Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412909 | 2bw2 RC | 6731 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2bw2
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 190
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.5
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 25
_Stereo_assign_list.Total_e_low_states 1.698
_Stereo_assign_list.Total_e_high_states 179.621
_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 GLU QG 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 3 VAL QG 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 GLU QG 147 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.178 0 0
1 5 HIS QB 146 no 100.0 0.0 0.000 0.007 0.007 4 0 no 0.191 0 0
1 6 TYR QB 188 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.100 0 0
1 8 PRO QB 53 no 100.0 99.8 0.739 0.741 0.001 11 2 no 0.058 0 0
1 9 LEU QB 16 no 100.0 99.2 1.242 1.252 0.011 19 4 no 0.164 0 0
1 9 LEU QD 65 no 100.0 0.0 0.000 0.001 0.001 10 6 no 0.063 0 0
1 10 GLN QB 82 no 100.0 99.7 1.864 1.871 0.006 8 3 no 0.098 0 0
1 10 GLN QE 90 no 100.0 99.9 2.937 2.938 0.001 8 7 no 0.072 0 0
1 10 GLN QG 35 no 100.0 99.9 2.511 2.513 0.002 14 7 no 0.084 0 0
1 11 VAL QG 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 HIS QB 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 13 VAL QG 32 no 100.0 0.0 0.000 0.003 0.003 14 4 no 0.123 0 0
1 14 GLN QE 119 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 15 LEU QB 31 no 100.0 100.0 4.843 4.844 0.001 14 4 no 0.068 0 0
1 15 LEU QD 33 no 100.0 0.0 0.000 0.006 0.006 14 6 no 0.154 0 0
1 16 GLU QG 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.047 0 0
1 17 LYS QB 59 no 100.0 100.0 0.997 0.997 0.000 10 2 no 0.000 0 0
1 17 LYS QE 145 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.100 0 0
1 17 LYS QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 VAL QG 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 19 TYR QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 LEU QD 110 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.037 0 0
1 21 ASP QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 GLY QA 89 no 100.0 0.0 0.000 0.002 0.002 8 6 no 0.095 0 0
1 23 ASP QB 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.005 0 0
1 24 VAL QG 76 no 100.0 0.0 0.000 0.009 0.009 8 0 no 0.168 0 0
1 25 SER QB 79 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.063 0 0
1 26 ILE QG 185 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.027 0 0
1 27 GLU QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.031 0 0
1 27 GLU QG 108 no 100.0 0.0 0.000 0.009 0.009 6 0 no 0.173 0 0
1 28 HIS QB 140 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.061 0 0
1 29 LYS QB 118 no 100.0 0.0 0.000 0.003 0.003 6 4 no 0.123 0 0
1 29 LYS QE 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 29 LYS QG 58 no 100.0 99.7 0.847 0.850 0.002 10 2 no 0.099 0 0
1 30 HIS QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.049 0 0
1 31 GLU QB 93 no 100.0 98.8 1.501 1.519 0.018 7 0 no 0.175 0 0
1 31 GLU QG 36 no 100.0 99.9 0.824 0.824 0.001 13 0 no 0.040 0 0
1 32 LYS QB 52 no 100.0 99.9 1.451 1.453 0.002 11 2 no 0.074 0 0
1 32 LYS QG 47 no 100.0 99.4 0.706 0.710 0.004 12 7 no 0.098 0 0
1 33 VAL QG 8 no 96.0 0.0 0.000 0.020 0.020 22 6 no 0.176 0 0
1 34 PHE QB 75 no 100.0 99.8 1.029 1.031 0.002 8 0 no 0.056 0 0
1 35 SER QB 113 no 0.0 0.0 0.000 0.003 0.003 6 2 no 0.141 0 0
1 36 MET QB 139 no 100.0 100.0 0.301 0.301 0.000 4 0 no 0.000 0 0
1 36 MET QG 38 no 100.0 99.9 4.811 4.817 0.007 13 2 no 0.121 0 0
1 37 ASP QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 ASP QB 51 no 100.0 99.6 0.655 0.658 0.003 11 2 no 0.081 0 0
1 39 PHE QB 28 no 100.0 99.9 1.525 1.526 0.001 14 2 no 0.083 0 0
1 40 TRP QB 92 no 100.0 100.0 1.942 1.942 0.001 7 0 no 0.042 0 0
1 43 TYR QB 107 no 100.0 99.8 1.014 1.016 0.002 6 0 no 0.075 0 0
1 45 GLY QA 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 TRP QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 48 LEU QB 88 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 48 LEU QD 3 no 88.0 0.0 0.000 0.007 0.007 28 14 no 0.141 0 0
1 49 VAL QG 106 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.021 0 0
1 50 GLU QB 50 no 100.0 99.8 3.687 3.692 0.006 11 2 no 0.103 0 0
1 50 GLU QG 29 no 100.0 100.0 4.769 4.769 0.000 14 3 no 0.047 0 0
1 51 GLN QB 30 no 100.0 99.9 3.224 3.226 0.003 14 4 no 0.072 0 0
1 51 GLN QE 7 no 100.0 99.4 6.750 6.792 0.042 23 12 no 0.216 0 0
1 51 GLN QG 10 no 100.0 99.8 0.832 0.834 0.002 22 10 no 0.113 0 0
1 52 LYS QB 117 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.059 0 0
1 52 LYS QD 138 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.082 0 0
1 52 LYS QE 87 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.087 0 0
1 52 LYS QG 26 no 100.0 99.8 5.178 5.190 0.012 14 1 no 0.215 0 0
1 53 LYS QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 LYS QD 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 LYS QE 152 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.045 0 0
1 53 LYS QG 137 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.173 0 0
1 55 TYR QB 91 no 100.0 99.8 0.486 0.487 0.001 7 0 no 0.059 0 0
1 56 VAL QG 5 no 100.0 0.0 0.000 0.004 0.004 24 8 no 0.113 0 0
1 57 LEU QB 13 no 100.0 100.0 4.930 4.931 0.001 21 8 no 0.058 0 0
1 57 LEU QD 18 no 100.0 0.0 0.000 0.062 0.062 18 8 no 0.322 0 0
1 58 PHE QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 ARG QB 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.032 0 0
1 59 ARG QD 45 no 100.0 99.4 0.791 0.796 0.005 12 4 no 0.110 0 0
1 60 LYS QB 25 no 100.0 99.8 5.676 5.688 0.012 15 7 no 0.134 0 0
1 60 LYS QD 54 no 100.0 99.7 1.740 1.745 0.005 11 3 no 0.125 0 0
1 60 LYS QE 6 no 100.0 99.5 5.014 5.038 0.024 23 6 no 0.187 0 0
1 60 LYS QG 78 no 100.0 100.0 3.501 3.501 0.000 8 2 no 0.041 0 0
1 61 GLN QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 GLN QE 19 no 100.0 99.6 2.148 2.156 0.008 16 4 no 0.162 0 0
1 61 GLN QG 136 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.158 0 0
1 64 ASP QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 ILE QG 174 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.143 0 0
1 66 SER QB 151 no 0.0 0.0 0.000 0.002 0.002 4 4 no 0.093 0 0
1 67 PRO QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 67 PRO QD 116 no 100.0 0.0 0.000 0.002 0.002 6 4 no 0.093 0 0
1 67 PRO QG 149 no 100.0 100.0 1.281 1.281 0.000 4 1 no 0.040 0 0
1 68 LEU QB 86 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 68 LEU QD 15 no 100.0 99.6 2.954 2.966 0.011 20 6 no 0.127 0 0
1 70 LYS QB 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 LYS QD 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 LYS QE 171 no 0.0 0.0 0.000 0.003 0.003 2 0 no 0.096 0 0
1 71 VAL QG 24 no 100.0 99.8 5.876 5.888 0.012 15 3 no 0.128 0 0
1 72 ASN QB 150 no 100.0 0.0 0.000 0.002 0.002 4 2 no 0.128 0 0
1 74 TYR QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 ILE QG 42 no 100.0 99.6 2.870 2.881 0.011 12 0 no 0.197 0 0
1 77 VAL QG 20 no 100.0 0.0 0.000 0.575 0.575 16 6 no 0.097 0 0
1 78 SER QB 134 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.106 0 0
1 79 ASP QB 133 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.110 0 0
1 80 ASN QB 22 no 100.0 99.9 2.582 2.583 0.002 16 7 no 0.072 0 0
1 80 ASN QD 66 no 100.0 99.9 3.456 3.460 0.004 9 3 no 0.133 0 0
1 81 GLY QA 63 yes 100.0 100.0 1.108 1.108 0.000 10 4 no 0.019 0 0
1 82 VAL QG 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.021 0 0
1 86 PHE QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 HIS QB 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 88 GLY QA 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 ARG QB 56 no 100.0 99.4 0.819 0.824 0.005 11 5 no 0.107 0 0
1 89 ARG QD 64 no 100.0 0.0 0.000 0.007 0.007 10 6 no 0.125 0 0
1 89 ARG QG 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 PRO QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 90 PRO QD 94 no 100.0 99.6 1.305 1.310 0.005 7 3 no 0.120 0 0
1 90 PRO QG 166 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.053 0 0
1 91 GLU QB 81 no 100.0 100.0 0.464 0.464 0.000 8 3 no 0.031 0 0
1 91 GLU QG 57 no 100.0 100.0 4.211 4.211 0.001 10 2 no 0.063 0 0
1 92 PRO QB 131 no 100.0 99.9 2.052 2.054 0.002 4 0 no 0.083 0 0
1 92 PRO QD 80 no 100.0 99.8 3.970 3.976 0.007 8 3 no 0.136 0 0
1 92 PRO QG 165 no 100.0 100.0 2.328 2.328 0.000 2 0 no 0.027 0 0
1 94 SER QB 74 no 0.0 0.0 0.000 0.003 0.003 8 0 no 0.115 0 0
1 95 GLU QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 95 GLU QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.027 0 0
1 96 PRO QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 PRO QD 130 no 100.0 99.8 0.414 0.415 0.001 4 0 no 0.076 0 0
1 96 PRO QG 161 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.070 0 0
1 97 ILE QG 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 98 GLN QB 85 no 100.0 100.0 0.544 0.544 0.000 8 4 no 0.023 0 0
1 98 GLN QE 21 no 100.0 99.4 3.989 4.013 0.024 16 7 no 0.190 0 0
1 98 GLN QG 37 no 100.0 100.0 1.813 1.813 0.001 13 1 no 0.036 0 0
1 99 SER QB 128 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.052 0 0
1 100 PHE QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 102 GLN QB 115 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.067 0 0
1 102 GLN QE 48 no 100.0 99.5 0.213 0.215 0.001 12 8 no 0.067 0 0
1 102 GLN QG 160 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.083 0 0
1 103 ILE QG 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
1 104 ASP QB 14 no 100.0 99.6 3.838 3.852 0.014 20 6 no 0.168 0 0
1 105 LEU QB 23 no 100.0 100.0 2.125 2.126 0.001 16 9 no 0.042 0 0
1 105 LEU QD 1 no 100.0 96.5 11.745 12.167 0.422 36 17 no 0.293 0 0
1 106 GLU QB 148 no 100.0 100.0 1.918 1.919 0.000 4 1 no 0.071 0 0
1 106 GLU QG 73 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.064 0 0
1 107 ARG QB 43 no 100.0 99.9 3.684 3.687 0.003 12 3 no 0.080 0 0
1 107 ARG QD 34 no 100.0 99.8 1.141 1.143 0.002 14 7 no 0.099 0 0
1 107 ARG QG 17 no 100.0 99.6 1.466 1.472 0.006 18 6 no 0.128 0 0
1 108 LEU QB 9 no 100.0 100.0 4.076 4.078 0.001 22 10 no 0.090 0 0
1 108 LEU QD 2 no 96.0 0.0 0.000 0.015 0.015 30 12 no 0.168 0 0
1 109 GLU QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 109 GLU QG 72 no 100.0 0.0 0.000 0.008 0.008 8 0 no 0.178 0 0
1 111 HIS QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 112 MET QB 102 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 112 MET QG 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 113 GLN QB 84 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.066 0 0
1 113 GLN QE 11 no 100.0 99.9 4.813 4.818 0.005 22 14 no 0.140 0 0
1 113 GLN QG 4 no 100.0 98.6 5.611 5.693 0.082 27 15 no 0.293 0 0
1 114 LYS QB 55 no 100.0 100.0 0.647 0.647 0.000 11 4 no 0.005 0 0
1 114 LYS QD 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 114 LYS QE 62 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.055 0 0
1 114 LYS QG 101 no 0.0 0.0 0.000 0.006 0.006 6 0 no 0.207 0 0
1 115 ASN QB 100 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.189 0 0
1 116 LEU QB 12 no 100.0 99.9 2.844 2.846 0.002 21 8 no 0.094 0 0
1 116 LEU QD 44 no 0.0 0.0 0.000 0.000 0.000 12 4 no 0.055 0 0
1 117 LEU QB 83 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.025 0 0
1 117 LEU QD 46 no 0.0 0.0 0.000 0.007 0.007 12 6 no 0.142 0 0
1 118 LYS QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 118 LYS QD 99 no 0.0 0.0 0.000 0.003 0.003 6 0 no 0.158 0 0
1 118 LYS QE 123 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.105 0 0
1 118 LYS QG 114 no 96.0 0.0 0.000 0.006 0.006 6 4 no 0.125 0 0
1 121 PRO QB 153 no 100.0 99.9 0.124 0.124 0.000 3 0 no 0.048 0 0
1 121 PRO QD 156 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.132 0 0
1 121 PRO QG 122 no 100.0 99.6 0.813 0.816 0.003 4 0 no 0.157 0 0
1 122 PHE QB 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.031 0 0
1 125 LYS QB 98 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.117 0 0
1 125 LYS QD 120 no 100.0 0.0 0.000 0.013 0.013 4 0 no 0.316 0 0
1 125 LYS QE 71 no 0.0 0.0 0.000 0.001 0.001 8 0 no 0.111 0 0
1 127 GLU QG 70 no 100.0 0.0 0.000 0.015 0.015 8 0 no 0.204 0 0
1 128 PHE QB 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 129 GLU QB 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.039 0 0
1 129 GLU QG 41 no 100.0 0.0 0.000 0.006 0.006 12 0 no 0.123 0 0
1 130 ASP QB 77 no 100.0 0.0 0.000 0.006 0.006 8 2 no 0.111 0 0
1 131 VAL QG 40 no 4.0 0.0 0.000 0.005 0.005 12 0 no 0.104 0 0
1 132 ILE QG 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 133 GLU QB 49 no 100.0 99.8 2.319 2.323 0.004 11 1 no 0.107 0 0
1 133 GLU QG 39 no 100.0 100.0 5.377 5.379 0.002 13 3 no 0.073 0 0
1 134 HIS QB 27 no 100.0 99.9 2.669 2.671 0.002 14 2 no 0.107 0 0
1 135 MET QG 69 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.019 0 0
1 136 LYS QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 136 LYS QD 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
1 136 LYS QE 61 no 100.0 0.0 0.000 0.003 0.003 10 4 no 0.080 0 0
1 136 LYS QG 60 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 138 TYR QB 68 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.025 0 0
1 139 SER QB 67 no 0.0 0.0 0.000 0.004 0.004 8 0 no 0.125 0 0
stop_
save_