NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
539412 |
2lqm   |
18320 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lqm
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 194
_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 0.799
_Stereo_assign_list.Total_e_high_states 680.236
_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 PHE QB 139 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.002 0 0
1 4 ARG QB 166 no 100.0 100.0 2.372 2.373 0.001 4 1 no 0.096 0 0
1 4 ARG QD 164 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.077 0 0
1 4 ARG QG 119 no 100.0 99.9 5.896 5.901 0.005 7 0 no 0.156 0 0
1 5 ASP QB 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.060 0 0
1 7 GLU QG 55 no 100.0 99.5 3.003 3.018 0.015 13 0 no 0.159 0 0
1 8 VAL QG 10 no 100.0 100.0 11.862 11.867 0.005 25 3 no 0.079 0 0
1 9 TYR QB 38 no 100.0 99.7 1.414 1.418 0.004 15 6 no 0.121 0 0
1 10 TYR QB 76 no 100.0 98.9 2.882 2.914 0.032 11 3 no 0.370 0 0
1 11 GLU QB 132 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.109 0 0
1 11 GLU QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.037 0 0
1 12 ASN QB 75 no 100.0 99.6 0.501 0.503 0.002 11 3 no 0.095 0 0
1 12 ASN QD 100 no 100.0 99.9 1.224 1.224 0.001 9 5 no 0.074 0 0
1 15 VAL QG 138 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.059 0 0
1 16 PRO QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 PRO QD 73 no 100.0 99.1 1.324 1.336 0.012 11 2 no 0.133 0 0
1 16 PRO QG 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 HIS QB 118 no 100.0 100.0 0.292 0.292 0.000 7 0 no 0.000 0 0
1 19 GLU QB 117 no 100.0 100.0 2.551 2.552 0.000 7 0 no 0.041 0 0
1 19 GLU QG 45 no 100.0 99.3 1.286 1.295 0.009 14 1 no 0.116 0 0
1 20 SER QB 131 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.028 0 0
1 21 ILE QG 172 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 22 GLU QB 69 no 100.0 99.8 3.729 3.736 0.007 11 1 no 0.162 0 0
1 23 GLU QB 98 no 100.0 100.0 3.390 3.391 0.001 9 0 no 0.064 0 0
1 24 MET QB 85 no 100.0 99.4 1.050 1.056 0.006 10 1 no 0.100 0 0
1 25 TYR QB 33 no 100.0 98.8 0.928 0.939 0.011 15 1 no 0.122 0 0
1 26 SER QB 147 no 100.0 99.9 2.102 2.104 0.002 5 2 no 0.114 0 0
1 27 LYS QB 60 no 100.0 99.8 2.381 2.386 0.005 12 2 no 0.113 0 0
1 27 LYS QG 82 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.088 0 0
1 28 TYR QB 24 no 100.0 99.8 4.735 4.743 0.008 17 3 no 0.124 0 0
1 31 MET QB 68 no 100.0 99.8 3.391 3.397 0.005 11 1 no 0.098 0 0
1 31 MET QG 41 no 100.0 99.9 2.482 2.484 0.002 14 0 no 0.070 0 0
1 32 ASN QB 39 no 100.0 100.0 7.664 7.667 0.003 15 8 no 0.098 0 0
1 32 ASN QD 14 no 100.0 100.0 1.695 1.695 0.000 22 10 no 0.029 0 0
1 33 GLY QA 44 no 100.0 99.7 0.940 0.943 0.003 14 1 no 0.075 0 0
1 35 LEU QB 193 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 35 LEU QD 64 no 100.0 100.0 2.655 2.655 0.000 12 5 no 0.035 0 0
1 36 PRO QB 145 no 100.0 100.0 0.421 0.421 0.000 5 0 no 0.013 0 0
1 36 PRO QD 89 no 100.0 99.4 1.310 1.318 0.008 10 2 no 0.093 0 0
1 36 PRO QG 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.021 0 0
1 37 PHE QB 116 no 100.0 99.7 1.416 1.420 0.004 7 0 no 0.107 0 0
1 38 ASP QB 56 no 100.0 99.4 2.365 2.379 0.014 13 2 no 0.161 0 0
1 39 ASN QB 37 no 100.0 97.1 0.519 0.534 0.015 15 6 no 0.231 0 0
1 39 ASN QD 143 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.049 0 0
1 40 GLY QA 23 no 100.0 99.9 3.067 3.069 0.002 17 2 no 0.098 0 0
1 41 TYR QB 36 no 100.0 99.6 3.394 3.408 0.015 15 5 no 0.180 0 0
1 43 VAL QG 1 no 100.0 100.0 49.865 49.871 0.006 54 11 no 0.112 0 0
1 44 PRO QB 140 no 100.0 99.9 1.166 1.167 0.001 6 3 no 0.063 0 0
1 44 PRO QG 101 no 100.0 99.8 3.229 3.237 0.008 9 6 no 0.106 0 0
1 45 LEU QB 58 no 100.0 98.7 0.201 0.204 0.003 13 4 no 0.113 0 0
1 45 LEU QD 9 no 100.0 0.0 0.000 0.001 0.001 26 6 no 0.072 0 0
1 46 ASP QB 94 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.022 0 0
1 47 ASN QB 40 no 100.0 99.7 1.539 1.543 0.005 15 9 no 0.112 0 0
1 47 ASN QD 171 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.026 0 0
1 48 VAL QG 4 no 100.0 100.0 36.703 36.708 0.005 37 11 no 0.093 0 0
1 50 VAL QG 104 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.160 0 0
1 51 TYR QB 130 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.133 0 0
1 53 LEU QB 121 no 95.0 100.0 0.561 0.561 0.000 7 2 no 0.024 0 0
1 53 LEU QD 93 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.084 0 0
1 54 ASP QB 108 no 100.0 0.0 0.000 0.009 0.009 8 2 no 0.141 0 0
1 55 ILE QG 129 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.096 0 0
1 57 SER QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.040 0 0
1 58 GLY QA 170 no 100.0 0.0 0.000 0.002 0.002 4 4 no 0.084 0 0
1 59 GLU QB 189 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.116 0 0
1 59 GLU QG 161 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.083 0 0
1 60 ILE QG 61 no 100.0 99.7 1.849 1.854 0.005 12 3 no 0.116 0 0
1 61 LYS QB 144 no 100.0 99.6 0.508 0.510 0.002 5 0 no 0.073 0 0
1 61 LYS QG 72 no 100.0 99.9 4.408 4.411 0.003 11 2 no 0.111 0 0
1 62 LYS QB 103 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.045 0 0
1 62 LYS QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.043 0 0
1 64 ARG QD 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 ARG QG 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 SER QB 63 no 0.0 0.0 0.000 0.001 0.001 12 4 no 0.059 0 0
1 67 TYR QB 22 no 100.0 99.5 0.939 0.944 0.005 18 4 no 0.116 0 0
1 68 ILE QG 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 TYR QB 35 no 100.0 99.9 2.743 2.746 0.003 15 4 no 0.112 0 0
1 70 ARG QB 158 no 100.0 99.9 0.851 0.852 0.001 4 0 no 0.089 0 0
1 70 ARG QG 142 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 71 GLU QB 137 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.014 0 0
1 72 LYS QB 105 no 100.0 99.7 1.446 1.451 0.005 8 1 no 0.162 0 0
1 72 LYS QD 84 no 100.0 100.0 1.448 1.449 0.001 10 1 no 0.071 0 0
1 72 LYS QE 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.069 0 0
1 73 VAL QG 15 no 100.0 100.0 11.704 11.708 0.004 21 3 no 0.101 0 0
1 74 GLU QB 97 no 100.0 99.9 1.131 1.131 0.001 9 0 no 0.062 0 0
1 74 GLU QG 34 no 100.0 98.8 3.170 3.208 0.038 15 3 no 0.223 0 0
1 75 LYS QG 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 76 LEU QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 76 LEU QD 13 no 100.0 0.0 0.000 0.001 0.001 22 4 no 0.054 0 0
1 78 GLU QB 43 no 100.0 99.9 2.117 2.119 0.002 14 1 no 0.126 0 0
1 78 GLU QG 92 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.052 0 0
1 80 LYS QB 20 no 100.0 99.8 3.701 3.707 0.006 19 5 no 0.110 0 0
1 80 LYS QG 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 81 LEU QB 57 no 100.0 100.0 4.115 4.116 0.001 13 4 no 0.071 0 0
1 81 LEU QD 7 no 100.0 100.0 30.493 30.498 0.005 29 9 no 0.075 0 0
1 82 SER QB 102 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.075 0 0
1 83 SER QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.014 0 0
1 84 GLY QA 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 85 TYR QB 107 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.064 0 0
1 86 SER QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.020 0 0
1 87 LEU QB 120 no 100.0 100.0 1.703 1.703 0.000 7 1 no 0.000 0 0
1 87 LEU QD 168 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 88 LYS QB 71 no 100.0 99.9 1.486 1.487 0.001 11 2 no 0.087 0 0
1 88 LYS QE 66 no 0.0 0.0 0.000 0.008 0.008 12 6 no 0.173 0 0
1 88 LYS QG 30 no 0.0 0.0 0.000 0.001 0.001 16 8 no 0.065 0 0
1 89 VAL QG 3 no 100.0 100.0 26.686 26.687 0.000 37 7 no 0.026 0 0
1 91 PRO QB 31 no 100.0 99.2 0.452 0.456 0.004 15 0 no 0.121 0 0
1 91 PRO QD 25 no 100.0 99.6 1.040 1.044 0.005 16 1 no 0.089 0 0
1 91 PRO QG 32 no 100.0 99.9 3.966 3.970 0.003 15 1 no 0.107 0 0
1 92 SER QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 94 PRO QB 114 no 90.0 99.7 0.175 0.175 0.001 8 4 no 0.072 0 0
1 94 PRO QG 194 no 20.0 87.3 0.000 0.000 0.000 1 0 no 0.031 0 0
1 95 VAL QG 26 no 100.0 100.0 19.232 19.232 0.000 16 2 no 0.040 0 0
1 96 LEU QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 LEU QD 50 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.050 0 0
1 97 LEU QB 52 no 100.0 96.3 2.029 2.106 0.077 14 5 no 0.766 0 2
1 97 LEU QD 67 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.024 0 0
1 98 PHE QB 113 no 100.0 0.0 0.000 0.006 0.006 8 4 no 0.166 0 0
1 99 ARG QB 96 no 100.0 0.0 0.000 0.002 0.002 10 8 no 0.104 0 0
1 99 ARG QD 169 no 100.0 0.0 0.000 0.001 0.001 4 4 no 0.083 0 0
1 99 ARG QG 153 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.125 0 0
1 100 ASP QB 152 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.085 0 0
1 101 GLY QA 29 no 100.0 98.9 1.107 1.119 0.012 16 6 no 0.127 0 0
1 102 LEU QB 78 no 100.0 100.0 1.229 1.229 0.000 11 4 no 0.021 0 0
1 102 LEU QD 28 no 100.0 100.0 21.067 21.071 0.004 16 4 no 0.076 0 0
1 103 GLN QB 126 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.061 0 0
1 103 GLN QE 65 no 100.0 99.3 1.329 1.338 0.009 12 6 no 0.173 0 0
1 104 TRP QB 99 no 100.0 100.0 1.056 1.056 0.000 9 4 no 0.044 0 0
1 105 VAL QG 21 no 100.0 100.0 32.426 32.427 0.001 18 4 no 0.083 0 0
1 106 PRO QB 54 no 100.0 100.0 4.905 4.906 0.001 13 0 no 0.040 0 0
1 106 PRO QD 88 no 100.0 100.0 1.904 1.904 0.001 10 2 no 0.049 0 0
1 109 GLU QB 110 no 100.0 100.0 0.872 0.872 0.000 8 3 no 0.000 0 0
1 110 VAL QG 8 no 100.0 100.0 44.989 45.012 0.022 27 4 no 0.164 0 0
1 111 LYS QB 146 no 100.0 100.0 0.588 0.588 0.000 5 2 no 0.009 0 0
1 111 LYS QG 91 no 100.0 99.7 4.069 4.082 0.013 10 4 no 0.164 0 0
1 112 PRO QB 51 no 100.0 99.9 4.248 4.251 0.002 14 5 no 0.098 0 0
1 112 PRO QD 59 no 100.0 99.7 3.964 3.976 0.011 13 7 no 0.120 0 0
1 112 PRO QG 109 no 100.0 99.9 3.005 3.007 0.003 8 3 no 0.090 0 0
1 113 GLY QA 79 no 100.0 99.9 2.880 2.883 0.002 11 5 no 0.098 0 0
1 114 ASP QB 12 no 100.0 99.3 2.709 2.728 0.019 23 8 no 0.236 0 0
1 115 VAL QG 112 no 100.0 0.0 0.000 0.007 0.007 8 4 no 0.166 0 0
1 116 VAL QG 42 no 100.0 100.0 12.257 12.262 0.004 14 1 no 0.077 0 0
1 117 VAL QG 19 no 100.0 100.0 15.364 15.365 0.000 19 4 no 0.059 0 0
1 118 GLY QA 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 VAL QG 11 no 100.0 100.0 25.142 25.150 0.008 25 7 no 0.140 0 0
1 120 ARG QB 134 no 100.0 99.8 0.853 0.855 0.002 6 1 no 0.116 0 0
1 122 GLU QB 173 no 100.0 99.6 1.548 1.554 0.005 3 0 no 0.125 0 0
1 123 VAL QG 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.044 0 0
1 124 LEU QD 87 no 100.0 0.0 0.000 0.001 0.001 10 2 no 0.081 0 0
1 129 ILE QG 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.029 0 0
1 130 SER QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 131 LYS QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 GLY QA 47 no 100.0 99.9 3.849 3.854 0.005 14 2 no 0.097 0 0
1 133 GLU QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.039 0 0
1 134 LEU QB 165 no 100.0 100.0 1.507 1.508 0.000 4 1 no 0.042 0 0
1 134 LEU QD 74 no 100.0 100.0 13.492 13.493 0.001 11 3 no 0.063 0 0
1 135 GLU QG 125 no 0.0 0.0 0.000 0.011 0.011 6 0 no 0.184 0 0
1 136 PHE QB 150 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.196 0 0
1 137 HIS QB 95 no 100.0 0.0 0.000 0.003 0.003 10 6 no 0.170 0 0
1 138 GLU QG 136 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 139 VAL QG 6 no 100.0 100.0 21.612 21.614 0.002 32 6 no 0.051 0 0
1 140 SER QB 17 no 100.0 99.9 3.802 3.807 0.005 20 4 no 0.110 0 0
1 141 SER QB 111 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.081 0 0
1 142 VAL QG 18 no 100.0 100.0 11.742 11.746 0.004 20 6 no 0.090 0 0
1 143 ARG QB 124 no 100.0 100.0 1.114 1.114 0.000 6 0 no 0.045 0 0
1 143 ARG QG 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 ILE QG 53 no 100.0 99.9 1.599 1.602 0.002 13 0 no 0.079 0 0
1 145 ILE QG 49 no 100.0 98.6 1.682 1.706 0.024 14 3 no 0.190 0 0
1 147 TYR QB 16 no 100.0 99.7 6.664 6.683 0.019 20 4 no 0.248 0 0
1 148 ASN QD 106 no 0.0 0.0 0.000 0.017 0.017 8 2 no 0.226 0 0
1 149 ASN QD 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 150 TRP QB 77 no 100.0 99.7 3.380 3.392 0.011 11 4 no 0.125 0 0
1 151 VAL QG 2 no 100.0 100.0 36.838 36.848 0.010 44 10 no 0.080 0 0
1 152 TYR QB 62 no 0.0 0.0 0.000 0.001 0.001 12 4 no 0.093 0 0
1 153 ASP QB 70 no 100.0 99.5 1.590 1.598 0.007 11 2 no 0.179 0 0
1 154 LEU QB 123 no 100.0 99.7 1.547 1.553 0.005 6 0 no 0.108 0 0
1 154 LEU QD 81 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.094 0 0
1 155 VAL QG 5 no 100.0 100.0 61.794 61.799 0.005 34 13 no 0.112 0 0
1 156 ILE QG 83 no 100.0 99.7 1.479 1.483 0.004 10 1 no 0.096 0 0
1 157 PRO QB 167 no 100.0 100.0 1.705 1.706 0.000 4 2 no 0.065 0 0
1 157 PRO QG 90 no 100.0 99.9 2.187 2.189 0.002 10 3 no 0.085 0 0
1 158 GLU QB 148 no 0.0 0.0 0.000 0.003 0.003 4 0 no 0.100 0 0
1 160 HIS QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 ASN QB 115 no 100.0 100.0 0.311 0.311 0.000 7 0 no 0.037 0 0
1 161 ASN QD 46 no 100.0 96.6 0.541 0.560 0.019 14 2 no 0.304 0 0
1 162 PHE QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 165 PRO QB 86 no 100.0 99.8 2.433 2.438 0.006 10 2 no 0.126 0 0
1 165 PRO QD 122 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.075 0 0
1 165 PRO QG 48 no 100.0 99.5 3.751 3.771 0.020 14 3 no 0.174 0 0
1 166 ASN QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 167 GLY QA 27 no 100.0 99.6 0.966 0.970 0.004 16 4 no 0.078 0 0
1 168 LEU QB 141 no 100.0 99.8 1.441 1.443 0.002 6 4 no 0.078 0 0
1 168 LEU QD 135 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 170 LEU QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 170 LEU QD 80 no 0.0 0.0 0.000 0.003 0.003 10 0 no 0.071 0 0
stop_
save_
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