NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484833 |
2js3   |
15352 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2js3
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 184
_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 0.512
_Stereo_assign_list.Total_e_high_states 15.828
_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 15 GLU QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.082 0 0
1 15 GLU QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 ASN QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 LEU QB 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.030 0 0
1 17 LEU QD 52 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 18 TYR QB 111 no 95.0 0.0 0.000 0.012 0.012 4 0 no 0.230 0 0
1 19 PHE QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 GLN QB 176 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.227 0 0
1 20 GLN QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 MET QB 51 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.075 0 0
1 22 MET QG 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.019 0 0
1 24 ASP QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 28 GLU QB 109 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.075 0 0
1 28 GLU QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 VAL QG 50 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 31 ARG QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 LYS QB 49 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.140 0 0
1 32 LYS QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 ILE QG 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 37 LEU QB 170 no 100.0 0.0 0.000 0.006 0.006 2 0 no 0.102 0 0
1 37 LEU QD 28 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 38 LEU QB 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.071 0 0
1 38 LEU QD 4 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.012 0 0
1 39 LYS QB 106 no 100.0 0.0 0.000 0.009 0.009 4 0 no 0.159 0 0
1 39 LYS QD 105 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.125 0 0
1 39 LYS QG 48 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.073 0 0
1 42 ILE QG 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 GLU QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.056 0 0
1 43 GLU QG 40 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.080 0 0
1 44 ILE QG 104 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.107 0 0
1 45 VAL QG 10 no 100.0 0.0 0.000 0.000 0.000 14 12 no 0.080 0 0
1 46 SER QB 27 no 100.0 0.0 0.000 0.011 0.011 8 0 no 0.236 0 0
1 47 GLU QB 26 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.066 0 0
1 47 GLU QG 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 48 GLU QB 167 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.094 0 0
1 48 GLU QG 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 49 ASP QB 101 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.135 0 0
1 51 GLY QA 100 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.108 0 0
1 53 HIS QB 56 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.091 0 0
1 54 ASN QB 184 no 100.0 0.0 0.000 0.001 0.001 2 2 no 0.119 0 0
1 55 GLN QB 99 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.013 0 0
1 55 GLN QE 122 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 55 GLN QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 56 CYS QB 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 57 LYS QB 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.044 0 0
1 57 LYS QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 LEU QB 96 no 0.0 0.0 0.000 0.156 0.156 4 0 no 0.694 0 5
1 58 LEU QD 2 no 100.0 99.5 3.977 3.996 0.019 18 0 no 0.471 0 0
1 59 CYS QB 164 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.127 0 0
1 62 SER QB 47 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.026 0 0
1 63 VAL QG 6 no 100.0 99.9 3.061 3.062 0.002 15 4 no 0.119 0 0
1 64 PRO QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.039 0 0
1 65 TRP QB 25 no 0.0 0.0 0.000 0.001 0.001 8 0 no 0.107 0 0
1 66 LEU QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 LEU QD 14 no 0.0 0.0 0.000 0.000 0.000 12 0 no 0.053 0 0
1 67 GLN QB 39 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 67 GLN QE 121 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 67 GLN QG 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 GLY QA 183 no 100.0 0.0 0.000 0.001 0.001 2 2 no 0.093 0 0
1 70 ASP QB 161 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.134 0 0
1 71 GLU QB 160 no 100.0 0.0 0.000 0.011 0.011 2 0 no 0.286 0 0
1 71 GLU QG 94 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.085 0 0
1 73 LYS QB 38 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.007 0 0
1 73 LYS QD 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 73 LYS QE 120 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 73 LYS QG 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 HIS QB 92 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.085 0 0
1 76 ASP QB 91 no 0.0 0.0 0.000 0.010 0.010 4 0 no 0.133 0 0
1 77 ASP QB 90 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.123 0 0
1 78 CYS QB 158 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.034 0 0
1 80 VAL QG 37 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.016 0 0
1 81 VAL QG 8 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 82 ILE QG 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 LYS QB 89 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.059 0 0
1 84 LYS QD 18 no 100.0 0.0 0.000 0.007 0.007 10 4 no 0.250 0 0
1 84 LYS QE 119 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 84 LYS QG 36 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.012 0 0
1 85 GLN QB 16 no 100.0 0.0 0.000 0.021 0.021 12 4 no 0.176 0 0
1 85 GLN QE 20 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.065 0 0
1 85 GLN QG 35 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 86 ILE QG 88 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 LEU QB 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.072 0 0
1 87 LEU QD 12 no 80.0 99.8 0.850 0.852 0.002 13 0 no 0.136 0 0
1 88 SER QB 86 no 100.0 0.0 0.000 0.009 0.009 4 0 no 0.174 0 0
1 89 SER QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 ARG QB 118 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 90 ARG QD 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.035 0 0
1 91 PRO QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 PRO QD 55 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 92 LYS QG 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 LEU QB 85 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.131 0 0
1 93 LEU QD 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 15 GLU QB 151 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.088 0 0
2 15 GLU QG 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 16 ASN QB 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 17 LEU QB 84 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.250 0 0
2 17 LEU QD 46 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 18 TYR QB 83 no 5.0 0.0 0.000 0.017 0.017 4 0 no 0.231 0 0
2 19 PHE QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 20 GLN QB 147 no 100.0 0.0 0.000 0.008 0.008 2 0 no 0.243 0 0
2 20 GLN QG 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 22 MET QB 45 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.085 0 0
2 22 MET QG 82 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 24 ASP QB 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 28 GLU QB 81 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.186 0 0
2 28 GLU QG 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 30 VAL QG 44 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 31 ARG QB 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
2 32 LYS QB 43 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.061 0 0
2 32 LYS QG 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 33 ILE QG 80 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 37 LEU QB 141 no 100.0 0.0 0.000 0.005 0.005 2 0 no 0.098 0 0
2 37 LEU QD 24 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 38 LEU QB 79 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.065 0 0
2 38 LEU QD 3 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
2 39 LYS QB 78 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.157 0 0
2 39 LYS QD 77 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.255 0 0
2 39 LYS QG 42 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.088 0 0
2 42 ILE QG 140 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 43 GLU QB 139 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.124 0 0
2 43 GLU QG 34 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.052 0 0
2 44 ILE QG 76 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.061 0 0
2 45 VAL QG 9 no 100.0 0.0 0.000 0.000 0.000 14 12 no 0.052 0 0
2 46 SER QB 23 no 100.0 0.0 0.000 0.006 0.006 8 0 no 0.144 0 0
2 47 GLU QB 22 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.156 0 0
2 47 GLU QG 75 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 48 GLU QB 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.062 0 0
2 48 GLU QG 74 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 49 ASP QB 73 no 0.0 0.0 0.000 0.005 0.005 4 0 no 0.146 0 0
2 51 GLY QA 72 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.123 0 0
2 53 HIS QB 54 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.052 0 0
2 54 ASN QB 182 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 55 GLN QB 71 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.091 0 0
2 55 GLN QE 117 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 55 GLN QG 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 56 CYS QB 70 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.057 0 0
2 57 LYS QB 69 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.070 0 0
2 57 LYS QG 136 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 58 LEU QB 68 no 100.0 0.0 0.000 0.052 0.052 4 0 no 0.549 0 1
2 58 LEU QD 1 no 100.0 99.8 3.951 3.958 0.007 18 0 no 0.183 0 0
2 59 CYS QB 135 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.101 0 0
2 62 SER QB 41 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.046 0 0
2 63 VAL QG 5 no 90.0 99.9 2.791 2.792 0.001 15 4 no 0.086 0 0
2 64 PRO QB 134 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.037 0 0
2 65 TRP QB 21 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.015 0 0
2 66 LEU QB 133 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 66 LEU QD 13 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.040 0 0
2 67 GLN QB 33 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 67 GLN QE 116 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 67 GLN QG 67 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 69 GLY QA 181 no 0.0 0.0 0.000 0.001 0.001 2 2 no 0.086 0 0
2 70 ASP QB 132 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.093 0 0
2 71 GLU QB 131 no 0.0 0.0 0.000 0.027 0.027 2 0 no 0.313 0 0
2 71 GLU QG 66 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.198 0 0
2 73 LYS QB 32 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.008 0 0
2 73 LYS QD 65 no 0.0 0.0 0.000 0.002 0.002 4 0 no 0.154 0 0
2 73 LYS QE 115 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 73 LYS QG 130 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 74 HIS QB 64 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.133 0 0
2 76 ASP QB 63 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.141 0 0
2 77 ASP QB 62 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.076 0 0
2 78 CYS QB 129 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.038 0 0
2 80 VAL QG 31 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 81 VAL QG 7 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
2 82 ILE QG 128 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 84 LYS QB 61 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.099 0 0
2 84 LYS QD 17 no 0.0 0.0 0.000 0.003 0.003 10 4 no 0.141 0 0
2 84 LYS QE 114 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 84 LYS QG 30 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 85 GLN QB 15 no 100.0 0.0 0.000 0.016 0.016 12 4 no 0.176 0 0
2 85 GLN QE 19 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.056 0 0
2 85 GLN QG 29 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 86 ILE QG 60 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 87 LEU QB 59 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.132 0 0
2 87 LEU QD 11 no 85.0 99.9 0.686 0.687 0.001 13 0 no 0.072 0 0
2 88 SER QB 58 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.115 0 0
2 89 SER QB 127 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.030 0 0
2 90 ARG QB 113 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 90 ARG QD 126 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.023 0 0
2 91 PRO QB 125 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.063 0 0
2 91 PRO QD 53 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 92 LYS QG 124 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 93 LEU QB 57 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 93 LEU QD 123 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
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