NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
458310 |
2krf   |
16636 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2krf
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 180
_Stereo_assign_list.Swap_count 45
_Stereo_assign_list.Swap_percentage 25.0
_Stereo_assign_list.Deassign_count 3
_Stereo_assign_list.Deassign_percentage 1.7
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 21.864
_Stereo_assign_list.Total_e_high_states 502.254
_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 5 SER QB 176 no 90.0 96.9 0.007 0.007 0.000 3 3 no 0.233 0 0
1 6 SER QB 180 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 7 GLN QB 145 yes 100.0 99.3 1.414 1.424 0.009 8 6 no 0.172 0 0
1 8 LYS QB 81 yes 100.0 99.0 1.896 1.914 0.019 16 13 no 0.219 0 0
1 8 LYS QE 170 no 20.0 13.9 0.009 0.065 0.056 4 4 no 0.397 0 0
1 8 LYS QG 157 no 80.0 95.0 0.023 0.025 0.001 6 6 no 0.363 0 0
1 9 GLU QB 175 no 100.0 75.8 0.008 0.011 0.003 3 3 no 0.184 0 0
1 9 GLU QG 146 no 70.0 11.7 0.001 0.005 0.004 8 7 no 0.117 0 0
1 10 GLN QB 144 no 100.0 97.3 0.728 0.748 0.020 8 6 no 0.206 0 0
1 10 GLN QG 152 yes 90.0 86.7 0.115 0.133 0.018 7 7 no 0.373 0 0
1 11 ASP QB 164 no 20.0 49.1 0.055 0.113 0.057 5 5 no 0.388 0 0
1 12 VAL QG 18 no 100.0 94.9 9.906 10.442 0.536 27 21 no 0.215 0 0
1 13 LEU QB 47 yes 100.0 95.4 2.359 2.472 0.114 20 14 no 0.198 0 0
1 13 LEU QD 38 no 100.0 76.9 3.231 4.204 0.973 21 15 no 0.099 0 0
1 15 PRO QB 173 no 100.0 100.0 2.147 2.148 0.000 3 2 no 0.021 0 0
1 15 PRO QD 169 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 15 PRO QG 160 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0
1 16 ARG QB 42 yes 100.0 96.2 2.913 3.029 0.116 21 19 no 0.190 0 0
1 16 ARG QD 132 yes 80.0 61.1 0.134 0.219 0.085 10 9 no 0.252 0 0
1 16 ARG QG 131 yes 100.0 99.3 1.854 1.868 0.014 10 9 no 0.129 0 0
1 17 GLU QB 101 no 100.0 99.7 3.361 3.373 0.012 13 10 no 0.137 0 0
1 17 GLU QG 57 yes 100.0 92.8 0.505 0.544 0.039 19 18 no 0.158 0 0
1 18 CYS QB 22 yes 100.0 97.1 5.048 5.197 0.149 24 19 no 0.252 0 0
1 19 LEU QB 25 yes 100.0 99.0 0.788 0.796 0.008 24 22 no 0.124 0 0
1 19 LEU QD 33 no 100.0 97.4 0.318 0.327 0.008 22 17 no 0.124 0 0
1 20 ILE QG 108 no 100.0 100.0 1.750 1.750 0.000 12 9 no 0.000 0 0
1 21 LEU QB 88 no 100.0 99.4 0.033 0.033 0.000 15 14 no 0.246 0 0
1 21 LEU QD 9 no 100.0 78.2 5.808 7.422 1.615 37 25 no 0.150 0 0
1 22 GLN QB 154 yes 100.0 100.0 0.717 0.717 0.000 6 5 no 0.034 0 0
1 22 GLN QG 50 yes 100.0 95.9 2.460 2.565 0.105 20 16 no 0.388 0 0
1 23 GLU QB 73 no 100.0 67.3 0.104 0.154 0.050 17 12 no 0.181 0 0
1 23 GLU QG 71 yes 100.0 97.9 10.092 10.307 0.216 17 11 no 0.388 0 0
1 24 VAL QG 1 no 100.0 97.5 9.170 9.407 0.237 57 42 no 0.416 0 0
1 25 GLU QB 41 no 100.0 98.0 4.602 4.694 0.092 21 17 no 0.228 0 0
1 25 GLU QG 55 yes 100.0 98.9 6.735 6.812 0.077 19 14 no 0.177 0 0
1 26 LYS QB 64 yes 100.0 78.9 6.216 7.883 1.666 18 13 no 0.035 0 0
1 26 LYS QD 165 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 26 LYS QE 147 yes 100.0 99.9 5.184 5.190 0.006 7 5 no 0.135 0 0
1 27 GLY QA 80 yes 100.0 99.1 1.987 2.005 0.017 16 13 no 0.148 0 0
1 28 PHE QB 143 no 100.0 97.0 0.030 0.031 0.001 8 6 no 0.075 0 0
1 30 ASN QB 54 yes 100.0 90.3 3.852 4.264 0.412 19 14 no 0.416 0 0
1 31 GLN QB 115 yes 100.0 92.4 0.101 0.110 0.008 11 7 no 0.127 0 0
1 31 GLN QG 97 yes 100.0 98.9 2.275 2.301 0.026 13 9 no 0.194 0 0
1 32 GLU QB 37 yes 100.0 99.4 2.228 2.241 0.013 21 15 no 0.157 0 0
1 32 GLU QG 70 yes 100.0 99.2 6.208 6.255 0.047 17 11 no 0.194 0 0
1 33 ILE QG 19 no 100.0 99.7 1.144 1.148 0.004 25 19 no 0.070 0 0
1 35 ASP QB 93 yes 100.0 98.3 0.901 0.917 0.016 14 11 no 0.119 0 0
1 37 LEU QB 122 no 100.0 94.7 0.022 0.023 0.001 11 9 no 0.165 0 0
1 37 LEU QD 13 no 100.0 95.1 12.293 12.926 0.633 31 23 no 0.265 0 0
1 38 HIS QB 151 no 80.0 23.6 0.009 0.037 0.028 7 7 no 0.372 0 0
1 39 LEU QB 40 yes 100.0 98.4 4.559 4.634 0.074 21 16 no 0.246 0 0
1 39 LEU QD 103 no 100.0 100.0 8.436 8.436 0.000 12 7 no 0.000 0 0
1 40 SER QB 114 no 70.0 58.5 0.355 0.607 0.252 11 7 yes 1.041 2 7
1 41 LYS QB 46 no 100.0 95.0 0.651 0.685 0.034 20 14 no 0.373 0 0
1 41 LYS QD 85 yes 100.0 99.6 1.859 1.866 0.007 15 11 no 0.121 0 0
1 41 LYS QE 105 no 100.0 99.6 3.553 3.568 0.015 12 8 no 0.169 0 0
1 41 LYS QG 111 no 100.0 30.5 0.015 0.050 0.035 12 10 no 0.246 0 0
1 42 ARG QB 61 yes 100.0 99.9 2.931 2.935 0.004 18 12 no 0.077 0 0
1 42 ARG QD 150 yes 100.0 98.3 2.548 2.591 0.043 7 6 no 0.252 0 0
1 42 ARG QG 121 no 100.0 71.5 0.085 0.119 0.034 11 9 no 0.246 0 0
1 44 ILE QG 17 yes 100.0 99.2 5.885 5.932 0.046 27 20 no 0.214 0 0
1 45 GLU QB 95 yes 100.0 100.0 2.807 2.807 0.000 13 8 no 0.024 0 0
1 45 GLU QG 119 no 100.0 97.4 0.703 0.722 0.019 11 8 no 0.228 0 0
1 46 TYR QB 94 yes 100.0 82.3 0.186 0.226 0.040 14 12 no 0.154 0 0
1 48 LEU QB 92 no 100.0 99.9 3.389 3.394 0.005 14 10 no 0.112 0 0
1 48 LEU QD 2 no 100.0 90.4 21.015 23.257 2.242 56 34 no 0.127 0 0
1 51 ILE QG 67 no 100.0 0.0 0.000 0.000 0.000 18 17 no 0.000 0 0
1 52 PHE QB 82 no 80.0 23.8 0.081 0.341 0.260 15 9 yes 0.676 0 8
1 53 ASN QB 167 yes 90.0 99.9 0.286 0.286 0.000 4 3 no 0.045 0 0
1 54 LYS QB 60 yes 100.0 100.0 3.935 3.936 0.001 18 12 no 0.057 0 0
1 54 LYS QE 91 no 100.0 97.6 5.111 5.238 0.127 14 9 no 0.465 0 0
1 55 LEU QB 51 yes 100.0 99.3 1.087 1.095 0.008 20 17 no 0.094 0 0
1 55 LEU QD 65 no 100.0 99.0 0.485 0.490 0.005 18 15 no 0.089 0 0
1 57 VAL QG 3 no 100.0 96.4 22.113 22.931 0.818 56 37 no 0.498 0 0
1 58 GLY QA 87 no 100.0 0.0 0.000 0.000 0.000 15 12 no 0.000 0 0
1 60 ARG QB 15 yes 100.0 95.3 4.327 4.541 0.214 29 23 no 0.198 0 0
1 60 ARG QD 102 yes 100.0 100.0 0.156 0.156 0.000 13 13 no 0.000 0 0
1 62 GLU QB 45 no 100.0 99.5 3.111 3.126 0.014 20 14 no 0.112 0 0
1 62 GLU QG 58 yes 100.0 99.5 3.341 3.357 0.015 18 11 no 0.098 0 0
1 64 VAL QG 4 no 100.0 99.1 2.535 2.557 0.023 52 39 no 0.146 0 0
1 65 LEU QB 86 yes 100.0 99.7 2.149 2.155 0.006 15 12 no 0.124 0 0
1 65 LEU QD 11 no 100.0 96.2 3.468 3.606 0.138 34 26 no 0.261 0 0
1 66 ILE QG 32 no 100.0 99.2 2.718 2.739 0.021 22 17 no 0.136 0 0
1 68 LYS QB 31 yes 100.0 97.8 4.967 5.080 0.112 22 17 no 0.305 0 0
1 68 LYS QD 135 yes 100.0 97.9 1.783 1.821 0.038 9 7 no 0.290 0 0
1 68 LYS QE 142 no 100.0 100.0 1.252 1.252 0.000 8 6 no 0.018 0 0
1 68 LYS QG 129 yes 100.0 100.0 1.476 1.477 0.001 10 8 no 0.044 0 0
1 70 ASP QB 118 yes 100.0 99.5 5.192 5.218 0.026 11 8 no 0.245 0 0
1 71 GLY QA 163 no 100.0 100.0 0.016 0.016 0.000 5 5 no 0.136 0 0
1 72 VAL QG 12 no 100.0 88.6 17.637 19.901 2.264 32 21 no 0.154 0 0
2 5 SER QB 179 no 90.0 83.2 0.006 0.007 0.001 2 2 no 0.233 0 0
2 6 SER QB 178 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 7 GLN QB 149 no 100.0 99.2 1.510 1.523 0.013 7 6 no 0.252 0 0
2 8 LYS QB 89 no 100.0 99.5 1.874 1.883 0.009 14 8 no 0.197 0 0
2 8 LYS QE 168 no 60.0 7.0 0.005 0.070 0.065 4 4 no 0.397 0 0
2 8 LYS QG 156 no 90.0 61.4 0.015 0.025 0.009 6 6 no 0.363 0 0
2 9 GLU QB 174 no 90.0 81.5 0.001 0.001 0.000 3 3 no 0.077 0 0
2 9 GLU QG 153 no 70.0 52.7 0.003 0.006 0.003 6 5 no 0.094 0 0
2 10 GLN QB 139 no 100.0 96.5 0.663 0.687 0.024 8 5 no 0.150 0 0
2 10 GLN QG 138 no 60.0 9.3 0.020 0.210 0.190 9 9 no 0.397 0 0
2 11 ASP QB 162 yes 90.0 68.2 0.123 0.181 0.057 5 5 no 0.388 0 0
2 12 VAL QG 30 no 100.0 99.4 5.268 5.301 0.033 22 16 no 0.218 0 0
2 13 LEU QB 59 no 100.0 95.0 2.302 2.424 0.122 18 12 no 0.236 0 0
2 13 LEU QD 69 no 100.0 100.0 1.513 1.513 0.000 17 11 no 0.000 0 0
2 15 PRO QB 171 yes 100.0 100.0 2.152 2.153 0.001 3 1 no 0.097 0 0
2 15 PRO QD 161 no 100.0 8.3 0.003 0.035 0.032 5 5 no 0.252 0 0
2 15 PRO QG 159 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0
2 16 ARG QB 66 no 100.0 96.6 3.021 3.127 0.106 18 16 no 0.175 0 0
2 16 ARG QD 137 no 80.0 10.1 0.009 0.085 0.077 9 8 no 0.252 0 0
2 16 ARG QG 136 no 100.0 98.4 1.470 1.494 0.024 9 8 no 0.191 0 0
2 17 GLU QB 100 no 100.0 99.7 3.335 3.344 0.009 13 10 no 0.106 0 0
2 17 GLU QG 75 no 100.0 90.2 0.169 0.187 0.018 17 16 no 0.095 0 0
2 18 CYS QB 24 no 100.0 100.0 2.993 2.993 0.000 24 20 no 0.000 0 0
2 19 LEU QB 56 no 100.0 100.0 0.793 0.793 0.000 19 17 no 0.011 0 0
2 19 LEU QD 90 no 100.0 100.0 0.303 0.303 0.000 14 9 no 0.000 0 0
2 20 ILE QG 99 no 100.0 100.0 1.678 1.678 0.000 13 10 no 0.000 0 0
2 21 LEU QB 130 no 100.0 99.7 0.033 0.033 0.000 10 9 no 0.246 0 0
2 21 LEU QD 10 no 100.0 98.7 2.089 2.116 0.027 34 22 no 0.145 0 0
2 22 GLN QB 166 no 100.0 100.0 0.000 0.000 0.000 4 3 no 0.034 0 0
2 22 GLN QG 74 no 100.0 91.5 1.834 2.003 0.170 17 13 no 0.388 0 0
2 23 GLU QB 53 no 100.0 73.1 0.169 0.232 0.062 19 13 no 0.181 0 0
2 23 GLU QG 68 no 100.0 90.2 8.400 9.315 0.915 17 11 no 0.388 0 0
2 24 VAL QG 5 no 100.0 100.0 9.033 9.036 0.002 50 34 no 0.088 0 0
2 25 GLU QB 21 no 100.0 98.0 4.597 4.692 0.094 24 19 no 0.236 0 0
2 25 GLU QG 49 no 100.0 95.0 6.275 6.604 0.329 20 16 no 0.212 0 0
2 26 LYS QB 63 no 100.0 98.4 2.268 2.306 0.038 18 13 no 0.060 0 0
2 26 LYS QD 172 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
2 26 LYS QE 141 no 100.0 93.6 4.429 4.732 0.303 8 6 no 0.092 0 0
2 27 GLY QA 79 no 100.0 79.9 1.005 1.258 0.252 16 13 no 0.148 0 0
2 28 PHE QB 140 no 100.0 97.0 0.030 0.031 0.001 8 6 no 0.075 0 0
2 30 ASN QB 28 no 100.0 71.1 2.439 3.431 0.992 23 18 no 0.416 0 0
2 31 GLN QB 113 no 100.0 96.9 1.152 1.189 0.037 11 7 no 0.127 0 0
2 31 GLN QG 126 no 100.0 99.8 2.074 2.078 0.004 10 6 no 0.072 0 0
2 32 GLU QB 62 no 100.0 99.2 1.693 1.707 0.014 18 13 no 0.157 0 0
2 32 GLU QG 36 no 100.0 97.2 4.114 4.233 0.119 21 15 no 0.194 0 0
2 33 ILE QG 23 no 100.0 100.0 1.125 1.125 0.000 24 20 no 0.034 0 0
2 35 ASP QB 117 no 100.0 98.7 1.001 1.015 0.013 11 8 no 0.161 0 0
2 37 LEU QB 98 no 100.0 94.2 0.023 0.025 0.001 13 10 no 0.067 0 0
2 37 LEU QD 16 no 100.0 99.5 7.292 7.329 0.036 28 18 no 0.218 0 0
2 38 HIS QB 155 no 30.0 11.6 0.003 0.028 0.025 6 6 no 0.372 0 0
2 39 LEU QB 78 no 100.0 98.4 3.380 3.434 0.053 16 13 no 0.246 0 0
2 39 LEU QD 125 no 100.0 100.0 8.801 8.801 0.000 10 5 no 0.007 0 0
2 40 SER QB 107 no 100.0 95.2 0.839 0.881 0.042 12 9 no 0.176 0 0
2 41 LYS QB 35 no 100.0 80.7 0.968 1.199 0.231 21 15 no 0.157 0 0
2 41 LYS QD 76 no 100.0 99.1 1.843 1.859 0.016 16 10 no 0.112 0 0
2 41 LYS QE 104 no 100.0 99.6 3.615 3.631 0.016 12 8 no 0.158 0 0
2 41 LYS QG 110 no 100.0 36.0 0.019 0.054 0.035 12 10 no 0.246 0 0
2 42 ARG QB 84 no 100.0 99.9 2.990 2.993 0.003 15 10 no 0.072 0 0
2 42 ARG QD 148 no 100.0 94.6 2.153 2.277 0.123 7 6 no 0.252 0 0
2 42 ARG QG 120 no 100.0 75.9 0.107 0.141 0.034 11 9 no 0.246 0 0
2 44 ILE QG 14 no 100.0 76.6 2.736 3.572 0.836 29 21 no 0.214 0 0
2 45 GLU QB 112 no 100.0 100.0 1.891 1.892 0.000 11 6 no 0.038 0 0
2 45 GLU QG 106 no 100.0 97.2 0.664 0.683 0.019 12 9 no 0.160 0 0
2 46 TYR QB 109 no 100.0 90.5 0.186 0.205 0.020 12 10 no 0.154 0 0
2 48 LEU QB 96 no 100.0 99.9 3.415 3.420 0.005 13 9 no 0.112 0 0
2 48 LEU QD 8 no 100.0 99.9 15.059 15.076 0.017 45 24 no 0.124 0 0
2 51 ILE QG 43 yes 100.0 100.0 0.158 0.158 0.000 21 20 no 0.000 0 0
2 52 PHE QB 72 yes 100.0 69.1 0.711 1.028 0.318 17 12 yes 0.596 0 5
2 53 ASN QB 177 no 10.0 99.8 0.080 0.080 0.000 2 1 no 0.043 0 0
2 54 LYS QB 34 no 100.0 100.0 5.452 5.453 0.001 21 15 no 0.043 0 0
2 54 LYS QE 83 no 100.0 97.8 5.698 5.828 0.130 15 10 no 0.465 0 0
2 55 LEU QB 48 no 100.0 99.9 1.035 1.036 0.001 20 16 no 0.044 0 0
2 55 LEU QD 116 no 100.0 99.3 0.538 0.542 0.004 11 8 no 0.091 0 0
2 57 VAL QG 6 no 100.0 98.8 19.124 19.350 0.226 47 28 no 0.498 0 0
2 58 GLY QA 77 no 100.0 0.0 0.000 0.000 0.000 16 13 no 0.000 0 0
2 60 ARG QB 29 no 100.0 94.2 3.198 3.394 0.197 23 19 no 0.198 0 0
2 60 ARG QD 124 no 20.0 100.0 0.040 0.040 0.000 11 11 no 0.000 0 0
2 62 GLU QB 52 no 100.0 99.6 3.051 3.063 0.012 19 13 no 0.099 0 0
2 62 GLU QG 44 no 100.0 85.2 2.750 3.227 0.477 20 13 no 0.373 0 0
2 64 VAL QG 7 no 100.0 99.2 2.192 2.211 0.019 47 32 no 0.147 0 0
2 65 LEU QB 128 no 100.0 99.7 2.143 2.148 0.006 10 8 no 0.124 0 0
2 65 LEU QD 20 no 100.0 99.1 3.049 3.075 0.026 24 16 no 0.147 0 0
2 66 ILE QG 39 no 100.0 99.3 2.695 2.715 0.020 21 16 no 0.136 0 0
2 68 LYS QB 27 no 100.0 97.5 5.058 5.188 0.131 23 18 no 0.355 0 0
2 68 LYS QD 134 no 100.0 97.7 1.782 1.824 0.042 9 7 no 0.269 0 0
2 68 LYS QE 133 no 100.0 100.0 1.249 1.249 0.000 9 7 no 0.018 0 0
2 68 LYS QG 123 no 100.0 94.9 1.346 1.419 0.072 11 10 no 0.044 0 0
2 70 ASP QB 127 no 100.0 98.9 2.396 2.423 0.026 10 7 no 0.245 0 0
2 71 GLY QA 158 no 100.0 100.0 0.016 0.016 0.000 5 4 no 0.136 0 0
2 72 VAL QG 26 no 100.0 99.8 10.706 10.729 0.023 23 11 no 0.150 0 0
stop_
save_
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