NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651222 |
6nz2   |
30570 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6nz2
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 223
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 3
_Stereo_assign_list.Deassign_percentage 1.3
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 2.194
_Stereo_assign_list.Total_e_high_states 272.695
_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 5 ARG QB 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 6 ASP QB 185 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.108 0 0
1 7 SER QB 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.036 0 0
1 9 GLU QB 140 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.148 0 0
1 10 CYS QB 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 11 GLN QB 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 11 GLN QG 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.065 0 0
1 12 ARG QB 30 no 100.0 100.0 1.166 1.167 0.000 15 2 no 0.036 0 0
1 12 ARG QD 187 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.067 0 0
1 12 ARG QG 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.010 0 0
1 13 ILE QG 57 no 100.0 99.9 1.172 1.174 0.001 12 0 no 0.060 0 0
1 14 ILE QG 35 no 100.0 100.0 4.097 4.099 0.002 14 0 no 0.054 0 0
1 15 ARG QB 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 15 ARG QD 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.045 0 0
1 15 ARG QG 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.061 0 0
1 16 ARG QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 ARG QD 181 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.065 0 0
1 17 GLY QA 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.019 0 0
1 18 VAL QG 74 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.035 0 0
1 19 ASN QB 21 no 100.0 100.0 0.722 0.722 0.000 16 0 no 0.000 0 0
1 19 ASN QD 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 CYS QB 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 21 LEU QB 110 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.013 0 0
1 21 LEU QD 25 no 100.0 0.0 0.000 0.002 0.002 16 4 no 0.075 0 0
1 22 MET QB 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 LEU QB 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 LEU QD 26 no 0.0 0.0 0.000 0.000 0.000 16 6 no 0.015 0 0
1 24 PRO QD 17 no 100.0 99.9 2.232 2.233 0.001 18 6 no 0.061 0 0
1 24 PRO QG 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 LYS QG 56 no 100.0 100.0 1.410 1.410 0.001 12 0 no 0.047 0 0
1 27 MET QB 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 MET QG 13 no 100.0 100.0 1.639 1.640 0.000 20 8 no 0.041 0 0
1 28 GLN QG 94 no 100.0 100.0 2.515 2.515 0.000 9 2 no 0.031 0 0
1 30 SER QB 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 SER QB 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.026 0 0
1 32 GLN QB 143 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 32 GLN QE 12 no 100.0 100.0 0.809 0.809 0.000 20 8 no 0.026 0 0
1 32 GLN QG 137 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.031 0 0
1 33 ASN QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 ASN QD 73 no 100.0 100.0 1.016 1.016 0.000 10 0 no 0.036 0 0
1 34 ARG QD 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.070 0 0
1 34 ARG QG 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.049 0 0
1 35 SER QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 LYS QB 136 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.087 0 0
1 36 LYS QG 176 no 0.0 0.0 0.000 0.002 0.002 4 0 no 0.120 0 0
1 37 TRP QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 ASP QB 66 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.067 0 0
1 39 LYS QG 43 no 100.0 99.9 1.976 1.978 0.001 13 0 no 0.112 0 0
1 41 MET QG 14 no 100.0 99.9 2.114 2.117 0.003 19 4 no 0.049 0 0
1 42 ASP QB 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.032 0 0
1 43 LEU QB 52 no 100.0 100.0 1.912 1.912 0.000 13 6 no 0.000 0 0
1 43 LEU QD 4 no 100.0 99.9 9.366 9.374 0.008 35 10 no 0.175 0 0
1 45 VAL QG 10 no 0.0 0.0 0.000 0.001 0.001 20 4 no 0.043 0 0
1 46 TRP QB 174 no 10.0 100.0 0.075 0.075 0.000 4 0 no 0.000 0 0
1 47 SER QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 48 VAL QG 22 no 100.0 0.0 0.000 0.001 0.001 16 2 no 0.065 0 0
1 49 GLU QG 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 50 TRP QB 51 no 100.0 100.0 0.307 0.307 0.000 13 4 no 0.000 0 0
1 51 ILE QG 55 no 100.0 100.0 2.075 2.075 0.000 12 0 no 0.028 0 0
1 52 LEU QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 52 LEU QD 72 no 100.0 0.0 0.000 1.696 1.696 10 0 yes 1.373 20 20
1 53 CYS QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 PRO QB 82 no 100.0 100.0 3.843 3.844 0.001 10 3 no 0.060 0 0
1 54 PRO QD 69 no 100.0 99.4 1.794 1.805 0.011 11 2 no 0.352 0 0
1 55 MET QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.029 0 0
1 55 MET QG 170 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.079 0 0
1 56 GLN QB 88 no 100.0 99.9 1.850 1.852 0.002 10 5 no 0.074 0 0
1 56 GLN QE 6 no 100.0 99.7 4.515 4.529 0.013 30 15 no 0.265 0 0
1 56 GLN QG 62 no 100.0 99.1 0.751 0.758 0.006 12 4 no 0.081 0 0
1 57 GLU QB 68 no 100.0 99.7 0.505 0.506 0.001 11 0 no 0.064 0 0
1 58 LYS QG 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 61 LYS QB 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.052 0 0
1 61 LYS QG 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 LYS QB 18 no 100.0 99.9 3.155 3.157 0.003 18 7 no 0.080 0 0
1 62 LYS QD 108 no 100.0 100.0 0.981 0.981 0.000 8 3 no 0.018 0 0
1 62 LYS QG 76 no 100.0 100.0 4.656 4.657 0.001 10 1 no 0.044 0 0
1 63 GLU QB 207 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.060 0 0
1 63 GLU QG 133 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.075 0 0
1 64 LEU QB 40 no 100.0 99.9 1.395 1.396 0.001 14 4 no 0.061 0 0
1 64 LEU QD 61 no 0.0 0.0 0.000 0.000 0.000 12 4 no 0.020 0 0
1 65 PHE QB 132 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 66 LYS QG 92 no 100.0 100.0 0.446 0.447 0.000 9 0 no 0.020 0 0
1 67 HIS QB 131 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 68 VAL QG 24 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.034 0 0
1 69 SER QB 102 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.017 0 0
1 70 HIS QB 130 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 71 ARG QB 168 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.136 0 0
1 72 ILE QG 39 no 100.0 100.0 0.334 0.334 0.000 14 4 no 0.008 0 0
1 74 GLU QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.017 0 0
1 74 GLU QG 81 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 76 ASP QB 129 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.070 0 0
1 77 PHE QB 47 no 100.0 100.0 0.588 0.588 0.000 13 2 no 0.011 0 0
1 78 LEU QB 87 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 78 LEU QD 60 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.055 0 0
1 79 VAL QG 80 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.047 0 0
1 80 GLN QB 106 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.020 0 0
1 80 GLN QE 63 no 100.0 99.6 1.735 1.741 0.006 12 5 no 0.207 0 0
1 80 GLN QG 23 no 100.0 99.8 1.308 1.311 0.002 16 3 no 0.083 0 0
1 81 GLY QA 86 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.021 0 0
1 82 MET QB 54 no 100.0 100.0 2.476 2.477 0.001 12 0 no 0.049 0 0
1 82 MET QG 28 no 100.0 99.4 3.762 3.784 0.022 15 0 no 0.252 0 0
1 84 LYS QG 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 85 ASN QD 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 VAL QG 9 no 100.0 0.0 0.000 0.001 0.001 20 4 no 0.046 0 0
1 88 GLN QB 79 no 100.0 100.0 2.497 2.498 0.000 10 2 no 0.031 0 0
1 88 GLN QE 150 no 100.0 100.0 1.016 1.016 0.000 5 2 no 0.040 0 0
1 88 GLN QG 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
1 89 LYS QB 46 no 100.0 99.9 3.848 3.853 0.005 13 2 no 0.081 0 0
1 89 LYS QD 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 LYS QE 111 no 0.0 0.0 0.000 0.003 0.003 8 6 no 0.081 0 0
1 89 LYS QG 50 no 100.0 100.0 0.929 0.929 0.000 13 4 no 0.000 0 0
1 90 CYS QB 101 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.032 0 0
1 91 CYS QB 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.021 0 0
1 92 GLU QB 149 no 100.0 99.9 1.938 1.940 0.002 5 0 no 0.102 0 0
1 92 GLU QG 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
1 93 PHE QB 125 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.020 0 0
1 94 TYR QB 85 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.017 0 0
1 95 ARG QB 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 ARG QD 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 ARG QG 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 LEU QB 31 no 100.0 100.0 1.921 1.921 0.000 15 4 no 0.033 0 0
1 96 LEU QD 8 no 100.0 0.0 0.000 0.004 0.004 24 12 no 0.092 0 0
1 98 GLY QA 53 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.035 0 0
1 100 SER QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 103 ILE QG 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.041 0 0
1 104 GLU QB 91 no 100.0 99.8 0.919 0.920 0.001 9 0 no 0.077 0 0
1 105 GLY QA 164 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.061 0 0
1 109 SER QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.044 0 0
1 110 GLU QB 123 no 100.0 100.0 1.739 1.740 0.001 6 0 no 0.046 0 0
1 112 LYS QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 113 GLU QB 114 no 100.0 99.8 1.729 1.732 0.003 7 0 no 0.079 0 0
1 113 GLU QG 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.026 0 0
1 114 GLU QB 90 no 100.0 100.0 0.357 0.357 0.000 9 0 no 0.000 0 0
1 114 GLU QG 100 no 100.0 99.9 0.513 0.514 0.001 8 0 no 0.065 0 0
1 115 ARG QB 99 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.044 0 0
1 115 ARG QD 98 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.038 0 0
1 115 ARG QG 162 no 0.0 0.0 0.000 0.001 0.001 4 0 no 0.065 0 0
1 117 GLN QB 113 no 100.0 100.0 1.543 1.543 0.000 7 0 no 0.015 0 0
1 117 GLN QE 115 no 100.0 99.9 1.029 1.030 0.001 7 3 no 0.045 0 0
1 117 GLN QG 49 no 100.0 99.9 2.269 2.270 0.001 13 4 no 0.063 0 0
1 118 ILE QG 71 no 100.0 100.0 3.198 3.199 0.001 10 0 no 0.043 0 0
1 119 LEU QB 48 no 100.0 99.9 1.629 1.631 0.002 13 4 no 0.061 0 0
1 119 LEU QD 16 no 100.0 0.0 0.000 0.001 0.001 18 6 no 0.051 0 0
1 120 GLN QB 107 no 100.0 99.8 1.292 1.294 0.002 8 3 no 0.068 0 0
1 120 GLN QE 41 no 100.0 99.8 1.318 1.321 0.003 14 6 no 0.068 0 0
1 120 GLN QG 29 no 100.0 100.0 1.615 1.615 0.000 15 2 no 0.030 0 0
1 121 LYS QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 121 LYS QG 97 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.030 0 0
1 122 SER QB 65 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 124 LEU QB 11 no 100.0 100.0 1.727 1.727 0.000 20 6 no 0.012 0 0
1 124 LEU QD 2 no 100.0 100.0 28.242 28.245 0.003 48 14 no 0.074 0 0
1 125 LYS QB 122 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.039 0 0
1 125 LYS QE 148 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 125 LYS QG 147 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.009 0 0
1 126 PHE QB 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.026 0 0
1 127 TYR QB 146 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 129 LYS QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 129 LYS QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.057 0 0
1 131 PHE QB 120 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 132 PRO QB 160 no 100.0 99.9 0.332 0.332 0.000 4 0 no 0.051 0 0
1 132 PRO QD 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 133 TYR QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.041 0 0
1 134 ASN QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 137 HIS QB 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.035 0 0
1 138 ILE QG 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.035 0 0
1 139 MET QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.029 0 0
1 139 MET QG 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 140 ASP QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 141 SER QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 142 LYS QB 45 no 100.0 100.0 3.648 3.648 0.000 13 2 no 0.010 0 0
1 142 LYS QG 34 no 100.0 100.0 1.806 1.806 0.000 14 0 no 0.038 0 0
1 143 LYS QB 44 no 100.0 100.0 0.779 0.779 0.000 13 2 no 0.012 0 0
1 143 LYS QD 145 no 0.0 0.0 0.000 0.000 0.000 6 4 no 0.022 0 0
1 143 LYS QE 186 no 0.0 0.0 0.000 0.002 0.002 4 2 no 0.094 0 0
1 143 LYS QG 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 144 LEU QB 195 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.068 0 0
1 144 LEU QD 15 no 0.0 0.0 0.000 0.001 0.001 18 4 no 0.039 0 0
1 145 VAL QG 20 no 100.0 100.0 16.421 16.423 0.002 17 2 no 0.050 0 0
1 147 LEU QB 38 no 100.0 100.0 1.235 1.235 0.000 14 4 no 0.000 0 0
1 147 LEU QD 59 no 100.0 0.0 0.000 0.002 0.002 12 4 no 0.100 0 0
1 149 ILE QG 70 no 100.0 100.0 1.098 1.098 0.000 10 0 no 0.045 0 0
1 151 GLU QB 93 no 100.0 100.0 1.996 1.996 0.001 9 2 no 0.048 0 0
1 152 LYS QB 37 no 100.0 94.9 1.838 1.938 0.099 14 2 yes 1.058 1 2
1 152 LYS QG 67 no 100.0 95.2 3.922 4.120 0.198 11 0 yes 1.371 2 4
1 153 CYS QB 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.014 0 0
1 154 ILE QG 109 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 155 GLY QA 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 156 GLU QG 152 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.067 0 0
1 157 LEU QB 42 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.016 0 0
1 157 LEU QD 58 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.014 0 0
1 158 LEU QB 144 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 158 LEU QD 7 no 100.0 0.0 0.000 0.000 0.000 26 16 no 0.024 0 0
1 159 LYS QB 105 no 100.0 100.0 1.382 1.382 0.000 8 2 no 0.025 0 0
1 159 LYS QG 19 no 100.0 99.3 2.321 2.336 0.016 17 2 no 0.159 0 0
1 160 ASN QD 84 no 0.0 0.0 0.000 0.001 0.001 10 4 no 0.040 0 0
1 163 VAL QG 96 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 167 PRO QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 167 PRO QG 33 no 100.0 100.0 0.734 0.734 0.000 15 6 no 0.018 0 0
1 169 ILE QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 170 PHE QB 104 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 171 VAL QG 3 no 100.0 100.0 35.657 35.657 0.000 38 5 no 0.022 0 0
1 173 MET QB 75 no 100.0 100.0 0.505 0.505 0.000 10 1 no 0.040 0 0
1 173 MET QG 78 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.037 0 0
1 175 GLU QG 103 no 100.0 0.0 0.000 0.002 0.002 8 2 no 0.073 0 0
1 177 ASP QB 95 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.011 0 0
1 178 LEU QB 27 no 100.0 100.0 2.214 2.215 0.001 16 9 no 0.047 0 0
1 178 LEU QD 1 no 100.0 100.0 40.472 40.473 0.001 50 15 no 0.037 0 0
1 179 PRO QB 89 no 100.0 100.0 3.145 3.146 0.000 9 0 no 0.021 0 0
1 179 PRO QD 64 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.028 0 0
1 179 PRO QG 142 no 100.0 100.0 2.809 2.810 0.001 6 1 no 0.048 0 0
1 180 GLU QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 180 GLU QG 117 no 100.0 99.3 0.521 0.525 0.004 6 0 no 0.087 0 0
1 181 GLY QA 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.026 0 0
1 182 TYR QB 32 no 100.0 99.9 1.815 1.816 0.001 15 5 no 0.059 0 0
1 183 GLU QB 112 no 100.0 100.0 2.042 2.042 0.000 7 0 no 0.021 0 0
1 183 GLU QG 77 no 100.0 0.0 0.000 0.001 0.001 10 2 no 0.055 0 0
1 184 VAL QG 36 no 100.0 0.0 0.000 0.004 0.004 14 2 no 0.218 0 0
1 185 LEU QB 83 no 100.0 100.0 1.407 1.407 0.000 10 4 no 0.031 0 0
1 185 LEU QD 5 no 100.0 100.0 12.434 12.435 0.001 30 14 no 0.044 0 0
1 186 HIS QB 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.035 0 0
1 187 GLN QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 187 GLN QE 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 188 GLU QB 188 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.068 0 0
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