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 |
|
|
443725 |
2kff   |
16179 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kff
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 184
_Stereo_assign_list.Swap_count 13
_Stereo_assign_list.Swap_percentage 7.1
_Stereo_assign_list.Deassign_count 34
_Stereo_assign_list.Deassign_percentage 18.5
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 51.567
_Stereo_assign_list.Total_e_high_states 191.056
_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 7 ASP QB 171 yes 80.0 68.8 0.773 1.123 0.350 5 1 no 0.962 0 2
1 8 VAL QG 83 no 50.0 43.5 0.455 1.045 0.590 16 7 yes 1.474 2 7
1 9 GLU QB 161 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 9 GLU QG 148 no 70.0 80.7 0.229 0.284 0.055 8 4 no 0.000 0 0
1 10 TRP QB 146 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 11 VAL QG 26 no 60.0 25.2 1.190 4.727 3.537 25 7 yes 2.257 16 25
1 12 VAL QG 3 yes 90.0 83.8 1.016 1.212 0.196 52 19 yes 1.122 1 2
1 13 GLY QA 82 yes 80.0 93.5 1.169 1.250 0.081 16 7 no 0.612 0 2
1 14 LYS QB 143 no 80.0 30.2 0.087 0.286 0.200 9 5 no 0.201 0 0
1 14 LYS QD 176 no 40.0 66.1 0.012 0.018 0.006 4 1 no 0.172 0 0
1 14 LYS QE 175 no 30.0 93.5 0.093 0.099 0.006 5 2 no 0.168 0 0
1 14 LYS QG 133 no 70.0 7.9 0.036 0.456 0.420 10 4 yes 1.333 1 1
1 15 ASP QB 101 no 70.0 63.4 1.148 1.811 0.663 13 4 yes 1.421 2 7
1 16 LYS QB 73 no 70.0 81.1 0.546 0.673 0.127 17 10 no 0.199 0 0
1 16 LYS QD 166 no 30.0 73.3 0.330 0.450 0.120 6 4 no 0.830 0 1
1 16 LYS QE 150 no 40.0 99.8 0.427 0.428 0.001 8 8 no 0.094 0 0
1 16 LYS QG 34 no 100.0 98.0 0.628 0.641 0.013 23 11 no 0.612 0 2
1 17 PRO QB 58 yes 100.0 100.0 0.663 0.663 0.000 18 9 no 0.055 0 0
1 17 PRO QD 40 no 100.0 99.9 0.826 0.827 0.001 22 13 no 0.090 0 0
1 17 PRO QG 118 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 19 TYR QB 35 no 80.0 98.9 0.145 0.147 0.002 22 2 no 0.129 0 0
1 20 ASP QB 87 no 80.0 99.3 0.043 0.043 0.000 15 5 no 0.055 0 0
1 21 GLU QB 92 no 100.0 100.0 0.093 0.094 0.000 14 3 no 0.012 0 0
1 21 GLU QG 136 no 10.0 2.4 0.000 0.003 0.003 9 1 no 0.111 0 0
1 22 ILE QG 108 no 90.0 65.2 0.037 0.056 0.019 12 0 no 0.441 0 0
1 23 PHE QB 32 no 100.0 75.6 0.353 0.467 0.114 23 2 no 0.922 0 1
1 24 TYR QB 78 no 100.0 74.3 0.172 0.232 0.060 16 2 no 0.617 0 1
1 26 LEU QB 39 no 100.0 100.0 1.725 1.725 0.000 22 10 no 0.000 0 0
1 26 LEU QD 2 no 100.0 100.0 4.025 4.025 0.000 54 20 no 0.057 0 0
1 27 SER QB 90 no 40.0 43.3 0.458 1.059 0.601 15 12 no 0.703 0 1
1 28 PRO QB 20 no 100.0 99.8 0.205 0.205 0.000 26 8 no 0.051 0 0
1 28 PRO QD 19 no 100.0 70.9 0.984 1.388 0.404 27 13 yes 0.803 0 7
1 28 PRO QG 27 yes 90.0 93.7 0.663 0.708 0.045 25 10 no 0.617 0 1
1 29 VAL QG 38 no 70.0 2.7 0.047 1.744 1.697 22 9 yes 1.774 5 11
1 30 ASN QB 97 no 60.0 41.5 0.134 0.324 0.190 14 7 no 0.062 0 0
1 30 ASN QD 144 no 50.0 39.9 0.785 1.966 1.181 9 8 no 0.732 0 2
1 31 GLY QA 98 no 90.0 99.2 0.467 0.471 0.004 14 8 no 0.088 0 0
1 32 LYS QB 68 no 80.0 31.6 0.266 0.841 0.575 17 8 yes 1.249 3 5
1 32 LYS QD 105 no 70.0 57.7 0.194 0.336 0.142 13 6 no 0.796 0 3
1 32 LYS QE 77 no 40.0 11.4 0.104 0.914 0.809 17 11 yes 1.208 3 12
1 32 LYS QG 44 no 50.0 45.9 0.513 1.116 0.604 21 12 yes 1.749 2 5
1 33 ILE QG 86 no 100.0 99.9 2.393 2.396 0.002 15 1 no 0.083 0 0
1 35 GLY QA 22 no 100.0 97.0 0.357 0.368 0.011 26 10 no 0.330 0 0
1 37 ASN QB 10 no 100.0 95.5 1.760 1.843 0.083 32 13 no 0.703 0 1
1 37 ASN QD 51 no 10.0 6.9 0.001 0.013 0.012 19 9 no 0.145 0 0
1 39 LYS QB 42 no 20.0 29.4 0.006 0.020 0.014 21 9 no 0.330 0 0
1 39 LYS QD 84 no 40.0 25.5 0.201 0.786 0.585 16 8 yes 1.451 4 4
1 39 LYS QE 72 no 70.0 4.4 0.009 0.215 0.206 17 10 no 0.654 0 1
1 39 LYS QG 94 yes 100.0 98.5 0.393 0.399 0.006 14 6 no 0.222 0 0
1 40 LYS QB 120 no 70.0 21.8 0.328 1.506 1.177 12 7 yes 1.034 2 11
1 40 LYS QD 141 no 70.0 69.6 1.033 1.484 0.451 9 4 yes 0.910 0 12
1 40 LYS QE 119 no 60.0 0.5 0.003 0.590 0.587 12 7 yes 1.253 1 12
1 40 LYS QG 100 no 80.0 23.5 0.022 0.094 0.072 13 4 no 0.311 0 0
1 41 GLU QB 88 no 100.0 99.1 0.715 0.722 0.006 15 6 no 0.201 0 0
1 41 GLU QG 46 no 90.0 92.4 0.650 0.704 0.054 20 5 no 0.665 0 1
1 42 MET QB 81 no 40.0 4.0 0.010 0.252 0.242 16 6 no 0.222 0 0
1 42 MET QG 41 no 70.0 53.3 0.104 0.195 0.091 21 7 no 0.106 0 0
1 43 VAL QG 15 no 40.0 12.6 0.632 5.001 4.370 28 11 yes 2.569 11 23
1 44 LYS QB 170 no 60.0 64.0 0.163 0.255 0.092 5 0 no 0.611 0 2
1 44 LYS QD 114 no 80.0 48.7 0.547 1.124 0.577 12 4 no 0.848 0 2
1 44 LYS QE 174 no 70.0 12.4 0.235 1.897 1.662 5 2 no 0.511 0 1
1 44 LYS QG 147 no 80.0 73.0 0.271 0.371 0.100 8 2 no 0.690 0 1
1 45 SER QB 113 no 90.0 74.7 0.424 0.568 0.144 12 4 no 0.867 0 2
1 46 LYS QB 76 no 100.0 13.6 0.009 0.064 0.056 17 11 no 0.533 0 2
1 46 LYS QD 96 no 80.0 24.7 0.039 0.158 0.119 14 7 no 0.517 0 4
1 46 LYS QE 167 yes 90.0 58.4 0.283 0.484 0.201 6 5 no 0.649 0 5
1 46 LYS QG 128 no 80.0 24.3 0.120 0.495 0.375 11 7 no 0.649 0 1
1 47 LEU QB 47 no 100.0 99.0 4.326 4.372 0.045 20 10 no 0.494 0 0
1 47 LEU QD 33 no 70.0 69.2 0.295 0.426 0.131 23 10 no 0.739 0 3
1 48 PRO QB 52 yes 100.0 99.5 1.513 1.520 0.007 19 10 no 0.088 0 0
1 48 PRO QD 29 no 100.0 99.8 2.308 2.313 0.005 25 15 no 0.221 0 0
1 48 PRO QG 75 no 100.0 99.3 1.138 1.147 0.009 17 11 no 0.189 0 0
1 49 ASN QB 104 yes 90.0 96.5 1.537 1.593 0.056 13 6 no 0.555 0 1
1 49 ASN QD 142 no 60.0 49.4 1.386 2.803 1.417 9 5 yes 1.520 1 1
1 51 VAL QG 23 no 100.0 99.3 1.716 1.729 0.013 26 12 no 0.219 0 0
1 52 LEU QB 37 no 100.0 81.5 2.479 3.044 0.564 22 5 no 0.000 0 0
1 52 LEU QD 4 no 100.0 100.0 6.564 6.564 0.000 48 15 no 0.000 0 0
1 53 GLY QA 95 no 100.0 100.0 0.017 0.017 0.000 14 7 no 0.000 0 0
1 54 LYS QB 112 no 90.0 71.6 0.289 0.404 0.115 12 4 no 0.660 0 1
1 54 LYS QD 140 no 30.0 15.2 0.375 2.474 2.099 9 4 no 0.513 0 1
1 54 LYS QE 126 no 20.0 19.6 0.124 0.633 0.509 11 4 yes 1.231 1 5
1 54 LYS QG 103 yes 80.0 51.3 0.706 1.375 0.670 13 5 no 0.235 0 0
1 55 ILE QG 91 no 90.0 78.1 0.669 0.857 0.188 14 3 no 0.889 0 2
1 56 TRP QB 25 no 20.0 54.2 0.079 0.146 0.067 25 6 yes 1.111 1 1
1 57 LYS QB 130 no 90.0 51.3 0.302 0.589 0.286 10 3 yes 1.091 1 1
1 57 LYS QE 184 no 10.0 100.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 57 LYS QG 159 no 30.0 34.6 0.121 0.351 0.229 6 1 yes 0.904 0 5
1 58 LEU QB 64 no 30.0 36.7 0.167 0.454 0.287 17 6 yes 1.131 3 5
1 58 LEU QD 8 no 30.0 42.6 2.431 5.703 3.273 35 12 yes 2.983 14 20
1 60 ASP QB 36 no 50.0 98.5 0.004 0.004 0.000 22 4 no 0.024 0 0
1 61 VAL QG 13 no 100.0 99.8 5.114 5.125 0.011 31 14 no 0.131 0 0
1 62 ASP QB 102 no 90.0 65.1 0.865 1.329 0.463 13 5 yes 1.653 1 2
1 63 LYS QB 139 no 90.0 38.8 0.211 0.543 0.332 9 4 no 0.901 0 4
1 63 LYS QD 127 no 40.0 34.2 0.129 0.377 0.248 11 6 no 0.901 0 4
1 63 LYS QE 165 no 50.0 63.3 0.074 0.118 0.043 6 4 no 0.828 0 1
1 63 LYS QG 125 no 100.0 99.6 1.116 1.121 0.004 11 4 no 0.119 0 0
1 64 ASP QB 137 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0
1 65 GLY QA 61 no 60.0 99.9 0.023 0.023 0.000 17 2 no 0.009 0 0
1 66 LEU QB 99 no 100.0 0.0 0.000 0.000 0.000 13 4 no 0.000 0 0
1 66 LEU QD 9 no 100.0 99.0 10.547 10.652 0.105 33 13 no 0.796 0 2
1 67 LEU QB 21 no 100.0 100.0 0.077 0.077 0.000 26 9 no 0.000 0 0
1 67 LEU QD 1 no 100.0 100.0 5.483 5.484 0.001 66 23 no 0.059 0 0
1 68 ASP QB 80 no 50.0 12.3 0.023 0.185 0.162 16 6 no 0.237 0 0
1 69 ASP QB 110 no 80.0 21.7 0.025 0.115 0.090 12 2 no 0.922 0 1
1 70 GLU QB 109 no 100.0 100.0 3.320 3.321 0.002 12 2 no 0.079 0 0
1 70 GLU QG 124 no 70.0 97.9 0.051 0.052 0.001 11 4 no 0.094 0 0
1 71 GLU QB 67 no 60.0 100.0 0.028 0.028 0.000 17 8 no 0.000 0 0
1 71 GLU QG 55 no 80.0 100.0 0.065 0.065 0.000 18 6 no 0.009 0 0
1 72 PHE QB 16 no 100.0 81.4 0.022 0.027 0.005 27 7 no 0.163 0 0
1 74 LEU QB 24 no 100.0 99.9 0.635 0.635 0.001 25 6 no 0.080 0 0
1 74 LEU QD 5 no 60.0 39.0 1.984 5.085 3.101 47 21 yes 1.937 13 19
1 76 ASN QB 49 no 80.0 29.5 0.019 0.063 0.044 19 6 no 0.497 0 0
1 76 ASN QD 123 no 100.0 99.5 1.507 1.515 0.008 11 3 no 0.279 0 0
1 77 HIS QB 14 no 90.0 87.7 0.735 0.838 0.103 28 8 no 0.102 0 0
1 78 LEU QB 63 no 100.0 99.1 0.102 0.103 0.001 17 6 no 0.054 0 0
1 78 LEU QD 12 no 100.0 100.0 6.458 6.459 0.001 31 7 no 0.042 0 0
1 79 ILE QG 121 no 30.0 99.7 0.170 0.171 0.000 11 1 no 0.889 0 2
1 80 LYS QB 93 no 90.0 100.0 0.087 0.087 0.000 14 6 no 0.000 0 0
1 80 LYS QD 151 no 40.0 0.3 0.000 0.041 0.041 7 2 no 0.488 0 0
1 80 LYS QE 164 no 80.0 98.2 0.277 0.283 0.005 6 4 no 0.183 0 0
1 80 LYS QG 50 no 20.0 51.5 0.029 0.056 0.027 19 9 no 0.523 0 1
1 81 VAL QG 7 no 100.0 91.7 2.463 2.686 0.222 36 11 no 0.911 0 3
1 82 LYS QB 65 no 100.0 95.4 1.530 1.604 0.074 17 7 no 0.128 0 0
1 82 LYS QD 107 no 70.0 15.8 0.134 0.848 0.713 13 9 yes 1.134 2 5
1 82 LYS QE 74 no 80.0 81.9 0.608 0.742 0.134 17 11 no 0.487 0 0
1 82 LYS QG 66 no 70.0 64.6 0.466 0.721 0.256 17 8 yes 1.091 1 4
1 83 LEU QB 62 no 100.0 100.0 2.445 2.445 0.000 17 5 no 0.053 0 0
1 83 LEU QD 54 no 30.0 58.8 0.075 0.128 0.053 18 6 no 0.694 0 3
1 84 GLU QB 111 no 100.0 98.9 0.223 0.226 0.002 12 4 no 0.082 0 0
1 84 GLU QG 43 no 60.0 68.3 0.805 1.179 0.374 21 10 no 0.911 0 7
1 85 GLY QA 155 no 70.0 16.0 0.014 0.088 0.074 7 3 no 0.379 0 0
1 86 HIS QB 48 no 80.0 39.4 0.035 0.090 0.055 19 5 no 0.379 0 0
1 87 GLU QB 132 no 70.0 26.5 0.202 0.761 0.559 10 4 no 0.516 0 1
1 87 GLU QG 122 no 100.0 0.0 0.000 0.000 0.000 11 3 no 0.024 0 0
1 88 LEU QB 53 no 50.0 10.2 0.091 0.888 0.797 19 12 yes 1.326 3 7
1 88 LEU QD 18 no 60.0 66.9 2.168 3.242 1.073 27 11 yes 1.698 3 8
1 89 PRO QB 106 no 100.0 80.0 1.044 1.306 0.262 13 7 no 0.118 0 0
1 89 PRO QD 30 yes 90.0 100.0 1.013 1.013 0.000 25 17 no 0.025 0 0
1 89 PRO QG 85 no 100.0 95.6 0.460 0.482 0.021 16 9 no 0.000 0 0
1 91 ASP QB 79 yes 90.0 88.0 0.569 0.647 0.078 16 5 no 0.546 0 2
1 92 LEU QB 154 no 50.0 62.9 0.303 0.481 0.178 7 3 no 0.045 0 0
1 92 LEU QD 17 no 100.0 100.0 0.057 0.057 0.000 27 9 no 0.515 0 1
1 93 PRO QB 60 no 100.0 93.4 0.164 0.176 0.012 18 12 no 0.210 0 0
1 93 PRO QD 11 no 100.0 94.0 1.200 1.276 0.076 32 21 no 0.279 0 0
1 93 PRO QG 45 no 100.0 83.8 3.342 3.990 0.648 21 13 no 0.546 0 1
1 94 PRO QB 117 no 50.0 90.6 0.264 0.292 0.027 12 6 no 0.099 0 0
1 94 PRO QD 129 no 60.0 100.0 0.159 0.159 0.000 11 8 no 0.000 0 0
1 94 PRO QG 135 no 80.0 48.6 0.453 0.933 0.480 10 6 no 0.000 0 0
1 95 HIS QB 71 no 100.0 64.3 1.254 1.951 0.697 17 9 no 0.150 0 0
1 96 LEU QB 57 no 70.0 100.0 0.059 0.059 0.000 18 9 no 0.005 0 0
1 96 LEU QD 6 no 70.0 85.0 6.191 7.280 1.089 38 19 yes 1.458 3 9
1 97 VAL QG 28 no 70.0 65.4 5.489 8.394 2.905 25 11 yes 1.853 8 11
1 98 PRO QB 149 no 20.0 100.0 0.032 0.032 0.000 8 6 no 0.000 0 0
1 98 PRO QD 31 no 30.0 98.4 0.031 0.031 0.001 25 20 no 0.072 0 0
1 98 PRO QG 134 no 60.0 74.6 0.036 0.048 0.012 10 6 no 0.000 0 0
1 99 PRO QB 158 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 99 PRO QD 153 no 90.0 99.9 0.701 0.702 0.001 7 3 no 0.053 0 0
1 99 PRO QG 177 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 100 SER QB 152 no 50.0 70.0 0.403 0.576 0.173 7 3 no 0.232 0 0
1 101 LYS QB 131 yes 100.0 95.7 0.619 0.647 0.028 10 4 no 0.000 0 0
1 101 LYS QD 89 no 50.0 20.6 0.173 0.841 0.667 15 7 yes 1.729 4 6
1 101 LYS QE 70 no 40.0 6.8 0.029 0.426 0.397 17 9 yes 1.341 2 4
1 101 LYS QG 116 no 70.0 70.8 0.613 0.865 0.252 12 6 yes 1.287 2 6
1 102 ARG QB 138 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.000 0 0
1 102 ARG QD 59 no 60.0 24.2 0.012 0.050 0.038 18 11 no 0.583 0 1
1 102 ARG QG 115 no 70.0 59.8 0.297 0.497 0.199 12 6 yes 1.041 1 3
1 102 ARG QH2 163 no 100.0 99.9 1.848 1.851 0.003 6 4 no 0.089 0 0
1 103 ARG QB 173 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 103 ARG QD 162 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 103 ARG QG 172 no 90.0 18.9 0.006 0.031 0.026 5 2 no 0.561 0 1
1 104 HIS QB 156 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 105 GLU QB 169 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.041 0 0
1 105 GLU QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 2 ASN QB 183 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 2 ASN QD 182 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 3 TYR QB 145 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.025 0 0
2 4 GLU QB 157 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
2 4 GLU QG 178 no 20.0 100.0 0.000 0.000 0.000 3 1 no 0.000 0 0
2 5 SER QB 168 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
2 7 ASN QB 160 no 70.0 99.5 0.098 0.098 0.000 6 2 no 0.068 0 0
2 7 ASN QD 69 no 100.0 98.7 0.480 0.486 0.006 17 9 no 0.085 0 0
2 8 PRO QB 179 no 100.0 99.0 0.334 0.337 0.003 3 2 no 0.112 0 0
2 8 PRO QG 181 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 9 PHE QB 56 no 100.0 98.0 1.020 1.041 0.020 18 7 no 0.259 0 0
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