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 |
|
|
552855 |
2lxb   |
18670 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lxb
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 180
_Stereo_assign_list.Swap_count 50
_Stereo_assign_list.Swap_percentage 27.8
_Stereo_assign_list.Deassign_count 22
_Stereo_assign_list.Deassign_percentage 12.2
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 15.949
_Stereo_assign_list.Total_e_high_states 245.399
_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 VAL QG 156 no 90.0 99.4 0.697 0.701 0.004 5 1 no 0.150 0 0
1 3 ASP QB 140 no 30.0 92.8 0.028 0.030 0.002 6 0 no 0.142 0 0
1 4 SER QB 114 no 60.0 55.8 0.043 0.077 0.034 9 1 no 0.484 0 0
1 6 SER QB 76 no 70.0 23.8 0.016 0.069 0.052 12 2 no 0.390 0 0
1 7 LYS QB 98 no 100.0 0.0 0.000 0.000 0.000 10 1 no 0.000 0 0
1 7 LYS QD 86 yes 100.0 99.4 0.137 0.137 0.001 12 8 no 0.047 0 0
1 7 LYS QE 24 no 70.0 74.9 0.793 1.058 0.265 25 11 no 0.800 0 2
1 7 LYS QG 66 yes 100.0 99.2 0.165 0.166 0.001 13 5 no 0.063 0 0
1 8 GLU QB 34 no 90.0 50.7 0.015 0.030 0.015 19 11 no 0.157 0 0
1 8 GLU QG 32 yes 90.0 77.5 0.506 0.653 0.147 20 10 no 0.783 0 3
1 9 GLU QB 48 yes 100.0 100.0 0.221 0.221 0.000 16 6 no 0.026 0 0
1 9 GLU QG 54 yes 100.0 99.9 0.845 0.847 0.001 15 4 no 0.092 0 0
1 10 ILE QG 90 no 50.0 29.7 0.167 0.562 0.395 11 1 yes 1.009 1 5
1 13 LEU QB 180 no 70.0 45.6 0.012 0.025 0.014 1 1 no 0.216 0 0
1 13 LEU QD 106 no 100.0 100.0 1.447 1.447 0.000 10 5 no 0.039 0 0
1 14 ILE QG 100 no 100.0 100.0 0.030 0.030 0.000 10 3 no 0.216 0 0
1 15 VAL QG 4 no 100.0 83.3 10.966 13.163 2.197 50 17 yes 1.409 3 4
1 16 ASN QB 170 no 100.0 99.9 0.047 0.047 0.000 3 0 no 0.237 0 0
1 16 ASN QD 28 no 60.0 41.1 0.040 0.097 0.057 24 13 no 0.184 0 0
1 17 TYR QB 94 yes 100.0 100.0 0.517 0.517 0.000 10 0 no 0.017 0 0
1 18 PHE QB 12 yes 100.0 47.9 0.108 0.226 0.118 35 15 no 0.074 0 0
1 19 SER QB 130 no 80.0 59.0 0.075 0.127 0.052 7 1 no 0.539 0 1
1 20 SER QB 92 no 100.0 90.4 0.020 0.022 0.002 11 3 no 0.343 0 0
1 21 ILE QG 22 yes 100.0 100.0 0.567 0.567 0.000 25 7 no 0.000 0 0
1 22 VAL QG 6 no 100.0 100.0 23.222 23.223 0.001 43 23 no 0.040 0 0
1 23 GLU QB 97 no 40.0 100.0 0.382 0.382 0.000 10 1 no 0.023 0 0
1 23 GLU QG 129 no 70.0 72.0 0.008 0.011 0.003 7 1 no 0.286 0 0
1 24 LYS QB 78 yes 100.0 96.7 0.444 0.459 0.015 12 5 no 0.281 0 0
1 24 LYS QD 179 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 24 LYS QE 105 no 70.0 14.7 0.095 0.649 0.553 10 5 yes 1.446 2 3
1 24 LYS QG 82 no 100.0 96.0 0.460 0.479 0.019 12 7 no 0.439 0 0
1 25 LYS QB 110 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 25 LYS QD 168 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 25 LYS QE 172 no 20.0 5.1 0.004 0.071 0.067 3 2 no 0.588 0 2
1 25 LYS QG 136 no 90.0 22.4 0.021 0.095 0.073 7 5 no 0.588 0 2
1 26 GLU QB 56 yes 100.0 99.7 1.746 1.751 0.005 15 5 no 0.218 0 0
1 26 GLU QG 148 no 60.0 50.7 0.255 0.503 0.248 6 3 yes 0.825 0 8
1 27 ILE QG 14 yes 100.0 86.0 3.279 3.811 0.532 28 10 no 0.000 0 0
1 28 SER QB 126 no 80.0 72.1 0.100 0.139 0.039 7 0 no 0.417 0 0
1 29 GLU QB 118 no 100.0 100.0 0.000 0.000 0.000 8 2 no 0.010 0 0
1 29 GLU QG 155 no 40.0 7.7 0.023 0.292 0.270 5 1 yes 0.811 0 5
1 30 ASP QB 89 no 40.0 15.4 0.002 0.014 0.012 11 1 no 0.338 0 0
1 31 GLY QA 16 yes 100.0 100.0 0.724 0.724 0.000 27 8 no 0.000 0 0
1 33 ASP QB 42 yes 90.0 65.8 0.319 0.485 0.166 17 3 yes 1.035 1 2
1 34 SER QB 68 no 40.0 22.7 0.058 0.255 0.197 13 6 no 0.575 0 6
1 35 LEU QB 30 yes 100.0 100.0 0.924 0.924 0.000 23 10 no 0.000 0 0
1 35 LEU QD 2 no 100.0 100.0 12.559 12.565 0.005 107 32 no 0.053 0 0
1 36 ASN QB 102 no 100.0 100.0 1.840 1.840 0.000 10 4 no 0.000 0 0
1 36 ASN QD 46 no 100.0 100.0 0.333 0.333 0.000 17 7 no 0.000 0 0
1 37 VAL QG 18 no 100.0 98.7 7.418 7.518 0.100 27 10 no 0.548 0 2
1 39 MET QB 36 no 90.0 90.7 0.118 0.130 0.012 18 7 no 0.124 0 0
1 39 MET QG 20 yes 100.0 100.0 2.376 2.376 0.000 26 11 no 0.023 0 0
1 40 ASP QB 125 no 20.0 100.0 0.040 0.040 0.000 7 0 no 0.011 0 0
1 41 CYS QB 38 yes 100.0 100.0 0.230 0.230 0.000 17 1 no 0.000 0 0
1 42 ILE QG 40 yes 100.0 100.0 0.805 0.805 0.000 17 2 no 0.000 0 0
1 43 SER QB 50 no 30.0 95.7 0.005 0.005 0.000 15 3 no 0.086 0 0
1 44 GLU QB 60 no 100.0 100.0 0.001 0.001 0.000 14 4 no 0.120 0 0
1 44 GLU QG 152 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 46 PHE QB 26 yes 100.0 76.9 1.755 2.283 0.528 24 4 no 0.721 0 1
1 47 GLY QA 124 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 48 PHE QB 72 yes 100.0 100.0 0.775 0.775 0.000 12 0 no 0.000 0 0
1 49 GLU QB 53 yes 100.0 99.9 0.931 0.931 0.001 15 4 no 0.068 0 0
1 49 GLU QG 147 no 20.0 99.4 0.012 0.012 0.000 6 3 no 0.027 0 0
1 50 ARG QB 120 no 90.0 98.5 0.099 0.101 0.001 8 6 no 0.558 0 1
1 50 ARG QD 64 no 60.0 12.9 0.086 0.666 0.580 14 7 yes 1.771 2 4
1 50 ARG QG 44 no 70.0 94.3 0.688 0.730 0.041 17 5 yes 1.091 1 4
1 51 GLU QB 162 yes 80.0 75.3 0.231 0.307 0.076 4 0 no 0.625 0 2
1 51 GLU QG 144 no 50.0 47.2 0.053 0.112 0.059 6 2 no 0.532 0 1
1 53 VAL QG 8 no 100.0 100.0 15.681 15.688 0.008 42 14 no 0.099 0 0
1 54 SER QB 85 yes 90.0 93.8 0.167 0.178 0.011 12 8 no 0.288 0 0
1 55 GLY QA 113 no 100.0 100.0 0.016 0.016 0.000 9 1 no 0.136 0 0
1 56 ILE QG 58 yes 100.0 100.0 0.452 0.452 0.000 14 1 no 0.000 0 0
1 57 LEU QB 80 no 100.0 100.0 0.005 0.005 0.000 12 6 no 0.132 0 0
1 57 LEU QD 10 no 100.0 100.0 15.829 15.831 0.002 36 10 no 0.288 0 0
1 58 GLY QA 174 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 59 LYS QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 59 LYS QD 176 no 20.0 100.0 0.029 0.029 0.000 1 0 no 0.000 0 0
1 59 LYS QE 167 no 70.0 72.1 0.176 0.245 0.068 4 2 yes 1.366 1 2
1 59 LYS QG 166 no 20.0 100.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 61 GLU QB 142 no 10.0 100.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 62 PHE QB 75 no 90.0 94.1 0.006 0.007 0.000 12 2 no 0.098 0 0
1 64 GLY QA 151 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 65 GLN QB 132 no 50.0 20.3 0.099 0.490 0.390 7 2 yes 1.084 1 7
1 65 GLN QE 70 no 100.0 90.7 0.890 0.982 0.092 13 7 no 0.700 0 2
1 65 GLN QG 134 no 50.0 71.6 0.301 0.421 0.119 7 4 yes 1.372 2 2
1 66 HIS QB 139 no 10.0 27.3 0.000 0.000 0.000 6 0 no 0.053 0 0
1 70 ILE QG 116 no 50.0 77.6 0.028 0.036 0.008 8 1 no 0.241 0 0
1 72 ASN QB 109 yes 80.0 85.6 0.211 0.247 0.035 10 6 no 0.519 0 1
1 72 ASN QD 62 yes 100.0 82.1 0.959 1.168 0.209 14 6 no 0.519 0 1
1 73 SER QB 160 no 50.0 11.9 0.008 0.068 0.060 4 0 no 0.692 0 1
2 2 VAL QG 154 no 90.0 99.4 0.695 0.699 0.004 5 1 no 0.150 0 0
2 3 ASP QB 138 no 30.0 93.2 0.028 0.030 0.002 6 0 no 0.140 0 0
2 4 SER QB 112 no 60.0 55.6 0.043 0.077 0.034 9 1 no 0.483 0 0
2 6 SER QB 74 no 70.0 24.3 0.017 0.068 0.052 12 2 no 0.387 0 0
2 7 LYS QB 96 no 100.0 0.0 0.000 0.000 0.000 10 1 no 0.000 0 0
2 7 LYS QD 84 yes 100.0 99.4 0.136 0.136 0.001 12 8 no 0.044 0 0
2 7 LYS QE 23 no 70.0 72.0 0.716 0.995 0.278 25 11 no 0.842 0 2
2 7 LYS QG 65 yes 100.0 99.2 0.165 0.166 0.001 13 5 no 0.068 0 0
2 8 GLU QB 33 no 90.0 50.9 0.015 0.030 0.015 19 11 no 0.159 0 0
2 8 GLU QG 31 yes 90.0 77.5 0.507 0.655 0.148 20 10 no 0.784 0 3
2 9 GLU QB 47 yes 100.0 100.0 0.223 0.223 0.000 16 6 no 0.027 0 0
2 9 GLU QG 52 yes 100.0 99.9 0.845 0.846 0.001 15 4 no 0.086 0 0
2 10 ILE QG 88 no 50.0 29.6 0.166 0.561 0.395 11 1 yes 1.007 1 5
2 13 LEU QB 178 no 70.0 45.6 0.011 0.025 0.014 1 1 no 0.212 0 0
2 13 LEU QD 104 no 100.0 100.0 1.447 1.447 0.000 10 5 no 0.040 0 0
2 14 ILE QG 99 no 100.0 100.0 0.030 0.030 0.000 10 3 no 0.212 0 0
2 15 VAL QG 3 no 100.0 83.3 10.961 13.161 2.201 50 17 yes 1.412 3 4
2 16 ASN QB 169 no 100.0 99.9 0.047 0.047 0.000 3 0 no 0.239 0 0
2 16 ASN QD 27 no 70.0 40.8 0.039 0.096 0.057 24 13 no 0.182 0 0
2 17 TYR QB 93 yes 100.0 100.0 0.516 0.516 0.000 10 0 no 0.016 0 0
2 18 PHE QB 11 yes 100.0 47.7 0.108 0.225 0.118 35 15 no 0.075 0 0
2 19 SER QB 128 no 80.0 59.1 0.076 0.128 0.052 7 1 no 0.546 0 1
2 20 SER QB 91 no 100.0 90.1 0.020 0.022 0.002 11 3 no 0.348 0 0
2 21 ILE QG 21 yes 100.0 100.0 0.568 0.568 0.000 25 7 no 0.000 0 0
2 22 VAL QG 5 no 100.0 100.0 23.216 23.217 0.001 43 23 no 0.040 0 0
2 23 GLU QB 95 no 40.0 100.0 0.383 0.383 0.000 10 1 no 0.028 0 0
2 23 GLU QG 127 no 60.0 73.2 0.008 0.011 0.003 7 1 no 0.283 0 0
2 24 LYS QB 77 yes 100.0 96.7 0.444 0.459 0.015 12 5 no 0.279 0 0
2 24 LYS QD 177 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 24 LYS QE 103 no 70.0 14.7 0.095 0.646 0.551 10 5 yes 1.445 2 3
2 24 LYS QG 81 no 100.0 96.1 0.460 0.479 0.019 12 7 no 0.435 0 0
2 25 LYS QB 108 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
2 25 LYS QD 165 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 25 LYS QE 171 no 20.0 3.7 0.003 0.071 0.068 3 2 no 0.592 0 2
2 25 LYS QG 135 no 90.0 23.0 0.022 0.094 0.073 7 5 no 0.592 0 2
2 26 GLU QB 55 yes 100.0 99.7 1.751 1.756 0.005 15 5 no 0.212 0 0
2 26 GLU QG 146 no 60.0 51.4 0.260 0.505 0.245 6 3 yes 0.826 0 8
2 27 ILE QG 13 yes 100.0 86.0 3.282 3.816 0.534 28 10 no 0.000 0 0
2 28 SER QB 123 no 80.0 71.6 0.099 0.138 0.039 7 0 no 0.415 0 0
2 29 GLU QB 117 no 100.0 100.0 0.000 0.000 0.000 8 2 no 0.011 0 0
2 29 GLU QG 153 no 40.0 7.2 0.021 0.292 0.271 5 1 yes 0.806 0 5
2 30 ASP QB 87 no 40.0 14.4 0.002 0.014 0.012 11 1 no 0.338 0 0
2 31 GLY QA 15 yes 100.0 100.0 0.726 0.726 0.000 27 8 no 0.000 0 0
2 33 ASP QB 41 yes 90.0 66.3 0.325 0.490 0.165 17 3 yes 1.032 1 2
2 34 SER QB 67 no 40.0 24.3 0.063 0.259 0.196 13 6 no 0.573 0 6
2 35 LEU QB 29 yes 100.0 100.0 0.925 0.925 0.000 23 10 no 0.000 0 0
2 35 LEU QD 1 no 100.0 100.0 12.595 12.600 0.005 107 32 no 0.055 0 0
2 36 ASN QB 101 no 100.0 100.0 1.835 1.835 0.000 10 4 no 0.000 0 0
2 36 ASN QD 45 no 100.0 100.0 0.331 0.331 0.000 17 7 no 0.000 0 0
2 37 VAL QG 17 no 100.0 98.7 7.410 7.510 0.100 27 10 no 0.547 0 2
2 39 MET QB 35 no 90.0 90.5 0.116 0.128 0.012 18 7 no 0.127 0 0
2 39 MET QG 19 yes 100.0 100.0 2.381 2.381 0.000 26 11 no 0.022 0 0
2 40 ASP QB 122 no 20.0 100.0 0.040 0.040 0.000 7 0 no 0.011 0 0
2 41 CYS QB 37 yes 100.0 100.0 0.225 0.225 0.000 17 1 no 0.000 0 0
2 42 ILE QG 39 yes 100.0 100.0 0.804 0.804 0.000 17 2 no 0.000 0 0
2 43 SER QB 49 no 30.0 95.4 0.005 0.006 0.000 15 3 no 0.082 0 0
2 44 GLU QB 59 no 100.0 100.0 0.001 0.001 0.000 14 4 no 0.116 0 0
2 44 GLU QG 150 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
2 46 PHE QB 25 yes 100.0 76.8 1.752 2.280 0.528 24 4 no 0.727 0 1
2 47 GLY QA 121 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
2 48 PHE QB 71 yes 100.0 100.0 0.776 0.776 0.000 12 0 no 0.000 0 0
2 49 GLU QB 51 yes 100.0 99.9 0.934 0.935 0.001 15 4 no 0.067 0 0
2 49 GLU QG 145 no 20.0 99.4 0.012 0.012 0.000 6 3 no 0.028 0 0
2 50 ARG QB 119 no 90.0 98.4 0.097 0.098 0.002 8 6 no 0.552 0 1
2 50 ARG QD 63 no 60.0 12.6 0.084 0.664 0.580 14 7 yes 1.767 2 4
2 50 ARG QG 43 no 70.0 94.3 0.688 0.729 0.042 17 5 yes 1.094 1 4
2 51 GLU QB 159 yes 80.0 75.4 0.232 0.308 0.076 4 0 no 0.626 0 2
2 51 GLU QG 143 no 50.0 48.1 0.055 0.114 0.059 6 2 no 0.535 0 1
2 53 VAL QG 7 no 100.0 99.9 15.697 15.705 0.008 42 14 no 0.102 0 0
2 54 SER QB 83 yes 90.0 94.0 0.170 0.181 0.011 12 8 no 0.287 0 0
2 55 GLY QA 111 no 100.0 100.0 0.016 0.016 0.000 9 1 no 0.138 0 0
2 56 ILE QG 57 yes 100.0 100.0 0.453 0.453 0.000 14 1 no 0.000 0 0
2 57 LEU QB 79 no 100.0 100.0 0.005 0.005 0.000 12 6 no 0.130 0 0
2 57 LEU QD 9 no 100.0 100.0 15.834 15.836 0.002 36 10 no 0.287 0 0
2 58 GLY QA 173 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 59 LYS QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 59 LYS QD 175 no 20.0 100.0 0.029 0.029 0.000 1 0 no 0.000 0 0
2 59 LYS QE 164 no 70.0 72.2 0.178 0.246 0.068 4 2 yes 1.369 1 2
2 59 LYS QG 163 no 20.0 100.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 61 GLU QB 141 no 10.0 100.0 0.000 0.000 0.000 6 1 no 0.000 0 0
2 62 PHE QB 73 no 90.0 93.9 0.006 0.007 0.000 12 2 no 0.099 0 0
2 64 GLY QA 149 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
2 65 GLN QB 131 no 50.0 19.9 0.097 0.488 0.391 7 2 yes 1.083 1 7
2 65 GLN QE 69 no 100.0 90.6 0.880 0.971 0.091 13 7 no 0.699 0 2
2 65 GLN QG 133 no 50.0 71.7 0.301 0.420 0.119 7 4 yes 1.372 2 2
2 66 HIS QB 137 no 10.0 33.0 0.000 0.000 0.000 6 0 no 0.048 0 0
2 70 ILE QG 115 no 50.0 77.5 0.028 0.036 0.008 8 1 no 0.242 0 0
2 72 ASN QB 107 yes 80.0 85.8 0.212 0.247 0.035 10 6 no 0.515 0 1
2 72 ASN QD 61 yes 100.0 82.1 0.959 1.169 0.209 14 6 no 0.515 0 1
2 73 SER QB 157 no 50.0 10.7 0.007 0.067 0.060 4 0 no 0.682 0 1
stop_
save_
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