NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588654 |
2mtp   |
25176 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mtp
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 193
_Stereo_assign_list.Swap_count 4
_Stereo_assign_list.Swap_percentage 2.1
_Stereo_assign_list.Deassign_count 11
_Stereo_assign_list.Deassign_percentage 5.7
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 18.939
_Stereo_assign_list.Total_e_high_states 175.279
_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 GLY QA 162 no 70.0 100.0 0.067 0.067 0.000 2 1 no 0.000 0 0
1 2 GLY QA 128 no 10.0 92.7 0.090 0.097 0.007 3 2 no 0.178 0 0
1 4 HIS QB 114 no 40.0 30.7 0.002 0.005 0.004 3 0 no 0.165 0 0
1 5 LYS QB 64 no 80.0 53.1 0.008 0.015 0.007 5 3 no 0.178 0 0
1 5 LYS QE 123 no 40.0 99.5 0.088 0.088 0.000 3 1 no 0.060 0 0
1 5 LYS QG 189 no 100.0 99.9 1.471 1.473 0.001 1 0 no 0.055 0 0
1 6 VAL QG 11 no 100.0 98.0 3.060 3.121 0.061 11 2 no 0.298 0 0
1 7 ARG QB 122 no 10.0 99.5 0.325 0.327 0.002 3 1 no 0.159 0 0
1 7 ARG QD 113 no 100.0 99.9 1.238 1.239 0.001 3 0 no 0.128 0 0
1 7 ARG QG 21 no 100.0 98.4 1.597 1.624 0.027 8 3 no 0.219 0 0
1 9 GLY QA 62 no 60.0 83.9 0.129 0.153 0.025 5 2 no 0.176 0 0
1 10 GLY QA 45 no 100.0 93.1 0.650 0.698 0.048 6 4 no 0.228 0 0
1 11 PRO QB 96 no 100.0 98.7 0.438 0.444 0.006 4 2 no 0.175 0 0
1 11 PRO QD 37 no 50.0 100.0 0.020 0.020 0.000 6 2 no 0.000 0 0
1 11 PRO QG 121 no 25.0 100.0 0.013 0.013 0.000 3 1 no 0.000 0 0
1 12 GLY QA 25 no 50.0 100.0 0.026 0.026 0.000 7 0 no 0.000 0 0
1 13 LEU QB 61 no 95.0 98.7 0.410 0.416 0.005 5 2 no 0.152 0 0
1 13 LEU QD 41 no 100.0 99.7 3.848 3.860 0.012 6 3 no 0.201 0 0
1 14 GLU QB 156 no 100.0 100.0 0.015 0.015 0.000 2 0 no 0.257 0 0
1 14 GLU QG 17 no 100.0 99.2 0.630 0.635 0.005 8 0 no 0.168 0 0
1 15 ARG QB 36 no 100.0 84.3 0.124 0.147 0.023 6 2 no 0.220 0 0
1 15 ARG QD 127 no 30.0 100.0 0.063 0.063 0.000 3 2 no 0.000 0 0
1 15 ARG QG 155 no 100.0 99.4 1.105 1.112 0.007 2 0 no 0.111 0 0
1 17 GLU QB 13 no 100.0 99.9 0.358 0.358 0.000 11 4 no 0.056 0 0
1 17 GLU QG 4 no 100.0 98.0 4.575 4.668 0.093 14 4 no 0.251 0 0
1 19 GLY QA 29 no 100.0 98.1 0.242 0.247 0.005 7 2 no 0.118 0 0
1 20 VAL QG 5 no 100.0 98.2 0.203 0.207 0.004 14 7 no 0.080 0 0
1 21 PRO QB 57 no 100.0 98.6 1.104 1.119 0.016 5 1 no 0.137 0 0
1 21 PRO QD 63 no 100.0 99.5 2.917 2.931 0.014 5 3 no 0.165 0 0
1 21 PRO QG 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 GLU QB 56 no 100.0 93.8 0.627 0.668 0.041 5 1 no 0.228 0 0
1 23 GLU QG 83 no 100.0 100.0 1.139 1.139 0.000 4 0 no 0.000 0 0
1 24 PHE QB 82 no 5.0 72.7 0.046 0.063 0.017 4 0 no 0.245 0 0
1 24 PHE QD 112 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 25 SER QB 65 no 100.0 99.5 6.904 6.938 0.035 5 4 no 0.219 0 0
1 26 ILE QG 164 no 100.0 96.5 0.579 0.600 0.021 2 2 no 0.176 0 0
1 27 TRP QB 95 no 65.0 99.9 1.160 1.160 0.001 4 2 no 0.102 0 0
1 29 ARG QB 120 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 29 ARG QD 119 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 29 ARG QG 188 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 30 GLU QB 111 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 30 GLU QG 153 no 100.0 100.0 0.334 0.334 0.000 2 0 no 0.003 0 0
1 32 GLY QA 51 no 100.0 99.9 0.090 0.090 0.000 5 0 no 0.044 0 0
1 34 GLY QA 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 GLY QA 110 no 100.0 100.0 0.001 0.001 0.000 3 0 no 0.106 0 0
1 36 LEU QB 88 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 36 LEU QD 40 no 55.0 99.8 0.284 0.285 0.001 6 3 no 0.087 0 0
1 38 ILE QG 126 no 95.0 98.8 0.784 0.794 0.010 3 2 no 0.158 0 0
1 40 VAL QG 6 no 60.0 83.2 0.255 0.306 0.051 13 1 no 0.315 0 0
1 41 GLU QB 24 no 100.0 98.5 4.360 4.426 0.065 7 0 no 0.491 0 0
1 41 GLU QG 109 no 90.0 99.9 1.268 1.269 0.001 3 0 no 0.118 0 0
1 42 GLY QA 28 no 100.0 96.9 1.738 1.793 0.056 7 2 no 0.302 0 0
1 43 PRO QB 118 no 95.0 26.0 0.001 0.005 0.003 3 1 no 0.175 0 0
1 43 PRO QD 193 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 43 PRO QG 187 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 44 SER QB 12 no 80.0 84.0 0.078 0.093 0.015 11 3 no 0.214 0 0
1 45 LYS QB 108 no 45.0 91.5 0.303 0.331 0.028 3 0 no 0.262 0 0
1 45 LYS QG 107 no 90.0 86.2 0.077 0.090 0.012 3 0 no 0.160 0 0
1 47 GLU QB 106 no 85.0 87.1 0.007 0.008 0.001 3 0 no 0.114 0 0
1 47 GLU QG 105 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 48 ILE QG 186 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 49 SER QB 192 no 95.0 99.9 0.237 0.237 0.000 1 1 no 0.056 0 0
1 50 PHE QB 161 no 100.0 99.9 0.355 0.356 0.000 2 1 no 0.056 0 0
1 50 PHE QE 185 no 60.0 35.9 1.132 3.154 2.022 1 0 yes 3.551 8 8
1 51 GLU QB 151 no 65.0 93.0 0.093 0.100 0.007 2 0 no 0.180 0 0
1 51 GLU QG 55 no 35.0 100.0 0.664 0.664 0.000 5 1 no 0.014 0 0
1 52 ASP QB 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 ARG QB 125 no 15.0 100.0 0.022 0.022 0.000 3 2 no 0.000 0 0
1 53 ARG QD 184 no 5.0 100.0 0.010 0.010 0.000 1 0 no 0.000 0 0
1 53 ARG QG 183 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 54 LYS QB 35 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 54 LYS QD 191 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 54 LYS QE 160 no 40.0 100.0 0.110 0.110 0.000 2 1 no 0.008 0 0
1 54 LYS QG 60 no 25.0 98.9 0.045 0.045 0.001 5 2 no 0.100 0 0
1 55 ASP QB 98 no 100.0 99.9 0.740 0.740 0.001 4 3 no 0.100 0 0
1 56 GLY QA 94 no 100.0 100.0 3.130 3.130 0.000 4 2 no 0.039 0 0
1 57 SER QB 182 no 15.0 99.7 0.001 0.001 0.000 1 0 no 0.006 0 0
1 59 GLY QA 30 no 95.0 98.3 1.252 1.274 0.022 7 3 no 0.171 0 0
1 60 VAL QG 117 no 10.0 86.2 0.000 0.000 0.000 3 1 no 0.007 0 0
1 62 TYR QB 159 no 5.0 100.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 62 TYR QD 181 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 63 VAL QG 59 no 100.0 99.9 8.322 8.327 0.005 5 2 no 0.118 0 0
1 64 VAL QG 2 no 100.0 97.4 2.047 2.101 0.054 20 4 no 0.271 0 0
1 65 GLN QB 81 no 100.0 94.4 1.177 1.248 0.070 4 0 no 0.271 0 0
1 65 GLN QG 149 no 100.0 99.8 1.362 1.365 0.003 2 0 no 0.092 0 0
1 66 GLU QB 39 no 100.0 96.3 2.162 2.246 0.084 6 3 no 0.337 0 0
1 66 GLU QG 93 no 85.0 52.2 0.017 0.032 0.015 4 2 no 0.214 0 0
1 67 PRO QB 190 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 67 PRO QD 158 no 100.0 98.9 2.490 2.519 0.029 2 1 no 0.208 0 0
1 68 GLY QA 87 no 100.0 99.6 0.943 0.947 0.003 4 1 no 0.161 0 0
1 69 ASP QB 80 no 100.0 96.1 1.095 1.139 0.045 4 0 no 0.301 0 0
1 70 TYR QB 50 no 75.0 96.3 0.527 0.546 0.020 5 0 no 0.236 0 0
1 70 TYR QD 79 yes 75.0 69.5 3.129 4.500 1.371 4 0 yes 2.505 5 5
1 70 TYR QE 180 no 25.0 2.3 0.040 1.725 1.685 1 0 yes 2.476 6 12
1 71 GLU QB 54 no 100.0 97.7 1.207 1.236 0.028 5 1 no 0.276 0 0
1 71 GLU QG 44 no 40.0 100.0 0.219 0.219 0.000 6 4 no 0.019 0 0
1 72 VAL QG 20 no 75.0 98.4 0.839 0.853 0.014 8 3 no 0.158 0 0
1 73 SER QB 34 no 70.0 99.0 0.887 0.896 0.009 6 1 no 0.212 0 0
1 74 VAL QG 27 no 100.0 99.8 2.501 2.506 0.005 7 2 no 0.112 0 0
1 75 LYS QB 104 no 85.0 94.7 0.794 0.838 0.044 3 0 no 0.372 0 0
1 75 LYS QE 53 no 85.0 98.0 1.023 1.044 0.021 5 1 no 0.265 0 0
1 75 LYS QG 179 no 10.0 100.0 0.019 0.019 0.000 1 0 no 0.000 0 0
1 76 PHE QB 19 no 100.0 100.0 1.269 1.270 0.000 8 2 no 0.050 0 0
1 76 PHE QD 86 no 60.0 55.3 3.582 6.482 2.900 4 1 yes 2.656 14 20
1 77 ASN QB 58 no 100.0 0.0 0.000 0.001 0.001 5 2 no 0.064 0 0
1 77 ASN QD 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 78 GLU QB 178 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 78 GLU QG 78 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 79 GLU QB 16 no 25.0 79.8 0.036 0.045 0.009 8 0 no 0.138 0 0
1 79 GLU QG 10 no 100.0 98.5 2.384 2.421 0.037 11 2 no 0.215 0 0
1 80 HIS QB 85 no 75.0 99.7 0.951 0.954 0.003 4 1 no 0.164 0 0
1 81 ILE QG 103 no 100.0 100.0 1.926 1.926 0.000 3 0 no 0.030 0 0
1 82 PRO QB 43 no 100.0 100.0 0.371 0.371 0.000 6 4 no 0.000 0 0
1 82 PRO QD 67 no 100.0 99.7 0.258 0.259 0.001 5 5 no 0.063 0 0
1 82 PRO QG 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 ASP QB 116 no 80.0 99.9 1.130 1.132 0.001 3 1 no 0.000 0 0
1 84 SER QB 14 no 100.0 62.7 7.012 11.186 4.175 10 3 yes 2.777 1 1
1 85 PRO QB 18 no 100.0 100.0 0.000 0.000 0.000 8 2 no 0.019 0 0
1 85 PRO QG 124 no 100.0 99.9 2.031 2.033 0.002 3 2 no 0.112 0 0
1 86 PHE QB 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 PHE QD 84 yes 80.0 91.1 4.089 4.487 0.398 4 1 yes 2.434 1 1
1 86 PHE QE 177 yes 90.0 100.0 0.998 0.999 0.000 1 0 no 0.090 0 0
1 87 VAL QG 33 no 100.0 82.4 0.000 0.000 0.000 6 1 no 0.017 0 0
1 88 VAL QG 7 no 100.0 100.0 8.050 8.054 0.004 12 0 no 0.111 0 0
1 89 PRO QB 97 no 75.0 99.5 0.636 0.639 0.003 4 3 no 0.161 0 0
1 89 PRO QD 92 no 100.0 100.0 0.003 0.003 0.000 4 2 no 0.127 0 0
1 90 VAL QG 1 no 100.0 95.1 2.534 2.665 0.131 23 2 no 0.339 0 0
1 92 SER QB 91 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 93 PRO QB 90 no 95.0 100.0 0.017 0.017 0.000 4 2 no 0.000 0 0
1 93 PRO QD 26 no 100.0 99.0 1.094 1.105 0.011 7 2 no 0.093 0 0
1 93 PRO QG 176 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 94 SER QB 115 no 100.0 99.3 1.242 1.250 0.008 3 1 no 0.114 0 0
1 95 GLY QA 157 no 100.0 97.4 1.483 1.523 0.040 2 1 no 0.199 0 0
2 1 TRP QB 23 no 100.0 83.5 1.327 1.589 0.262 7 0 no 0.458 0 0
2 2 LYS QB 175 no 95.0 98.2 0.778 0.792 0.014 1 0 no 0.229 0 0
2 2 LYS QD 145 no 30.0 22.7 0.168 0.739 0.571 2 0 yes 1.595 1 17
2 3 VAL QG 15 no 75.0 98.5 0.204 0.208 0.003 9 0 no 0.141 0 0
2 4 GLY QA 9 no 100.0 96.8 0.130 0.134 0.004 11 0 no 0.117 0 0
2 6 PHE QB 77 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 7 LYS QD 49 no 100.0 99.7 2.086 2.092 0.006 5 0 no 0.127 0 0
2 7 LYS QG 174 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 8 ARG QB 3 yes 80.0 18.4 0.304 1.650 1.346 14 4 yes 1.027 1 38
2 9 ASN QB 38 no 100.0 99.8 0.383 0.384 0.001 6 3 no 0.649 0 2
2 9 ASN QD 8 no 65.0 16.0 0.374 2.342 1.968 12 7 yes 1.808 17 26
2 10 ARG QB 173 no 65.0 98.7 0.092 0.093 0.001 1 0 no 0.114 0 0
2 11 PRO QD 172 no 65.0 99.5 0.476 0.478 0.002 1 0 no 0.162 0 0
2 12 PRO QD 144 no 45.0 96.5 0.018 0.018 0.001 2 0 no 0.066 0 0
2 14 GLU QB 143 no 25.0 80.8 0.002 0.002 0.000 2 0 no 0.071 0 0
2 15 GLU QB 76 no 75.0 98.0 0.076 0.077 0.002 4 0 no 0.165 0 0
2 16 ASP QB 142 no 5.0 37.8 0.001 0.002 0.001 2 0 no 0.121 0 0
2 17 ASP QB 141 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.039 0 0
2 18 GLU QB 140 no 50.0 86.7 0.012 0.014 0.002 2 0 no 0.182 0 0
2 19 GLU QB 139 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.035 0 0
2 20 GLY QA 22 no 25.0 98.2 0.115 0.117 0.002 7 0 no 0.106 0 0
2 21 GLU QB 138 no 15.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
3 1 LYS QB 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
3 1 LYS QG 171 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
3 2 LYS QB 136 no 90.0 31.1 0.022 0.070 0.048 2 0 yes 1.050 1 2
3 2 LYS QG 170 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
3 3 LYS QE 169 no 100.0 99.9 1.327 1.328 0.001 1 0 no 0.072 0 0
3 4 ILE QG 135 no 15.0 99.2 0.032 0.032 0.000 2 0 no 0.036 0 0
3 6 ILE QG 134 no 45.0 100.0 0.228 0.228 0.000 2 0 no 0.002 0 0
3 9 ARG QB 75 no 100.0 100.0 1.130 1.130 0.001 4 0 no 0.056 0 0
3 10 LYS QB 102 no 100.0 99.7 1.273 1.277 0.004 3 0 no 0.133 0 0
3 11 GLU QB 101 no 45.0 86.4 0.078 0.090 0.012 3 0 no 0.150 0 0
3 11 GLU QG 48 no 100.0 98.4 0.759 0.771 0.012 5 0 no 0.153 0 0
3 12 PHE QB 47 no 100.0 99.2 0.289 0.292 0.002 5 0 no 0.074 0 0
3 14 LYS QB 133 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
3 14 LYS QD 100 no 100.0 99.7 1.618 1.623 0.005 3 0 no 0.153 0 0
3 15 PHE QB 46 no 70.0 93.3 0.014 0.015 0.001 5 0 no 0.073 0 0
3 16 GLU QB 99 no 55.0 43.9 0.029 0.066 0.037 3 0 no 0.285 0 0
3 16 GLU QG 74 no 100.0 99.8 3.503 3.512 0.008 4 0 no 0.133 0 0
3 17 GLU QB 132 no 100.0 100.0 0.014 0.014 0.000 2 0 no 0.108 0 0
3 17 GLU QG 73 no 100.0 88.8 4.413 4.967 0.554 4 0 yes 1.026 6 12
3 18 GLU QB 72 no 100.0 98.7 2.362 2.394 0.031 4 0 no 0.222 0 0
3 18 GLU QG 71 no 95.0 99.9 2.779 2.782 0.003 4 0 no 0.227 0 0
3 19 ARG QB 168 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.039 0 0
3 21 ARG QB 131 no 90.0 99.1 0.767 0.774 0.007 2 0 no 0.253 0 0
3 25 ASP QB 70 no 65.0 99.9 0.437 0.437 0.000 4 0 no 0.066 0 0
3 28 ASN QB 42 no 100.0 99.2 0.300 0.303 0.002 6 4 no 0.110 0 0
3 28 ASN QD 31 no 100.0 100.0 1.058 1.059 0.001 7 4 no 0.056 0 0
3 29 ASN QB 32 no 100.0 99.2 0.508 0.512 0.004 7 5 no 0.156 0 0
3 29 ASN QD 66 no 100.0 99.9 1.200 1.201 0.001 5 5 no 0.058 0 0
3 32 TYR QB 69 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
3 33 LYS QB 167 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
3 34 GLU QG 68 no 95.0 99.5 0.105 0.106 0.001 4 0 no 0.099 0 0
3 39 PHE QB 52 no 15.0 94.1 0.037 0.039 0.002 5 1 no 0.133 0 0
3 41 ASN QB 89 no 100.0 99.9 0.364 0.364 0.000 4 2 no 0.040 0 0
3 41 ASN QD 163 no 100.0 99.2 0.047 0.048 0.000 2 2 no 0.040 0 0
3 42 ILE QG 130 no 95.0 75.8 0.000 0.000 0.000 2 0 no 0.001 0 0
3 44 TYR QB 166 no 20.0 100.0 0.105 0.105 0.000 1 0 no 0.000 0 0
3 45 ARG QB 129 no 60.0 99.6 0.037 0.037 0.000 2 0 no 0.033 0 0
3 46 GLY QA 165 no 30.0 100.0 0.416 0.416 0.000 1 0 no 0.000 0 0
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