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 |
|
|
521373 |
2l47   |
17232 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2l47
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 181
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 1.1
_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 1.031
_Stereo_assign_list.Total_e_high_states 171.984
_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 1 MET QG 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.026 0 0
1 2 GLU QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 GLN QB 64 no 100.0 98.8 0.741 0.750 0.009 12 2 no 0.179 0 0
1 4 GLN QE 30 no 100.0 99.3 0.881 0.888 0.006 16 5 no 0.153 0 0
1 4 GLN QG 127 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.070 0 0
1 5 LYS QB 126 no 100.0 97.6 0.240 0.246 0.006 6 0 no 0.104 0 0
1 5 LYS QG 157 no 100.0 100.0 0.318 0.318 0.000 4 0 no 0.000 0 0
1 6 LYS QB 179 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.074 0 0
1 6 LYS QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 7 LEU QB 107 no 100.0 100.0 0.056 0.056 0.000 8 4 no 0.000 0 0
1 7 LEU QD 19 no 100.0 0.0 0.000 0.000 0.000 20 14 no 0.043 0 0
1 8 VAL QG 3 no 100.0 99.9 10.120 10.133 0.013 31 4 no 0.168 0 0
1 9 ASP QB 159 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 10 PRO QB 160 no 100.0 99.8 0.998 1.000 0.002 3 0 no 0.106 0 0
1 10 PRO QD 104 no 100.0 100.0 0.095 0.095 0.000 8 2 no 0.016 0 0
1 10 PRO QG 181 no 90.0 99.9 0.055 0.055 0.000 1 0 no 0.032 0 0
1 12 LYS QB 43 no 100.0 99.8 0.302 0.303 0.000 14 1 no 0.066 0 0
1 12 LYS QG 155 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.077 0 0
1 13 TYR QB 133 no 80.0 91.4 0.068 0.074 0.006 5 0 no 0.111 0 0
1 14 GLY QA 97 no 100.0 100.0 0.046 0.046 0.000 9 4 no 0.002 0 0
1 16 LYS QB 92 no 100.0 99.8 0.951 0.953 0.002 9 0 no 0.152 0 0
1 17 CYS QB 31 no 100.0 99.7 0.932 0.935 0.003 16 6 no 0.102 0 0
1 18 PRO QB 118 no 100.0 100.0 1.597 1.597 0.000 7 4 no 0.026 0 0
1 18 PRO QD 23 no 100.0 99.9 0.890 0.891 0.001 17 2 no 0.063 0 0
1 18 PRO QG 74 no 100.0 100.0 3.091 3.092 0.001 11 0 no 0.058 0 0
1 19 TYR QB 115 no 100.0 99.4 3.319 3.339 0.020 7 0 no 0.193 0 0
1 21 MET QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.035 0 0
1 21 MET QG 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 LYS QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 LYS QG 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 23 PRO QB 68 no 100.0 100.0 0.724 0.724 0.000 12 3 no 0.000 0 0
1 23 PRO QD 53 no 100.0 100.0 0.847 0.847 0.000 13 0 no 0.049 0 0
1 23 PRO QG 136 no 100.0 100.0 1.996 1.996 0.001 5 1 no 0.075 0 0
1 24 LYS QG 39 no 100.0 99.7 1.794 1.799 0.005 15 8 no 0.086 0 0
1 25 TYR QB 12 no 100.0 99.1 2.657 2.680 0.023 21 3 no 0.179 0 0
1 26 ILE QG 83 no 100.0 100.0 0.845 0.845 0.000 10 1 no 0.000 0 0
1 28 VAL QG 125 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.006 0 0
1 29 HIS QB 91 no 100.0 100.0 4.253 4.255 0.002 9 0 no 0.075 0 0
1 30 ASN QB 79 no 100.0 100.0 1.282 1.283 0.000 11 2 no 0.034 0 0
1 30 ASN QD 2 no 100.0 99.7 2.273 2.280 0.007 32 10 no 0.102 0 0
1 34 ASP QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.036 0 0
1 36 PRO QB 67 no 100.0 99.9 2.817 2.819 0.002 12 3 no 0.072 0 0
1 36 PRO QD 38 no 100.0 99.8 2.601 2.607 0.006 15 7 no 0.092 0 0
1 36 PRO QG 81 no 100.0 99.6 1.299 1.305 0.006 11 5 no 0.167 0 0
1 39 ASN QB 33 no 100.0 97.5 0.230 0.236 0.006 16 9 no 0.088 0 0
1 39 ASN QD 49 no 100.0 99.4 0.867 0.872 0.005 14 8 no 0.160 0 0
1 40 GLU QB 61 no 100.0 100.0 0.244 0.244 0.000 12 1 no 0.000 0 0
1 40 GLU QG 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
1 41 VAL QG 1 no 100.0 100.0 4.505 4.505 0.000 32 5 no 0.066 0 0
1 43 TYR QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 44 MET QB 60 no 85.0 100.0 0.027 0.027 0.000 12 1 no 0.010 0 0
1 44 MET QG 87 no 100.0 99.8 1.970 1.974 0.004 10 3 no 0.111 0 0
1 45 ILE QG 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 46 SER QB 176 no 100.0 99.3 0.085 0.086 0.001 2 0 no 0.097 0 0
1 47 ASN QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.041 0 0
1 47 ASN QD 46 no 100.0 98.7 0.997 1.010 0.013 14 4 no 0.188 0 0
1 48 ASN QD 175 no 5.0 85.0 0.001 0.001 0.000 2 0 no 0.050 0 0
1 52 SER QB 45 no 100.0 100.0 0.090 0.090 0.000 14 2 no 0.013 0 0
1 53 PHE QB 66 no 100.0 100.0 0.552 0.552 0.000 12 3 no 0.007 0 0
1 54 HIS QB 63 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 55 ILE QG 29 no 65.0 8.7 0.002 0.021 0.020 16 5 no 0.168 0 0
1 57 VAL QG 28 no 100.0 0.0 0.000 0.005 0.005 16 4 no 0.123 0 0
1 58 ASP QB 10 no 100.0 100.0 0.509 0.509 0.000 22 3 no 0.000 0 0
1 59 ASP QB 21 no 95.0 97.8 0.343 0.351 0.008 18 4 no 0.114 0 0
1 60 LYS QB 114 no 45.0 87.5 0.014 0.016 0.002 7 0 no 0.180 0 0
1 61 LYS QB 95 no 100.0 99.9 1.312 1.313 0.001 9 2 no 0.080 0 0
1 61 LYS QG 93 no 100.0 100.0 0.669 0.669 0.000 9 1 no 0.035 0 0
1 64 GLN QB 56 no 100.0 100.0 1.578 1.578 0.000 13 2 no 0.043 0 0
1 64 GLN QE 6 no 100.0 99.9 2.944 2.946 0.002 26 12 no 0.057 0 0
1 64 GLN QG 17 no 100.0 96.9 0.457 0.472 0.015 20 5 no 0.154 0 0
1 65 GLY QA 24 no 100.0 100.0 0.021 0.021 0.000 17 4 no 0.000 0 0
1 66 ILE QG 78 no 100.0 99.9 3.625 3.628 0.003 11 2 no 0.085 0 0
1 67 PRO QB 65 no 100.0 100.0 1.899 1.900 0.000 12 3 no 0.036 0 0
1 67 PRO QD 13 no 100.0 99.9 2.476 2.477 0.001 21 6 no 0.060 0 0
1 67 PRO QG 70 no 100.0 99.8 1.164 1.166 0.002 12 5 no 0.090 0 0
1 68 LEU QB 37 no 95.0 97.5 0.049 0.050 0.001 15 5 no 0.054 0 0
1 68 LEU QD 4 no 100.0 99.8 12.299 12.329 0.030 30 12 no 0.185 0 0
1 69 GLU QB 174 no 100.0 100.0 0.178 0.178 0.000 2 0 no 0.021 0 0
1 70 ARG QB 25 no 100.0 99.9 1.406 1.408 0.002 17 8 no 0.106 0 0
1 70 ARG QD 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 ARG QG 116 no 100.0 98.9 1.654 1.672 0.018 7 1 no 0.284 0 0
1 71 ASN QB 113 no 100.0 99.8 2.341 2.345 0.005 7 0 no 0.140 0 0
1 71 ASN QD 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 TRP QB 52 no 100.0 98.4 0.555 0.564 0.009 13 0 no 0.144 0 0
1 75 CYS QB 149 no 0.0 0.0 0.000 0.004 0.004 4 0 no 0.092 0 0
1 76 GLY QA 135 no 15.0 100.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 77 ASP QB 128 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.072 0 0
1 78 GLY QA 162 yes 100.0 100.0 0.121 0.121 0.000 3 1 no 0.012 0 0
1 79 ASN QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 ASN QD 132 no 35.0 99.7 0.107 0.107 0.000 5 0 no 0.083 0 0
1 80 GLY QA 131 no 95.0 96.3 1.370 1.422 0.053 5 0 no 0.825 0 1
1 82 GLY QA 73 no 100.0 87.4 0.718 0.822 0.104 11 0 no 0.790 0 2
1 83 ASN QB 42 no 100.0 100.0 1.902 1.902 0.000 14 1 no 0.037 0 0
1 83 ASN QD 41 no 100.0 99.8 1.128 1.131 0.002 14 1 no 0.071 0 0
1 84 ARG QD 170 no 0.0 0.0 0.000 0.001 0.001 2 0 no 0.060 0 0
1 85 GLN QB 55 no 100.0 100.0 0.157 0.157 0.000 13 2 no 0.000 0 0
1 85 GLN QE 129 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.052 0 0
1 85 GLN QG 40 no 100.0 99.9 3.334 3.336 0.002 14 1 no 0.089 0 0
1 87 ILE QG 80 no 100.0 99.7 2.214 2.220 0.007 11 4 no 0.093 0 0
1 88 SER QB 9 no 100.0 100.0 2.519 2.520 0.001 22 3 no 0.057 0 0
1 89 VAL QG 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 GLU QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 ILE QG 34 no 100.0 99.8 5.758 5.767 0.009 15 2 no 0.101 0 0
1 92 CYS QB 20 no 100.0 99.8 2.272 2.278 0.006 18 3 no 0.128 0 0
1 93 TYR QB 96 no 100.0 99.9 2.507 2.509 0.002 9 4 no 0.063 0 0
1 95 LYS QB 59 no 100.0 98.3 0.428 0.435 0.007 12 0 no 0.142 0 0
1 95 LYS QD 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 95 LYS QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 SER QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 GLY QA 137 yes 100.0 97.8 0.296 0.303 0.007 5 3 no 0.156 0 0
1 98 GLY QA 122 no 85.0 100.0 0.014 0.014 0.000 6 0 no 0.000 0 0
1 100 ARG QB 71 no 100.0 99.0 0.520 0.525 0.005 12 7 no 0.114 0 0
1 100 ARG QD 117 no 90.0 99.9 0.812 0.813 0.001 7 2 no 0.064 0 0
1 100 ARG QG 146 no 100.0 100.0 1.923 1.923 0.000 4 0 no 0.016 0 0
1 101 TYR QB 57 no 100.0 100.0 1.863 1.863 0.000 13 5 no 0.031 0 0
1 102 TYR QB 112 no 100.0 100.0 0.244 0.244 0.000 7 0 no 0.021 0 0
1 105 GLU QB 44 no 100.0 100.0 7.194 7.197 0.003 14 2 no 0.094 0 0
1 105 GLU QG 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.035 0 0
1 106 ASP QB 86 no 95.0 97.2 0.231 0.238 0.007 10 2 no 0.209 0 0
1 107 ASN QB 27 no 100.0 100.0 0.165 0.165 0.000 16 4 no 0.014 0 0
1 107 ASN QD 7 no 100.0 99.9 1.380 1.381 0.001 25 1 no 0.060 0 0
1 109 VAL QG 18 no 100.0 0.0 0.000 0.007 0.007 20 6 no 0.209 0 0
1 110 ASP QB 120 no 100.0 0.0 0.000 0.021 0.021 6 0 no 0.191 0 0
1 111 VAL QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 VAL QG 8 no 100.0 100.0 2.335 2.336 0.001 24 3 no 0.052 0 0
1 113 ARG QD 16 no 100.0 99.6 3.040 3.053 0.013 20 4 no 0.176 0 0
1 114 GLN QB 69 no 50.0 84.5 0.134 0.159 0.025 12 4 no 0.250 0 0
1 114 GLN QE 108 no 100.0 0.0 0.000 0.017 0.017 8 6 no 0.250 0 0
1 114 GLN QG 62 no 75.0 89.6 0.026 0.030 0.003 12 2 no 0.076 0 0
1 115 LEU QB 85 no 60.0 100.0 0.007 0.007 0.000 10 2 no 0.000 0 0
1 115 LEU QD 103 no 0.0 0.0 0.000 0.000 0.000 8 2 no 0.041 0 0
1 116 MET QB 51 no 100.0 100.0 0.361 0.361 0.000 13 0 no 0.045 0 0
1 116 MET QG 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 MET QB 76 no 100.0 100.0 0.835 0.835 0.000 11 1 no 0.018 0 0
1 118 MET QG 134 no 35.0 96.9 0.003 0.003 0.000 5 1 no 0.016 0 0
1 119 TYR QB 47 no 100.0 99.8 0.833 0.834 0.001 14 5 no 0.068 0 0
1 120 ASN QB 143 no 70.0 99.6 0.081 0.081 0.000 4 0 no 0.032 0 0
1 121 ILE QG 48 no 100.0 99.9 4.281 4.283 0.002 14 6 no 0.076 0 0
1 122 PRO QB 130 no 100.0 100.0 0.804 0.804 0.000 5 0 no 0.000 0 0
1 122 PRO QD 58 no 100.0 100.0 1.149 1.149 0.000 13 7 no 0.024 0 0
1 122 PRO QG 82 no 100.0 100.0 1.188 1.188 0.000 11 6 no 0.037 0 0
1 123 ILE QG 72 no 100.0 100.0 1.420 1.420 0.000 11 0 no 0.037 0 0
1 124 GLU QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 125 ASN QB 36 no 100.0 100.0 0.618 0.618 0.000 15 5 no 0.000 0 0
1 125 ASN QD 5 no 30.0 48.6 0.012 0.024 0.012 28 14 no 0.155 0 0
1 126 VAL QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 127 ARG QD 111 no 100.0 100.0 1.409 1.409 0.000 7 0 no 0.022 0 0
1 129 HIS QB 35 no 100.0 88.8 1.593 1.795 0.201 15 3 no 0.703 0 7
1 130 GLN QB 22 no 100.0 99.1 0.611 0.616 0.005 18 6 no 0.094 0 0
1 130 GLN QE 32 no 100.0 98.5 0.645 0.654 0.010 16 9 no 0.141 0 0
1 131 SER QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.039 0 0
1 132 TRP QB 75 no 100.0 99.6 0.128 0.128 0.000 11 1 no 0.054 0 0
1 133 SER QB 105 no 95.0 99.7 0.461 0.462 0.001 8 3 no 0.072 0 0
1 134 GLY QA 161 no 95.0 70.7 0.024 0.034 0.010 3 1 no 0.139 0 0
1 135 LYS QB 90 no 100.0 100.0 1.526 1.526 0.001 9 0 no 0.052 0 0
1 135 LYS QD 141 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.107 0 0
1 135 LYS QG 110 no 90.0 91.9 0.034 0.037 0.003 7 0 no 0.097 0 0
1 136 TYR QB 119 no 100.0 99.7 1.454 1.458 0.004 6 0 no 0.084 0 0
1 137 CYS QB 106 no 30.0 3.0 0.003 0.108 0.104 8 4 no 0.424 0 0
1 138 PRO QB 26 no 100.0 100.0 1.989 1.990 0.000 16 4 no 0.040 0 0
1 138 PRO QD 15 no 100.0 99.8 0.370 0.370 0.001 20 3 no 0.061 0 0
1 138 PRO QG 101 no 100.0 100.0 1.729 1.730 0.000 8 0 no 0.045 0 0
1 139 HIS QB 100 no 100.0 99.5 0.761 0.764 0.004 8 0 no 0.079 0 0
1 140 ARG QB 94 no 100.0 98.8 0.918 0.928 0.011 9 2 no 0.184 0 0
1 140 ARG QD 140 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.210 0 0
1 141 MET QG 102 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.102 0 0
1 142 LEU QB 54 no 70.0 59.2 0.002 0.003 0.001 13 2 no 0.068 0 0
1 142 LEU QD 11 no 100.0 0.0 0.000 0.003 0.003 22 10 no 0.087 0 0
1 144 GLU QB 139 no 100.0 100.0 0.037 0.037 0.000 4 0 no 0.000 0 0
1 144 GLU QG 89 no 100.0 99.5 2.998 3.014 0.016 9 0 no 0.247 0 0
1 145 GLY QA 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 146 ARG QB 99 no 5.0 100.0 0.003 0.003 0.000 8 0 no 0.000 0 0
1 147 TRP QB 50 no 100.0 99.9 1.872 1.874 0.002 13 0 no 0.054 0 0
1 148 GLY QA 98 no 100.0 100.0 0.002 0.002 0.000 8 0 no 0.000 0 0
1 151 ILE QG 109 no 100.0 100.0 1.478 1.478 0.000 7 0 no 0.000 0 0
1 153 LYS QB 77 no 100.0 100.0 0.200 0.200 0.000 11 2 no 0.004 0 0
1 153 LYS QD 84 no 100.0 97.8 1.055 1.079 0.024 10 2 no 0.180 0 0
1 154 VAL QG 14 no 100.0 0.0 0.000 0.004 0.004 20 2 no 0.093 0 0
1 156 ASN QD 138 no 60.0 97.9 0.191 0.195 0.004 4 0 no 0.150 0 0
1 157 GLY QA 88 no 50.0 50.0 0.011 0.023 0.011 10 4 no 0.507 0 1
1 159 VAL QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
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