 0.470 0 0
2 90 ARG QG 36 no 100.0 99.1 0.621 0.626 0.005 12 3 no 0.145 0 0
2 91 VAL QG 104 no 75.0 98.9 0.808 0.817 0.009 6 0 no 0.395 0 0
2 92 MET QB 144 no 80.0 98.8 0.996 1.008 0.012 3 0 no 0.214 0 0
2 92 MET QG 143 no 25.0 98.5 0.080 0.082 0.001 3 0 no 0.125 0 0
2 94 ASN QB 142 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 95 LYS QB 140 no 40.0 99.1 0.049 0.049 0.000 4 2 no 0.075 0 0
2 95 LYS QD 180 no 55.0 95.2 0.134 0.140 0.007 1 0 no 0.197 0 0
2 95 LYS QE 126 no 60.0 99.3 0.526 0.530 0.004 5 3 no 0.174 0 0
2 95 LYS QG 157 no 30.0 99.2 0.086 0.086 0.001 3 1 no 0.071 0 0
2 96 LYS QB 179 no 60.0 99.8 0.224 0.225 0.000 1 0 no 0.083 0 0
2 98 VAL QG 88 no 100.0 100.0 1.156 1.156 0.000 7 0 no 0.022 0 0
2 99 ASN QB 100 no 80.0 99.7 0.616 0.618 0.002 7 4 no 0.161 0 0
2 99 ASN QD 189 no 30.0 100.0 0.001 0.001 0.000 1 1 no 0.000 0 0
2 100 PRO QB 163 no 15.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 100 PRO QD 50 no 100.0 100.0 0.003 0.003 0.000 10 3 no 0.127 0 0
2 100 PRO QG 162 no 10.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 101 TYR QB 161 no 30.0 52.1 0.004 0.007 0.003 2 0 no 0.167 0 0
2 103 ASN QB 156 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
2 103 ASN QD 188 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 104 GLY QA 178 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
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