Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
418428 | 2e4j RC | 10137 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2e4j
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 184
_Stereo_assign_list.Swap_count 3
_Stereo_assign_list.Swap_percentage 1.6
_Stereo_assign_list.Deassign_count 14
_Stereo_assign_list.Deassign_percentage 7.6
_Stereo_assign_list.Model_count 15
_Stereo_assign_list.Total_e_low_states 47.105
_Stereo_assign_list.Total_e_high_states 411.096
_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 3 GLN QB 179 no 93.3 100.0 0.028 0.028 0.000 1 0 no 0.000 0 0
1 3 GLN QG 178 no 33.3 98.5 0.036 0.036 0.001 1 0 no 0.092 0 0
1 6 ASP QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 VAL QG 59 no 26.7 100.0 0.099 0.099 0.000 6 1 no 0.007 0 0
1 10 PRO QB 81 no 100.0 100.0 0.046 0.046 0.000 5 1 no 0.000 0 0
1 10 PRO QG 154 no 100.0 100.0 0.349 0.349 0.000 2 1 no 0.000 0 0
1 11 ASN QB 57 no 93.3 100.0 0.037 0.037 0.000 6 0 no 0.000 0 0
1 12 PHE QB 122 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 12 PHE QD 108 no 100.0 100.0 19.779 19.779 0.000 4 2 no 0.015 0 0
1 12 PHE QE 177 no 100.0 100.0 2.867 2.867 0.000 1 0 no 0.000 0 0
1 13 GLN QB 11 no 20.0 100.0 0.013 0.013 0.000 10 1 no 0.000 0 0
1 13 GLN QG 125 no 100.0 100.0 0.849 0.849 0.000 3 1 no 0.000 0 0
1 14 GLN QB 184 no 6.7 100.0 0.003 0.003 0.000 1 1 no 0.000 0 0
1 15 ASP QB 24 no 100.0 99.7 1.025 1.028 0.003 8 0 no 0.043 0 0
1 17 PHE QB 121 no 100.0 100.0 0.918 0.918 0.000 3 0 no 0.009 0 0
1 17 PHE QD 75 no 93.3 94.3 17.971 19.066 1.096 5 0 yes 3.273 3 5
1 17 PHE QE 120 no 93.3 92.8 17.576 18.947 1.371 3 0 yes 4.013 3 3
1 18 LEU QB 80 no 100.0 100.0 0.921 0.921 0.000 5 1 no 0.005 0 0
1 18 LEU QD 8 no 100.0 0.0 0.000 0.000 0.000 11 1 no 0.000 0 0
1 19 GLY QA 100 no 100.0 100.0 0.054 0.054 0.000 4 1 no 0.000 0 0
1 20 ARG QB 147 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 ARG QD 96 no 100.0 100.0 2.104 2.104 0.000 4 0 no 0.003 0 0
1 20 ARG QG 146 no 100.0 100.0 0.304 0.304 0.000 2 0 no 0.000 0 0
1 21 TRP QB 109 no 100.0 45.4 2.900 6.384 3.484 4 3 yes 2.051 3 3
1 22 TYR QB 37 no 100.0 0.0 0.000 0.018 0.018 7 0 no 0.150 0 0
1 22 TYR QD 119 no 100.0 99.9 3.958 3.960 0.002 3 0 no 0.060 0 0
1 23 SER QB 156 no 26.7 46.5 1.538 3.310 1.772 2 2 no 0.000 0 0
1 25 GLY QA 176 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 26 LEU QB 86 no 100.0 100.0 0.309 0.309 0.000 5 2 no 0.000 0 0
1 26 LEU QD 25 no 100.0 100.0 1.176 1.176 0.000 8 2 no 0.016 0 0
1 28 SER QB 175 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 29 ASN QB 74 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.014 0 0
1 33 PHE QB 107 no 60.0 36.9 0.022 0.061 0.038 4 2 no 0.340 0 0
1 33 PHE QD 128 no 73.3 88.2 3.352 3.800 0.448 3 2 yes 3.548 10 10
1 34 ARG QB 85 no 86.7 98.2 0.489 0.498 0.009 5 2 no 0.160 0 0
1 34 ARG QD 153 no 53.3 100.0 0.163 0.163 0.000 2 1 no 0.000 0 0
1 34 ARG QG 183 no 46.7 92.5 0.005 0.006 0.000 1 1 no 0.073 0 0
1 35 GLU QB 145 no 93.3 100.0 0.064 0.064 0.000 2 0 no 0.006 0 0
1 36 LYS QB 73 no 13.3 100.0 0.029 0.029 0.000 5 0 no 0.000 0 0
1 37 LYS QB 56 no 100.0 99.7 0.591 0.593 0.002 6 0 no 0.107 0 0
1 37 LYS QD 144 no 13.3 99.7 0.043 0.043 0.000 2 0 no 0.042 0 0
1 39 VAL QG 16 no 73.3 100.0 0.039 0.039 0.000 9 0 no 0.000 0 0
1 40 LEU QB 20 no 66.7 100.0 0.055 0.055 0.000 9 3 no 0.000 0 0
1 40 LEU QD 7 no 60.0 100.0 0.097 0.097 0.000 12 3 no 0.010 0 0
1 41 TYR QB 40 no 20.0 100.0 0.048 0.048 0.000 7 1 no 0.000 0 0
1 41 TYR QD 127 yes 93.3 93.4 13.561 14.516 0.955 3 2 yes 3.274 1 1
1 41 TYR QE 174 no 80.0 94.1 0.000 0.000 0.000 1 0 no 0.017 0 0
1 46 VAL QG 39 no 100.0 100.0 1.035 1.035 0.000 7 1 no 0.000 0 0
1 47 VAL QG 5 no 86.7 99.9 0.355 0.355 0.000 13 0 no 0.035 0 0
1 49 PRO QB 55 no 100.0 99.9 0.603 0.604 0.000 6 0 no 0.053 0 0
1 49 PRO QG 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 50 SER QB 23 no 100.0 97.6 0.205 0.210 0.005 8 0 no 0.055 0 0
1 52 GLU QB 30 no 0.0 0.0 0.000 0.000 0.000 8 3 no 0.037 0 0
1 52 GLU QG 143 no 100.0 100.0 1.597 1.597 0.000 2 0 no 0.023 0 0
1 53 GLY QA 29 no 100.0 99.0 0.058 0.058 0.001 8 3 no 0.037 0 0
1 54 GLY QA 33 no 100.0 99.8 2.843 2.849 0.005 8 4 no 0.136 0 0
1 55 LEU QB 14 no 100.0 99.9 2.661 2.663 0.002 10 3 no 0.053 0 0
1 55 LEU QD 9 no 100.0 100.0 3.588 3.588 0.000 11 4 no 0.007 0 0
1 56 ASN QB 72 no 100.0 100.0 0.318 0.318 0.000 5 0 no 0.000 0 0
1 57 LEU QB 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 SER QB 141 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 61 PHE QB 4 no 100.0 99.9 0.178 0.178 0.000 14 2 no 0.021 0 0
1 61 PHE QD 32 no 100.0 99.9 6.668 6.672 0.004 8 4 no 0.109 0 0
1 61 PHE QE 173 no 100.0 100.0 7.378 7.378 0.000 1 0 no 0.038 0 0
1 62 LEU QB 43 no 73.3 98.5 0.243 0.246 0.004 7 2 no 0.144 0 0
1 62 LEU QD 31 no 73.3 99.2 0.122 0.124 0.001 8 4 no 0.074 0 0
1 65 ASN QB 124 no 93.3 40.7 9.951 24.466 14.516 3 1 yes 3.779 1 1
1 66 GLN QB 140 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 GLU QB 36 no 100.0 100.0 0.000 0.000 0.000 7 0 no 0.014 0 0
1 68 GLU QG 118 no 26.7 100.0 0.012 0.012 0.000 3 0 no 0.000 0 0
1 70 LYS QB 84 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.031 0 0
1 71 ILE QG 71 no 26.7 100.0 0.019 0.019 0.000 5 0 no 0.000 0 0
1 72 MET QB 117 no 0.0 0.0 0.000 0.003 0.003 3 0 no 0.062 0 0
1 73 VAL QG 70 no 6.7 100.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 74 LEU QB 106 no 6.7 100.0 0.032 0.032 0.000 4 2 no 0.005 0 0
1 74 LEU QD 45 no 66.7 99.2 0.121 0.122 0.001 7 3 no 0.117 0 0
1 75 GLN QB 116 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 75 GLN QG 152 no 6.7 100.0 0.003 0.003 0.000 2 1 no 0.004 0 0
1 76 PRO QB 151 no 40.0 99.1 0.152 0.154 0.001 2 1 no 0.075 0 0
1 76 PRO QD 99 no 86.7 93.2 0.002 0.002 0.000 4 1 no 0.079 0 0
1 76 PRO QG 182 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 78 GLY QA 54 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 80 PRO QB 83 no 100.0 100.0 0.327 0.327 0.000 5 2 no 0.015 0 0
1 80 PRO QD 115 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 80 PRO QG 139 no 100.0 99.8 1.126 1.128 0.002 2 0 no 0.047 0 0
1 81 GLY QA 19 no 100.0 99.9 2.309 2.313 0.003 9 3 no 0.064 0 0
1 82 HIS QB 10 no 93.3 23.7 0.000 0.000 0.000 10 0 no 0.010 0 0
1 83 TYR QB 2 no 66.7 100.0 0.082 0.082 0.000 17 5 no 0.015 0 0
1 83 TYR QD 13 no 100.0 99.1 21.397 21.597 0.200 10 3 no 0.646 0 7
1 83 TYR QE 69 no 100.0 100.0 16.813 16.813 0.000 5 0 no 0.031 0 0
1 85 TYR QD 172 no 86.7 81.6 3.090 3.787 0.697 1 0 yes 2.368 2 2
1 85 TYR QE 171 no 86.7 82.5 5.224 6.335 1.111 1 0 yes 2.964 2 2
1 90 SER QB 138 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.047 0 0
1 91 GLY QA 53 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 92 SER QB 79 no 100.0 99.8 3.114 3.119 0.006 5 1 no 0.100 0 0
1 93 ILE QG 170 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 95 SER QB 169 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 96 VAL QG 28 no 100.0 100.0 8.064 8.064 0.000 8 3 no 0.025 0 0
1 97 SER QB 68 no 73.3 100.0 0.137 0.137 0.000 5 0 no 0.000 0 0
1 98 VAL QG 38 no 26.7 99.9 0.012 0.012 0.000 7 1 no 0.009 0 0
1 99 VAL QG 67 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 100 GLU QB 66 no 100.0 100.0 0.174 0.174 0.000 5 0 no 0.000 0 0
1 105 GLU QB 22 no 46.7 100.0 0.748 0.748 0.000 8 0 no 0.036 0 0
1 106 TYR QB 168 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 106 TYR QD 137 no 86.7 86.1 14.628 16.989 2.361 2 0 yes 4.187 2 4
1 106 TYR QE 136 no 86.7 79.8 5.774 7.236 1.462 2 0 yes 3.350 2 2
1 108 LEU QB 114 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.017 0 0
1 108 LEU QD 94 no 66.7 100.0 0.762 0.762 0.000 4 0 no 0.009 0 0
1 109 LEU QD 113 no 6.7 62.3 0.000 0.000 0.000 3 0 no 0.006 0 0
1 110 PHE QB 42 no 86.7 82.8 0.143 0.173 0.030 7 2 no 0.467 0 0
1 110 PHE QD 123 no 26.7 100.0 0.019 0.019 0.000 3 1 no 0.000 0 0
1 110 PHE QE 150 no 73.3 62.1 0.049 0.078 0.030 2 1 no 0.467 0 0
1 111 SER QB 27 no 100.0 99.9 1.850 1.851 0.001 8 3 no 0.047 0 0
1 113 GLY QA 15 no 20.0 99.6 0.009 0.009 0.000 9 0 no 0.014 0 0
1 115 LYS QB 78 no 86.7 39.7 4.050 10.196 6.147 5 1 yes 3.988 8 10
1 115 LYS QD 112 no 86.7 99.6 0.700 0.703 0.003 3 0 no 0.113 0 0
1 115 LYS QG 135 no 53.3 99.7 0.303 0.304 0.001 2 0 no 0.069 0 0
1 116 GLY QA 181 no 86.7 99.8 1.173 1.175 0.002 1 1 no 0.092 0 0
1 119 GLN QB 52 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.066 0 0
1 120 ASP QB 134 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.046 0 0
1 121 PHE QB 180 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 121 PHE QD 82 no 66.7 67.3 5.853 8.701 2.847 5 2 yes 3.321 20 25
1 123 MET QB 61 no 100.0 99.9 1.791 1.793 0.002 6 3 no 0.054 0 0
1 123 MET QG 77 no 100.0 0.0 0.000 0.001 0.001 5 1 no 0.062 0 0
1 126 LEU QB 60 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 126 LEU QD 44 no 100.0 100.0 1.261 1.261 0.000 7 3 no 0.051 0 0
1 127 TYR QB 105 no 100.0 100.0 0.582 0.582 0.000 4 2 no 0.000 0 0
1 127 TYR QD 12 yes 80.0 74.2 17.062 22.991 5.929 10 3 yes 3.250 22 23
1 127 TYR QE 126 yes 80.0 75.9 7.105 9.364 2.259 3 2 yes 2.905 8 9
1 128 SER QB 6 no 100.0 99.8 2.947 2.953 0.006 12 0 no 0.120 0 0
1 129 ARG QB 65 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.009 0 0
1 131 GLN QB 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 131 GLN QG 133 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 133 LEU QB 104 no 100.0 100.0 0.693 0.694 0.000 4 2 no 0.024 0 0
1 133 LEU QD 46 no 100.0 100.0 5.208 5.208 0.000 7 4 no 0.032 0 0
1 134 LYS QB 92 no 100.0 100.0 0.051 0.051 0.000 4 0 no 0.000 0 0
1 134 LYS QD 167 no 100.0 96.4 2.083 2.161 0.077 1 0 no 0.329 0 0
1 134 LYS QG 166 no 100.0 99.8 0.449 0.450 0.001 1 0 no 0.100 0 0
1 135 ASP QB 91 no 100.0 97.0 0.486 0.501 0.015 4 0 no 0.151 0 0
1 136 GLU QB 58 no 100.0 95.3 0.804 0.844 0.040 6 1 no 0.188 0 0
1 136 GLU QG 165 no 13.3 100.0 0.001 0.001 0.000 1 0 no 0.001 0 0
1 137 LEU QB 34 no 100.0 100.0 0.128 0.128 0.000 8 5 no 0.000 0 0
1 137 LEU QD 3 no 100.0 99.9 6.232 6.239 0.007 16 9 no 0.107 0 0
1 138 LYS QB 51 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.086 0 0
1 138 LYS QD 111 no 66.7 95.2 0.051 0.054 0.003 3 0 no 0.124 0 0
1 138 LYS QE 155 no 100.0 100.0 1.490 1.490 0.000 2 2 no 0.029 0 0
1 138 LYS QG 164 no 80.0 99.7 0.827 0.830 0.003 1 0 no 0.092 0 0
1 139 GLU QB 64 no 100.0 97.4 0.658 0.675 0.017 5 0 no 0.167 0 0
1 139 GLU QG 90 no 100.0 99.7 2.668 2.676 0.007 4 0 no 0.086 0 0
1 140 LYS QB 89 no 53.3 100.0 0.034 0.034 0.000 4 0 no 0.000 0 0
1 140 LYS QG 163 no 80.0 100.0 0.230 0.230 0.000 1 0 no 0.000 0 0
1 141 PHE QB 76 no 100.0 100.0 0.247 0.247 0.000 5 1 no 0.000 0 0
1 141 PHE QD 98 no 100.0 99.7 7.670 7.696 0.025 4 1 no 0.212 0 0
1 141 PHE QE 110 no 100.0 99.5 0.958 0.963 0.005 3 0 no 0.093 0 0
1 144 PHE QB 35 no 100.0 50.0 0.000 0.000 0.000 7 0 no 0.029 0 0
1 144 PHE QD 103 no 100.0 100.0 15.732 15.733 0.002 4 2 no 0.095 0 0
1 145 SER QB 50 no 73.3 91.3 0.028 0.031 0.003 6 0 no 0.115 0 0
1 146 LYS QB 21 no 100.0 100.0 0.409 0.409 0.000 8 0 no 0.004 0 0
1 146 LYS QD 162 no 100.0 100.0 1.236 1.236 0.000 1 0 no 0.012 0 0
1 146 LYS QG 49 no 100.0 99.9 2.747 2.750 0.003 6 0 no 0.056 0 0
1 148 GLN QB 102 no 0.0 0.0 0.000 0.000 0.000 4 2 no 0.008 0 0
1 149 GLY QA 88 no 100.0 100.0 0.028 0.028 0.000 4 0 no 0.000 0 0
1 150 LEU QB 149 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 150 LEU QD 18 no 100.0 100.0 2.286 2.286 0.000 9 2 no 0.000 0 0
1 152 GLU QB 132 no 100.0 100.0 1.247 1.247 0.000 2 0 no 0.007 0 0
1 152 GLU QG 161 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 153 GLU QB 63 no 100.0 100.0 2.715 2.716 0.000 5 0 no 0.027 0 0
1 153 GLU QG 131 no 100.0 100.0 0.702 0.702 0.000 2 0 no 0.000 0 0
1 154 ASP QB 1 no 100.0 100.0 0.837 0.837 0.000 18 1 no 0.021 0 0
1 156 VAL QG 48 no 100.0 100.0 2.318 2.319 0.000 6 0 no 0.053 0 0
1 157 PHE QB 17 no 100.0 100.0 0.018 0.018 0.000 9 2 no 0.141 0 0
1 157 PHE QD 41 no 100.0 99.9 35.898 35.926 0.027 7 2 no 0.179 0 0
1 158 LEU QB 160 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 158 LEU QD 62 no 100.0 100.0 0.936 0.936 0.000 5 0 no 0.000 0 0
1 159 PRO QB 47 no 46.7 100.0 0.039 0.039 0.000 6 0 no 0.000 0 0
1 159 PRO QD 159 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 160 GLN QB 130 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 PRO QB 129 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 162 ASP QB 97 no 100.0 99.1 1.556 1.570 0.014 4 1 no 0.167 0 0
1 163 LYS QB 26 no 100.0 99.7 0.846 0.849 0.002 8 3 no 0.094 0 0
1 163 LYS QD 101 no 100.0 100.0 1.320 1.320 0.000 4 2 no 0.025 0 0
1 163 LYS QG 158 no 100.0 99.9 1.821 1.822 0.001 1 0 no 0.051 0 0
1 165 ILE QG 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.047 0 0
1 166 GLN QB 157 no 46.7 99.2 0.064 0.064 0.001 1 0 no 0.087 0 0
stop_
save_