NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
545791 |
2lv8   |
18558 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lv8
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 186
_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 0.108
_Stereo_assign_list.Total_e_high_states 169.763
_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 MET QB 162 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 1 MET QG 68 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.155 0 0
1 2 LEU QB 93 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.057 0 0
1 2 LEU QD 10 no 100.0 100.0 11.387 11.391 0.004 48 14 no 0.149 0 0
1 3 LEU QB 34 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.033 0 0
1 3 LEU QD 2 no 100.0 100.0 10.789 10.793 0.004 73 28 no 0.164 0 0
1 4 TYR QB 46 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 5 VAL QG 6 no 100.0 100.0 6.384 6.384 0.000 53 14 no 0.000 0 0
1 6 LEU QB 26 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.000 0 0
1 6 LEU QD 15 no 100.0 99.9 13.021 13.028 0.007 46 12 no 0.160 0 0
1 7 ILE QG 41 no 100.0 0.0 0.000 0.001 0.001 12 2 no 0.172 0 0
1 8 ILE QG 81 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.007 0 0
1 9 SER QB 19 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.091 0 0
1 10 ASN QB 122 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 10 ASN QD 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 ASP QB 27 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.094 0 0
1 12 LYS QB 135 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 12 LYS QD 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 12 LYS QE 134 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.091 0 0
1 12 LYS QG 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 13 LYS QD 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 LYS QE 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 LYS QG 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 14 LEU QB 92 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.094 0 0
1 14 LEU QD 3 no 100.0 99.9 12.169 12.177 0.008 66 14 no 0.174 0 0
1 15 ILE QG 67 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 16 GLU QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 GLU QG 120 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 17 GLU QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 GLU QG 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 19 ARG QB 80 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 19 ARG QD 88 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 19 ARG QG 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 20 LYS QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 LYS QG 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 MET QB 79 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 21 MET QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 GLU QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 GLU QG 58 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 24 LYS QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 LYS QD 117 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 24 LYS QE 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 LYS QG 78 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 26 ASN QB 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 26 ASN QD 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 27 LEU QB 95 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 27 LEU QD 8 no 100.0 100.0 2.682 2.683 0.001 49 12 no 0.075 0 0
1 28 GLU QB 57 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 28 GLU QG 77 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 29 LEU QB 87 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 29 LEU QD 7 no 100.0 100.0 8.949 8.950 0.001 49 5 no 0.127 0 0
1 30 ARG QD 126 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.085 0 0
1 30 ARG QG 125 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 32 VAL QG 13 no 100.0 100.0 11.868 11.868 0.000 46 7 no 0.044 0 0
1 33 LYS QB 177 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.176 0 0
1 33 LYS QD 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 LYS QE 115 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.236 0 0
1 33 LYS QG 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 35 GLU QB 71 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.059 0 0
1 35 GLU QG 124 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 36 ASP QB 76 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 37 GLU QB 28 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.058 0 0
1 37 GLU QG 40 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 38 LEU QB 86 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 38 LEU QD 18 no 100.0 99.9 2.280 2.282 0.002 35 5 no 0.119 0 0
1 39 LYS QB 70 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 39 LYS QD 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 LYS QE 94 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 39 LYS QG 75 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.094 0 0
1 40 LYS QB 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 40 LYS QD 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 40 LYS QE 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.025 0 0
1 40 LYS QG 37 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 41 TYR QB 49 no 100.0 0.0 0.000 0.002 0.002 12 6 no 0.119 0 0
1 42 LEU QB 32 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 42 LEU QD 11 no 100.0 100.0 12.926 12.928 0.002 47 12 no 0.158 0 0
1 43 GLU QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 GLU QG 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 44 GLU QB 110 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 44 GLU QG 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 45 PHE QB 133 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 46 ARG QB 132 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.084 0 0
1 46 ARG QD 56 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.026 0 0
1 46 ARG QG 45 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 47 LYS QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 47 LYS QD 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.028 0 0
1 47 LYS QE 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 47 LYS QG 108 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 48 GLU QB 107 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 48 GLU QG 55 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 49 SER QB 24 no 100.0 0.0 0.000 0.008 0.008 16 4 no 0.268 0 0
1 50 GLN QB 123 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.076 0 0
1 50 GLN QE 131 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.038 0 0
1 50 GLN QG 85 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.010 0 0
1 51 ASN QB 60 no 100.0 0.0 0.000 0.003 0.003 10 2 no 0.149 0 0
1 51 ASN QD 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 52 ILE QG 54 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 53 LYS QB 25 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.023 0 0
1 53 LYS QD 59 no 100.0 0.0 0.000 0.001 0.001 10 2 no 0.141 0 0
1 53 LYS QE 36 no 100.0 0.0 0.000 0.002 0.002 14 8 no 0.105 0 0
1 53 LYS QG 53 no 100.0 0.0 0.000 0.003 0.003 10 0 no 0.255 0 0
1 54 VAL QG 14 no 100.0 100.0 4.045 4.045 0.000 46 8 no 0.000 0 0
1 55 LEU QB 22 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.000 0 0
1 55 LEU QD 1 no 100.0 100.0 15.972 15.973 0.000 73 23 no 0.054 0 0
1 56 ILE QG 52 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 57 LEU QB 31 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 57 LEU QD 12 no 100.0 100.0 14.547 14.551 0.004 47 13 no 0.131 0 0
1 58 VAL QG 5 no 100.0 100.0 8.415 8.417 0.002 61 13 no 0.140 0 0
1 59 SER QB 66 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 60 ASN QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 60 ASN QD 91 no 100.0 0.0 0.000 0.008 0.008 8 4 no 0.334 0 0
1 61 ASP QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 62 GLU QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 62 GLU QG 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 GLU QB 20 no 100.0 0.0 0.000 0.001 0.001 18 4 no 0.140 0 0
1 63 GLU QG 65 no 0.0 0.0 0.000 0.008 0.008 10 4 no 0.334 0 0
1 64 LEU QB 48 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 64 LEU QD 9 no 100.0 100.0 9.909 9.910 0.002 48 7 no 0.083 0 0
1 65 ASP QB 74 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.042 0 0
1 66 LYS QB 64 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 66 LYS QD 145 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.231 0 0
1 66 LYS QE 69 no 100.0 0.0 0.000 0.002 0.002 10 6 no 0.160 0 0
1 66 LYS QG 130 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 68 LYS QB 51 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 68 LYS QD 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 LYS QE 21 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.025 0 0
1 68 LYS QG 73 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 69 GLU QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 69 GLU QG 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.079 0 0
1 70 LEU QB 44 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 70 LEU QD 16 no 100.0 99.9 6.117 6.120 0.003 44 10 no 0.240 0 0
1 72 GLN QB 106 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 72 GLN QE 129 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 72 GLN QG 84 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 73 LYS QD 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 73 LYS QE 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.060 0 0
1 73 LYS QG 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 74 MET QB 102 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 74 MET QG 39 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.038 0 0
1 75 GLU QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 GLU QG 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 76 ILE QG 33 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.000 0 0
1 77 ASP QB 101 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 78 VAL QG 17 no 100.0 100.0 10.384 10.389 0.004 38 4 no 0.121 0 0
1 79 ARG QB 43 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 79 ARG QD 83 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.076 0 0
1 79 ARG QG 161 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.054 0 0
1 81 ARG QB 160 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 81 ARG QD 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 ARG QG 128 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 82 LYS QB 35 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 82 LYS QD 47 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 82 LYS QE 90 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.046 0 0
1 82 LYS QG 82 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 83 VAL QG 4 no 100.0 100.0 7.768 7.768 0.000 64 9 no 0.057 0 0
1 85 SER QB 169 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.153 0 0
1 86 PRO QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 PRO QD 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 86 PRO QG 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 ASP QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 GLU QB 38 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.009 0 0
1 88 GLU QG 50 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 90 LYS QD 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 90 LYS QG 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 91 ARG QB 63 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 91 ARG QD 42 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.010 0 0
1 91 ARG QG 99 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 92 TRP QB 23 no 100.0 0.0 0.000 0.000 0.000 18 12 no 0.000 0 0
1 93 ILE QG 62 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 94 LYS QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 LYS QD 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 94 LYS QE 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 LYS QG 72 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 95 GLU QB 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 95 GLU QG 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 96 PHE QB 61 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 97 SER QB 30 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 98 GLU QG 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 99 GLU QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 99 GLU QG 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 100 GLY QA 127 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.022 0 0
1 101 GLY QA 164 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.246 0 0
1 103 LEU QB 89 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 103 LEU QD 29 no 85.0 97.0 0.041 0.042 0.001 14 4 no 0.100 0 0
1 104 GLU QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 GLU QG 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
stop_
save_
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