NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
375098 |
1eq0   |
cing | recoord | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1eq0
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 217
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 0.222
_Stereo_assign_list.Total_e_high_states 201.780
_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 2 VAL QG 16 no 100.0 99.9 0.578 0.578 0.000 19 2 no 0.030 0 0
1 4 TYR QB 93 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.002 0 0
1 5 ILE QG 65 no 10.0 100.0 0.044 0.044 0.000 11 0 no 0.010 0 0
1 7 ILE QG 217 no 5.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 8 GLY QA 64 no 100.0 0.0 0.000 0.000 0.000 11 0 no 0.015 0 0
1 11 LEU QD 151 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 13 SER QB 150 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 15 LEU QB 92 no 15.0 99.5 0.004 0.004 0.000 9 0 no 0.015 0 0
1 15 LEU QD 18 no 100.0 100.0 0.490 0.490 0.000 19 4 no 0.008 0 0
1 16 GLU QB 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 16 GLU QG 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 18 VAL QG 3 no 100.0 100.0 2.032 2.032 0.000 46 11 no 0.009 0 0
1 19 ASN QB 52 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.010 0 0
1 22 LEU QB 45 no 100.0 99.4 0.519 0.523 0.003 13 2 no 0.088 0 0
1 22 LEU QD 66 no 100.0 0.0 0.000 0.000 0.000 11 2 no 0.000 0 0
1 23 LYS QB 63 no 100.0 100.0 0.416 0.416 0.000 11 0 no 0.023 0 0
1 23 LYS QD 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 23 LYS QG 169 no 100.0 100.0 0.891 0.891 0.000 5 0 no 0.010 0 0
1 25 LEU QB 51 no 100.0 100.0 2.532 2.532 0.000 12 0 no 0.016 0 0
1 25 LEU QD 168 no 100.0 100.0 6.806 6.806 0.001 5 0 no 0.036 0 0
1 26 GLY QA 149 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.062 0 0
1 27 ASP QB 148 no 60.0 100.0 0.005 0.005 0.000 6 0 no 0.000 0 0
1 28 ILE QG 147 no 100.0 100.0 3.557 3.559 0.001 6 0 no 0.047 0 0
1 29 PRO QB 126 no 100.0 98.9 0.130 0.131 0.001 7 0 no 0.052 0 0
1 29 PRO QD 25 no 75.0 60.2 0.001 0.002 0.001 17 2 no 0.059 0 0
1 29 PRO QG 201 no 100.0 100.0 2.870 2.870 0.000 3 0 no 0.025 0 0
1 30 GLU QB 146 no 100.0 100.0 0.015 0.015 0.000 6 0 no 0.000 0 0
1 30 GLU QG 78 no 90.0 0.0 0.000 0.001 0.001 10 0 no 0.032 0 0
1 31 SER QB 91 no 100.0 97.3 1.647 1.692 0.045 9 0 no 0.172 0 0
1 32 HIS QB 125 no 100.0 99.0 0.894 0.903 0.009 7 0 no 0.106 0 0
1 33 ILE QG 167 no 100.0 100.0 1.212 1.212 0.000 5 0 no 0.024 0 0
1 34 LEU QB 124 no 100.0 100.0 0.960 0.960 0.000 7 0 no 0.005 0 0
1 34 LEU QD 130 no 100.0 100.0 0.622 0.622 0.000 7 2 no 0.023 0 0
1 36 VAL QG 62 no 100.0 100.0 0.052 0.052 0.000 11 0 no 0.000 0 0
1 37 SER QB 42 no 100.0 100.0 1.767 1.767 0.000 13 0 no 0.022 0 0
1 38 SER QB 184 no 100.0 100.0 2.405 2.405 0.000 4 0 no 0.026 0 0
1 39 PHE QB 27 no 100.0 100.0 1.865 1.865 0.000 17 6 no 0.014 0 0
1 40 TYR QB 23 no 100.0 100.0 1.388 1.388 0.000 18 7 no 0.012 0 0
1 41 ARG QB 56 no 100.0 99.7 0.418 0.419 0.001 12 4 no 0.037 0 0
1 41 ARG QD 123 no 75.0 100.0 0.266 0.266 0.000 7 0 no 0.000 0 0
1 41 ARG QG 109 no 100.0 100.0 0.649 0.649 0.000 8 0 no 0.000 0 0
1 44 PRO QB 90 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.018 0 0
1 44 PRO QD 145 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.061 0 0
1 44 PRO QG 122 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 45 LEU QB 200 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 45 LEU QD 183 no 35.0 100.0 0.658 0.658 0.000 4 0 no 0.002 0 0
1 46 GLY QA 94 no 50.0 99.2 0.187 0.188 0.001 9 1 no 0.078 0 0
1 47 PRO QB 153 no 100.0 99.0 0.947 0.956 0.010 6 4 no 0.144 0 0
1 47 PRO QD 127 no 100.0 100.0 0.000 0.000 0.000 7 1 no 0.032 0 0
1 47 PRO QG 96 no 75.0 97.5 0.274 0.281 0.007 9 4 no 0.139 0 0
1 48 GLN QB 32 no 100.0 99.4 2.641 2.658 0.017 16 10 no 0.144 0 0
1 48 GLN QE 216 no 5.0 82.0 0.006 0.008 0.001 1 0 no 0.076 0 0
1 49 ASP QB 166 no 45.0 97.2 0.029 0.030 0.001 5 0 no 0.101 0 0
1 50 GLN QB 182 no 55.0 99.9 0.215 0.215 0.000 4 0 no 0.035 0 0
1 50 GLN QG 181 no 65.0 100.0 0.163 0.163 0.000 4 0 no 0.007 0 0
1 51 PRO QB 144 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 51 PRO QD 165 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.019 0 0
1 51 PRO QG 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 ASP QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 TYR QB 199 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.015 0 0
1 54 LEU QB 89 no 100.0 100.0 2.229 2.229 0.000 9 0 no 0.053 0 0
1 54 LEU QD 11 no 35.0 100.0 0.049 0.049 0.000 24 12 no 0.006 0 0
1 55 ASN QB 188 no 95.0 100.0 0.760 0.760 0.000 4 1 no 0.000 0 0
1 58 VAL QG 41 no 100.0 100.0 2.725 2.725 0.000 13 0 no 0.000 0 0
1 60 LEU QB 164 no 100.0 100.0 0.455 0.455 0.000 5 0 no 0.000 0 0
1 60 LEU QD 31 no 100.0 100.0 10.512 10.512 0.000 16 4 no 0.004 0 0
1 61 GLU QB 88 no 90.0 99.9 1.088 1.089 0.001 9 0 no 0.044 0 0
1 61 GLU QG 87 no 90.0 99.8 0.202 0.202 0.001 9 0 no 0.046 0 0
1 63 SER QB 121 no 90.0 100.0 1.512 1.512 0.000 7 0 no 0.011 0 0
1 64 LEU QB 36 no 100.0 99.9 0.370 0.371 0.000 14 4 no 0.036 0 0
1 64 LEU QD 37 no 100.0 100.0 5.030 5.030 0.000 14 5 no 0.008 0 0
1 66 PRO QB 4 no 100.0 100.0 3.883 3.883 0.000 45 14 no 0.034 0 0
1 66 PRO QD 19 no 80.0 24.4 0.001 0.003 0.003 18 0 no 0.064 0 0
1 66 PRO QG 35 no 100.0 100.0 1.140 1.140 0.000 14 0 no 0.037 0 0
1 67 GLU QB 50 no 100.0 99.9 1.879 1.881 0.001 12 0 no 0.049 0 0
1 67 GLU QG 120 no 100.0 99.7 2.100 2.107 0.007 7 0 no 0.088 0 0
1 68 GLU QB 77 no 100.0 99.9 3.213 3.217 0.004 10 0 no 0.073 0 0
1 68 GLU QG 76 no 50.0 100.0 0.196 0.196 0.000 10 0 no 0.005 0 0
1 69 LEU QB 15 no 30.0 98.0 0.021 0.021 0.000 20 8 no 0.036 0 0
1 69 LEU QD 9 no 85.0 100.0 1.944 1.945 0.000 24 3 no 0.033 0 0
1 70 LEU QB 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 LEU QD 191 no 100.0 100.0 7.088 7.088 0.000 4 2 no 0.005 0 0
1 71 ASN QB 113 no 100.0 100.0 0.695 0.695 0.000 8 2 no 0.000 0 0
1 71 ASN QD 152 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 72 HIS QB 61 no 100.0 100.0 1.411 1.411 0.000 11 0 no 0.014 0 0
1 74 GLN QB 119 no 100.0 100.0 0.544 0.544 0.000 7 0 no 0.000 0 0
1 74 GLN QG 108 no 100.0 100.0 4.616 4.617 0.001 8 0 no 0.041 0 0
1 75 ARG QB 107 no 100.0 99.9 0.275 0.275 0.000 8 0 no 0.027 0 0
1 75 ARG QD 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 ARG QG 143 no 50.0 100.0 0.048 0.048 0.000 6 0 no 0.000 0 0
1 76 ILE QG 75 no 100.0 99.9 1.363 1.364 0.001 10 0 no 0.055 0 0
1 77 GLU QB 106 no 100.0 100.0 6.255 6.256 0.001 8 0 no 0.066 0 0
1 77 GLU QG 105 no 95.0 100.0 5.141 5.141 0.000 8 0 no 0.057 0 0
1 78 LEU QB 118 no 100.0 100.0 3.562 3.562 0.000 7 0 no 0.001 0 0
1 78 LEU QD 198 no 5.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 79 GLN QB 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 79 GLN QG 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 GLN QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 GLN QG 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 81 GLY QA 197 no 100.0 100.0 1.482 1.483 0.000 3 0 no 0.031 0 0
1 83 VAL QG 163 no 60.0 100.0 0.092 0.092 0.000 5 0 no 0.000 0 0
1 84 ARG QB 142 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 84 ARG QD 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 84 ARG QG 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 LYS QB 104 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.078 0 0
1 85 LYS QG 176 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 87 GLU QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 GLU QG 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 89 TRP QB 117 no 95.0 100.0 0.564 0.564 0.000 7 0 no 0.005 0 0
1 90 GLY QA 86 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.006 0 0
1 91 PRO QB 196 no 5.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 91 PRO QG 206 no 100.0 100.0 3.352 3.352 0.000 2 0 no 0.026 0 0
1 92 ARG QB 141 no 85.0 100.0 0.150 0.150 0.000 6 0 no 0.014 0 0
1 92 ARG QD 215 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 94 LEU QB 173 no 100.0 99.9 0.652 0.653 0.000 4 0 no 0.040 0 0
1 94 LEU QD 110 no 85.0 100.0 0.382 0.382 0.000 8 1 no 0.001 0 0
1 95 ASP QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 LEU QB 116 no 90.0 100.0 0.185 0.185 0.000 7 0 no 0.019 0 0
1 96 LEU QD 74 no 75.0 100.0 0.205 0.205 0.000 10 0 no 0.008 0 0
1 97 ASP QB 55 no 0.0 0.0 0.000 0.000 0.000 12 4 no 0.013 0 0
1 98 ILE QG 162 no 100.0 100.0 0.894 0.894 0.000 5 0 no 0.014 0 0
1 99 MET QB 85 no 100.0 3.1 0.000 0.000 0.000 9 0 no 0.046 0 0
1 99 MET QG 140 no 100.0 100.0 0.679 0.679 0.000 6 0 no 0.029 0 0
1 100 LEU QB 60 no 100.0 100.0 1.349 1.349 0.000 11 0 no 0.008 0 0
1 100 LEU QD 39 no 100.0 100.0 10.706 10.706 0.000 14 8 no 0.040 0 0
1 101 PHE QB 30 no 90.0 100.0 0.246 0.246 0.000 16 4 no 0.011 0 0
1 102 GLY QA 84 no 100.0 98.3 0.326 0.331 0.006 9 0 no 0.082 0 0
1 103 ASN QB 139 no 5.0 38.2 0.002 0.005 0.003 6 0 no 0.128 0 0
1 104 GLU QB 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.063 0 0
1 104 GLU QG 83 no 40.0 99.7 0.479 0.481 0.001 9 0 no 0.117 0 0
1 105 VAL QG 34 no 100.0 100.0 0.424 0.424 0.000 15 5 no 0.021 0 0
1 106 ILE QG 204 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.053 0 0
1 107 ASN QB 112 no 100.0 100.0 0.368 0.368 0.000 8 2 no 0.003 0 0
1 107 ASN QD 53 no 10.0 99.9 0.114 0.114 0.000 12 3 no 0.038 0 0
1 109 GLU QB 161 no 100.0 99.9 0.706 0.707 0.001 5 0 no 0.044 0 0
1 109 GLU QG 195 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 110 ARG QB 137 no 100.0 100.0 2.138 2.139 0.001 6 0 no 0.058 0 0
1 110 ARG QD 111 no 0.0 0.0 0.000 0.000 0.000 8 2 no 0.005 0 0
1 110 ARG QG 194 no 70.0 100.0 0.050 0.050 0.000 3 0 no 0.003 0 0
1 111 LEU QB 22 no 100.0 100.0 0.666 0.666 0.000 18 4 no 0.027 0 0
1 111 LEU QD 29 no 50.0 100.0 0.130 0.130 0.000 16 4 no 0.005 0 0
1 113 VAL QG 24 no 25.0 99.8 0.004 0.004 0.000 17 2 no 0.010 0 0
1 114 PRO QB 190 no 30.0 99.6 0.097 0.097 0.000 4 2 no 0.045 0 0
1 114 PRO QD 68 no 100.0 99.8 0.463 0.464 0.001 11 6 no 0.044 0 0
1 114 PRO QG 129 no 100.0 98.9 1.604 1.621 0.017 7 2 no 0.135 0 0
1 115 HIS QB 54 no 75.0 98.3 0.141 0.143 0.002 12 4 no 0.099 0 0
1 116 TYR QB 160 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.017 0 0
1 118 MET QB 103 no 65.0 96.0 0.050 0.052 0.002 8 0 no 0.112 0 0
1 118 MET QG 73 no 100.0 99.9 1.337 1.338 0.001 10 0 no 0.050 0 0
1 119 LYS QB 82 no 100.0 4.0 0.000 0.001 0.001 9 0 no 0.049 0 0
1 119 LYS QD 136 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.022 0 0
1 119 LYS QE 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 LYS QG 72 no 5.0 100.0 0.051 0.051 0.000 10 0 no 0.001 0 0
1 120 ASN QB 128 no 25.0 100.0 0.038 0.038 0.000 7 2 no 0.009 0 0
1 120 ASN QD 189 no 65.0 100.0 0.040 0.040 0.000 4 2 no 0.000 0 0
1 121 ARG QB 102 no 95.0 100.0 2.568 2.568 0.000 8 0 no 0.007 0 0
1 121 ARG QD 214 no 30.0 100.0 0.029 0.029 0.000 1 0 no 0.001 0 0
1 121 ARG QG 159 no 50.0 100.0 0.043 0.043 0.000 5 0 no 0.003 0 0
1 122 GLY QA 7 no 95.0 100.0 0.086 0.086 0.000 26 10 no 0.011 0 0
1 123 PHE QB 131 no 45.0 100.0 0.092 0.092 0.000 7 4 no 0.016 0 0
1 124 MET QB 101 no 100.0 100.0 0.846 0.846 0.000 8 0 no 0.013 0 0
1 125 LEU QB 12 no 100.0 100.0 3.995 3.995 0.000 22 8 no 0.019 0 0
1 125 LEU QD 6 no 100.0 100.0 1.594 1.594 0.000 26 5 no 0.000 0 0
1 126 TRP QB 38 no 100.0 100.0 0.686 0.686 0.000 14 8 no 0.004 0 0
1 127 PRO QB 49 no 100.0 100.0 0.386 0.386 0.000 12 0 no 0.009 0 0
1 127 PRO QD 44 no 100.0 2.9 0.000 0.003 0.003 13 2 no 0.064 0 0
1 127 PRO QG 43 no 100.0 100.0 1.840 1.840 0.000 13 2 no 0.010 0 0
1 128 LEU QB 100 no 100.0 100.0 0.951 0.951 0.000 8 0 no 0.006 0 0
1 128 LEU QD 158 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 129 PHE QB 67 no 100.0 100.0 0.000 0.000 0.000 11 4 no 0.003 0 0
1 130 GLU QB 157 no 100.0 100.0 2.654 2.655 0.000 5 0 no 0.050 0 0
1 130 GLU QG 81 no 0.0 0.0 0.000 0.003 0.003 9 0 no 0.054 0 0
1 131 ILE QG 193 no 100.0 100.0 1.600 1.600 0.000 3 0 no 0.009 0 0
1 133 PRO QB 135 no 100.0 100.0 0.933 0.933 0.000 6 0 no 0.015 0 0
1 133 PRO QD 156 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 133 PRO QG 155 no 20.0 15.5 0.000 0.003 0.002 5 0 no 0.056 0 0
1 134 GLU QB 134 no 100.0 100.0 1.202 1.202 0.000 6 0 no 0.036 0 0
1 134 GLU QG 172 no 100.0 100.0 2.169 2.169 0.000 4 0 no 0.018 0 0
1 135 LEU QB 59 no 75.0 95.7 0.014 0.014 0.001 11 0 no 0.038 0 0
1 135 LEU QD 48 no 90.0 100.0 0.043 0.043 0.000 12 0 no 0.000 0 0
1 136 VAL QG 26 no 100.0 100.0 10.418 10.418 0.000 17 6 no 0.000 0 0
1 137 PHE QB 170 no 100.0 100.0 0.339 0.339 0.000 5 2 no 0.000 0 0
1 138 PRO QB 99 no 40.0 100.0 0.021 0.021 0.000 8 0 no 0.000 0 0
1 138 PRO QD 115 no 100.0 100.0 0.000 0.000 0.000 7 0 no 0.029 0 0
1 138 PRO QG 80 no 45.0 94.0 0.001 0.001 0.000 9 0 no 0.014 0 0
1 139 ASP QB 114 no 90.0 100.0 0.094 0.094 0.000 7 0 no 0.000 0 0
1 140 GLY QA 95 no 95.0 89.3 0.003 0.003 0.000 9 2 no 0.080 0 0
1 141 GLU QB 71 no 100.0 100.0 0.745 0.745 0.000 10 0 no 0.022 0 0
1 141 GLU QG 70 no 100.0 100.0 0.128 0.128 0.000 10 0 no 0.015 0 0
1 142 MET QB 21 no 100.0 100.0 1.910 1.911 0.000 18 4 no 0.035 0 0
1 142 MET QG 20 no 100.0 100.0 0.000 0.000 0.000 18 4 no 0.006 0 0
1 143 LEU QB 69 no 20.0 96.4 0.002 0.002 0.000 10 0 no 0.020 0 0
1 143 LEU QD 28 no 95.0 100.0 0.130 0.130 0.000 16 1 no 0.000 0 0
1 144 ARG QB 14 no 100.0 94.9 0.326 0.344 0.018 20 4 no 0.109 0 0
1 144 ARG QD 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 144 ARG QG 154 no 85.0 100.0 1.330 1.330 0.000 5 0 no 0.004 0 0
1 145 GLN QB 58 no 100.0 99.7 0.309 0.310 0.001 11 0 no 0.033 0 0
1 145 GLN QG 171 no 80.0 100.0 0.119 0.119 0.000 4 0 no 0.000 0 0
1 146 ILE QG 57 no 100.0 100.0 1.633 1.633 0.000 11 0 no 0.021 0 0
1 147 LEU QB 13 no 100.0 100.0 0.226 0.226 0.000 20 4 no 0.006 0 0
1 147 LEU QD 1 no 100.0 100.0 2.064 2.064 0.000 49 16 no 0.000 0 0
1 148 HIS QB 79 no 100.0 100.0 0.396 0.396 0.000 9 0 no 0.002 0 0
1 150 ARG QB 40 no 100.0 0.0 0.000 0.000 0.000 13 0 no 0.000 0 0
1 150 ARG QD 47 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.002 0 0
1 150 ARG QG 98 no 100.0 100.0 2.336 2.336 0.000 8 0 no 0.003 0 0
1 152 PHE QB 10 no 100.0 100.0 2.563 2.564 0.001 24 8 no 0.044 0 0
1 153 ASP QB 33 no 100.0 99.6 0.734 0.737 0.003 15 2 no 0.057 0 0
1 154 LYS QB 132 no 100.0 100.0 2.523 2.523 0.000 6 0 no 0.015 0 0
1 154 LYS QD 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 154 LYS QE 213 no 40.0 100.0 0.090 0.090 0.000 1 0 no 0.000 0 0
1 154 LYS QG 17 no 100.0 100.0 0.284 0.284 0.000 19 4 no 0.006 0 0
1 155 LEU QB 5 no 15.0 99.9 0.025 0.025 0.000 28 8 no 0.017 0 0
1 155 LEU QD 2 no 100.0 100.0 3.975 3.975 0.000 48 26 no 0.012 0 0
1 156 ASN QB 46 no 100.0 93.5 0.142 0.152 0.010 13 4 no 0.125 0 0
1 157 LYS QB 97 no 100.0 99.6 1.716 1.723 0.008 8 0 no 0.093 0 0
1 157 LYS QG 192 no 100.0 100.0 2.631 2.631 0.000 3 0 no 0.012 0 0
1 158 TRP QB 8 no 100.0 100.0 1.984 1.984 0.000 25 8 no 0.014 0 0
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