NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563220 |
2lxn   |
17935 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lxn
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 218
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_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 0.803
_Stereo_assign_list.Total_e_high_states 394.477
_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 ILE QG 80 no 100.0 100.0 0.405 0.405 0.000 5 1 no 0.000 0 0
1 3 VAL QG 15 no 100.0 99.9 6.007 6.011 0.005 10 2 no 0.144 0 0
1 4 ILE QG 74 no 100.0 99.2 0.903 0.910 0.007 5 0 no 0.168 0 0
1 5 LEU QB 139 no 100.0 99.9 1.733 1.734 0.001 3 3 no 0.065 0 0
1 5 LEU QD 20 no 100.0 99.8 4.665 4.674 0.009 9 1 no 0.103 0 0
1 6 ASP QB 98 no 100.0 99.8 1.747 1.751 0.004 4 1 no 0.096 0 0
1 7 ASN QD 68 no 100.0 99.1 0.805 0.813 0.008 6 6 no 0.084 0 0
1 8 GLY QA 66 no 100.0 99.9 3.226 3.231 0.004 6 2 no 0.124 0 0
1 9 GLY QA 138 no 100.0 97.9 0.174 0.178 0.004 3 2 no 0.093 0 0
1 12 VAL QG 16 no 100.0 99.9 4.621 4.628 0.007 10 3 no 0.128 0 0
1 14 ARG QD 212 no 20.0 100.0 0.014 0.014 0.000 1 0 no 0.006 0 0
1 15 ILE QG 28 no 100.0 99.7 5.883 5.899 0.017 8 1 no 0.185 0 0
1 16 HIS QB 183 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.044 0 0
1 17 ARG QD 211 no 35.0 99.9 0.321 0.321 0.000 1 0 no 0.071 0 0
1 18 SER QB 182 no 85.0 100.0 0.884 0.884 0.000 2 0 no 0.005 0 0
1 19 LEU QB 79 no 85.0 100.0 0.080 0.080 0.000 5 1 no 0.014 0 0
1 19 LEU QD 123 no 70.0 98.7 0.191 0.194 0.002 3 0 no 0.090 0 0
1 20 LYS QB 97 no 90.0 97.3 0.953 0.979 0.027 4 1 no 0.512 0 2
1 20 LYS QE 62 no 85.0 97.4 1.758 1.806 0.048 6 1 no 0.512 0 2
1 20 LYS QG 181 no 10.0 92.6 0.122 0.132 0.010 2 0 no 0.154 0 0
1 21 TYR QB 42 no 100.0 99.5 2.230 2.241 0.011 7 1 no 0.212 0 0
1 22 ILE QG 61 no 100.0 99.7 3.076 3.084 0.008 6 1 no 0.166 0 0
1 23 GLY QA 122 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 24 VAL QG 51 no 100.0 100.0 0.295 0.295 0.000 6 0 no 0.023 0 0
1 25 SER QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 SER QB 95 no 65.0 99.3 0.155 0.156 0.001 4 0 no 0.052 0 0
1 27 LYS QB 188 no 100.0 100.0 0.120 0.120 0.000 2 1 no 0.000 0 0
1 27 LYS QD 179 no 55.0 98.0 0.995 1.015 0.020 2 0 no 0.181 0 0
1 27 LYS QE 132 no 100.0 99.8 2.865 2.872 0.006 3 1 no 0.260 0 0
1 28 ILE QG 121 no 100.0 100.0 2.785 2.785 0.000 3 0 no 0.008 0 0
1 29 VAL QG 4 no 100.0 99.9 4.356 4.361 0.005 16 5 no 0.096 0 0
1 30 PRO QB 120 no 100.0 100.0 0.962 0.962 0.000 3 0 no 0.010 0 0
1 30 PRO QG 131 no 100.0 99.7 0.505 0.506 0.001 3 1 no 0.074 0 0
1 31 ASN QB 33 no 100.0 99.5 2.396 2.407 0.011 8 3 no 0.152 0 0
1 34 PRO QB 50 no 100.0 100.0 0.725 0.725 0.000 6 0 no 0.010 0 0
1 35 LEU QB 119 no 95.0 88.3 0.021 0.024 0.003 3 0 no 0.058 0 0
1 35 LEU QD 94 no 100.0 98.2 0.421 0.428 0.008 4 0 no 0.375 0 0
1 36 GLU QB 210 no 90.0 100.0 0.180 0.180 0.000 1 0 no 0.000 0 0
1 37 GLU QB 178 no 100.0 96.1 0.172 0.179 0.007 2 0 no 0.100 0 0
1 38 ILE QG 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 GLU QB 93 no 100.0 99.5 0.210 0.212 0.001 4 0 no 0.053 0 0
1 40 SER QB 209 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 41 ASN QB 27 no 100.0 97.5 1.186 1.216 0.030 8 0 no 0.232 0 0
1 42 LYS QB 208 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 42 LYS QD 176 no 95.0 99.8 1.022 1.024 0.002 2 0 no 0.090 0 0
1 43 GLU QB 118 no 100.0 96.9 0.387 0.399 0.012 3 0 no 0.165 0 0
1 43 GLU QG 207 no 100.0 98.7 0.466 0.472 0.006 1 0 no 0.096 0 0
1 44 VAL QG 73 no 85.0 98.0 0.169 0.172 0.003 5 0 no 0.261 0 0
1 46 GLY QA 3 no 100.0 99.3 4.358 4.388 0.030 16 3 no 0.267 0 0
1 47 ILE QG 60 no 100.0 100.0 0.867 0.867 0.000 6 1 no 0.005 0 0
1 48 ILE QG 189 no 100.0 100.0 0.891 0.891 0.000 2 2 no 0.040 0 0
1 49 LEU QB 65 no 100.0 100.0 1.536 1.536 0.000 6 2 no 0.048 0 0
1 50 SER QB 137 no 35.0 99.9 0.026 0.026 0.000 3 2 no 0.025 0 0
1 51 GLY QA 187 no 70.0 97.8 0.046 0.047 0.001 2 1 no 0.079 0 0
1 52 GLY QA 100 no 100.0 100.0 0.000 0.000 0.000 4 2 no 0.005 0 0
1 53 PRO QB 206 no 100.0 100.0 0.879 0.879 0.000 1 0 no 0.009 0 0
1 53 PRO QD 136 no 100.0 99.6 0.945 0.949 0.004 3 2 no 0.093 0 0
1 53 PRO QG 175 no 100.0 100.0 4.775 4.775 0.000 2 0 no 0.016 0 0
1 54 ASP QB 174 no 100.0 100.0 0.204 0.204 0.000 2 0 no 0.024 0 0
1 56 GLU QB 173 no 100.0 100.0 1.874 1.874 0.000 2 0 no 0.003 0 0
1 56 GLU QG 117 no 95.0 100.0 1.146 1.146 0.001 3 0 no 0.050 0 0
1 57 LYS QB 172 no 100.0 100.0 0.159 0.159 0.000 2 0 no 0.000 0 0
1 57 LYS QD 205 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 57 LYS QE 116 no 100.0 100.0 0.227 0.227 0.000 3 0 no 0.035 0 0
1 57 LYS QG 92 no 100.0 100.0 2.602 2.603 0.000 4 0 no 0.051 0 0
1 59 LYS QG 171 no 100.0 100.0 0.261 0.261 0.000 2 0 no 0.000 0 0
1 60 ASN QB 130 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 60 ASN QD 59 no 100.0 100.0 2.731 2.731 0.001 6 1 no 0.053 0 0
1 61 CYS QB 9 no 100.0 98.9 2.386 2.413 0.028 12 4 no 0.133 0 0
1 62 ILE QG 170 no 100.0 99.8 0.769 0.770 0.001 2 0 no 0.059 0 0
1 63 ASP QB 91 no 35.0 99.2 0.002 0.002 0.000 4 0 no 0.017 0 0
1 64 ILE QG 169 no 100.0 100.0 2.022 2.022 0.000 2 0 no 0.000 0 0
1 66 LEU QB 204 no 100.0 100.0 0.448 0.448 0.000 1 0 no 0.000 0 0
1 66 LEU QD 115 no 100.0 100.0 1.382 1.382 0.000 3 0 no 0.000 0 0
1 67 ASN QB 26 no 100.0 100.0 3.504 3.505 0.001 8 0 no 0.060 0 0
1 67 ASN QD 168 no 85.0 100.0 0.080 0.080 0.000 2 0 no 0.000 0 0
1 69 LYS QB 167 no 100.0 100.0 0.001 0.001 0.000 2 0 no 0.072 0 0
1 69 LYS QG 166 no 35.0 99.1 0.240 0.242 0.002 2 0 no 0.098 0 0
1 70 LEU QB 203 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 71 PRO QB 129 no 100.0 100.0 2.921 2.923 0.001 3 1 no 0.087 0 0
1 71 PRO QD 96 no 100.0 99.8 4.239 4.248 0.009 4 1 no 0.144 0 0
1 71 PRO QG 218 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 73 LEU QB 72 no 100.0 100.0 1.833 1.833 0.000 5 0 no 0.034 0 0
1 73 LEU QD 17 no 100.0 100.0 12.294 12.294 0.000 10 4 no 0.024 0 0
1 74 GLY QA 25 no 100.0 99.8 3.407 3.414 0.007 8 0 no 0.112 0 0
1 75 ILE QG 128 no 100.0 100.0 3.088 3.090 0.001 3 1 no 0.053 0 0
1 76 CYS QB 217 no 100.0 100.0 0.000 0.000 0.000 1 1 no 0.025 0 0
1 77 LEU QD 165 no 50.0 91.4 0.005 0.005 0.000 2 0 no 0.045 0 0
1 78 GLY QA 32 no 100.0 99.9 3.896 3.899 0.003 8 3 no 0.093 0 0
1 79 HIS QB 12 no 100.0 99.5 3.715 3.732 0.017 11 3 no 0.253 0 0
1 80 GLN QB 71 no 100.0 99.6 2.843 2.854 0.011 5 0 no 0.132 0 0
1 81 LEU QB 127 no 100.0 100.0 0.011 0.011 0.000 3 1 no 0.154 0 0
1 81 LEU QD 135 no 100.0 99.9 0.666 0.667 0.001 3 2 no 0.048 0 0
1 84 LEU QB 114 no 100.0 100.0 0.001 0.001 0.000 3 0 no 0.170 0 0
1 84 LEU QD 6 no 100.0 96.7 0.138 0.143 0.005 13 2 no 0.090 0 0
1 86 TYR QB 113 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 87 GLY QA 112 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 88 GLY QA 78 no 80.0 98.2 0.966 0.983 0.017 5 1 no 0.185 0 0
1 89 GLU QB 58 no 100.0 99.8 1.222 1.225 0.003 6 1 no 0.120 0 0
1 90 VAL QG 29 no 100.0 99.9 15.317 15.325 0.008 8 2 no 0.139 0 0
1 91 GLY QA 90 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 ARG QB 14 no 100.0 96.7 0.186 0.192 0.006 10 2 no 0.117 0 0
1 92 ARG QD 82 no 100.0 98.4 0.683 0.693 0.011 5 2 no 0.121 0 0
1 94 GLU QB 18 no 100.0 96.4 1.117 1.159 0.042 9 0 no 0.173 0 0
1 96 GLU QB 57 no 100.0 100.0 1.175 1.175 0.000 6 1 no 0.000 0 0
1 96 GLU QG 186 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 97 GLU QB 164 no 20.0 100.0 0.027 0.027 0.000 2 0 no 0.000 0 0
1 98 TYR QB 163 no 90.0 86.8 0.027 0.031 0.004 2 0 no 0.084 0 0
1 100 LEU QB 162 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 102 LYS QB 126 no 100.0 100.0 1.263 1.263 0.000 3 1 no 0.004 0 0
1 102 LYS QE 125 no 100.0 99.8 1.997 2.001 0.004 3 1 no 0.119 0 0
1 102 LYS QG 49 no 100.0 99.5 4.683 4.708 0.025 6 0 no 0.157 0 0
1 103 VAL QG 5 no 100.0 99.5 3.891 3.910 0.018 13 1 no 0.161 0 0
1 104 TYR QB 89 no 95.0 95.5 0.345 0.361 0.016 4 0 no 0.568 0 1
1 105 VAL QG 46 no 100.0 100.0 2.932 2.932 0.001 7 3 no 0.107 0 0
1 106 ASP QB 19 no 100.0 100.0 2.137 2.138 0.000 9 1 no 0.066 0 0
1 107 LYS QB 45 no 100.0 100.0 5.229 5.229 0.000 7 3 no 0.000 0 0
1 107 LYS QG 41 no 100.0 99.8 1.959 1.964 0.005 7 1 no 0.095 0 0
1 108 GLU QB 48 no 100.0 99.8 0.654 0.655 0.001 6 0 no 0.049 0 0
1 109 ASN QB 23 no 100.0 100.0 0.985 0.985 0.000 9 4 no 0.000 0 0
1 109 ASN QD 101 no 100.0 100.0 1.048 1.048 0.000 4 4 no 0.000 0 0
1 110 ASP QB 161 no 100.0 100.0 0.662 0.662 0.000 2 0 no 0.000 0 0
1 111 LEU QB 64 no 100.0 99.9 4.669 4.676 0.007 6 2 no 0.117 0 0
1 111 LEU QD 111 no 100.0 100.0 0.514 0.514 0.000 3 0 no 0.000 0 0
1 112 PHE QB 7 no 100.0 99.9 4.288 4.294 0.006 12 1 no 0.081 0 0
1 113 LYS QB 31 no 100.0 100.0 6.462 6.462 0.000 8 3 no 0.016 0 0
1 113 LYS QE 160 no 95.0 100.0 1.954 1.954 0.000 2 0 no 0.000 0 0
1 114 ASN QB 34 no 100.0 99.6 2.524 2.533 0.009 8 4 no 0.119 0 0
1 114 ASN QD 67 no 100.0 99.7 5.294 5.309 0.016 6 3 no 0.125 0 0
1 115 VAL QG 11 no 100.0 100.0 7.354 7.355 0.001 11 2 no 0.066 0 0
1 116 PRO QB 202 no 100.0 100.0 0.804 0.804 0.000 1 0 no 0.000 0 0
1 116 PRO QG 134 no 100.0 97.3 0.391 0.402 0.011 3 2 no 0.183 0 0
1 117 ARG QB 124 no 100.0 100.0 0.057 0.057 0.000 3 1 no 0.000 0 0
1 117 ARG QD 77 no 100.0 99.9 6.792 6.799 0.007 5 1 no 0.159 0 0
1 117 ARG QG 216 no 90.0 45.9 0.000 0.001 0.000 1 1 no 0.107 0 0
1 118 GLU QB 56 no 100.0 100.0 2.488 2.488 0.000 6 1 no 0.062 0 0
1 119 PHE QB 76 no 85.0 99.8 3.188 3.193 0.005 5 1 no 0.183 0 0
1 120 ASN QB 88 no 90.0 100.0 0.232 0.232 0.000 4 0 no 0.006 0 0
1 122 TRP QB 201 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 125 HIS QB 87 no 100.0 99.9 1.674 1.675 0.001 4 0 no 0.091 0 0
1 126 LYS QB 86 no 100.0 100.0 1.357 1.357 0.000 4 0 no 0.056 0 0
1 126 LYS QG 159 no 5.0 99.8 0.018 0.018 0.000 2 0 no 0.019 0 0
1 127 ASP QB 70 no 100.0 100.0 4.615 4.615 0.000 5 0 no 0.035 0 0
1 128 GLU QB 55 no 100.0 99.9 4.009 4.013 0.004 6 1 no 0.086 0 0
1 129 VAL QG 1 no 100.0 100.0 10.048 10.050 0.002 17 4 no 0.093 0 0
1 130 LYS QB 158 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.013 0 0
1 130 LYS QE 200 no 100.0 100.0 1.531 1.531 0.000 1 0 no 0.002 0 0
1 130 LYS QG 69 no 100.0 100.0 1.421 1.422 0.001 5 0 no 0.051 0 0
1 131 LYS QB 157 no 85.0 100.0 0.210 0.210 0.000 2 0 no 0.000 0 0
1 131 LYS QD 215 no 30.0 100.0 0.001 0.001 0.000 1 1 no 0.000 0 0
1 131 LYS QE 156 no 100.0 100.0 2.143 2.144 0.001 2 0 no 0.041 0 0
1 131 LYS QG 155 no 85.0 99.5 1.440 1.447 0.008 2 0 no 0.203 0 0
1 132 VAL QG 44 no 100.0 99.9 4.234 4.237 0.003 7 3 no 0.141 0 0
1 133 PRO QB 54 no 100.0 99.9 3.931 3.934 0.003 6 1 no 0.087 0 0
1 133 PRO QD 22 no 100.0 98.9 1.215 1.228 0.013 9 3 no 0.139 0 0
1 134 GLU QB 110 no 100.0 100.0 1.344 1.344 0.000 3 0 no 0.000 0 0
1 135 GLY QA 85 no 100.0 99.5 0.227 0.228 0.001 4 0 no 0.064 0 0
1 136 PHE QB 53 no 100.0 99.9 4.522 4.527 0.004 6 1 no 0.111 0 0
1 136 PHE QD 214 no 85.0 99.7 0.814 0.817 0.003 1 1 no 0.141 0 0
1 136 PHE QE 199 no 100.0 99.9 1.719 1.721 0.002 1 0 no 0.077 0 0
1 137 GLU QB 198 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 138 ILE QG 40 no 100.0 100.0 2.217 2.217 0.000 7 1 no 0.053 0 0
1 139 LEU QB 154 no 90.0 100.0 2.194 2.194 0.000 2 0 no 0.022 0 0
1 139 LEU QD 2 no 100.0 100.0 4.448 4.448 0.001 16 3 no 0.042 0 0
1 141 HIS QB 197 no 40.0 99.9 0.319 0.320 0.000 1 0 no 0.076 0 0
1 142 SER QB 109 no 100.0 99.9 2.403 2.406 0.003 3 0 no 0.104 0 0
1 143 ASP QB 108 no 10.0 78.5 0.001 0.001 0.000 3 0 no 0.051 0 0
1 145 CYS QB 107 no 100.0 100.0 1.818 1.819 0.001 3 0 no 0.117 0 0
1 146 GLN QB 196 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 147 VAL QG 63 no 100.0 100.0 2.451 2.452 0.001 6 2 no 0.055 0 0
1 148 GLU QB 153 no 95.0 11.7 0.000 0.004 0.003 2 0 no 0.270 0 0
1 150 MET QB 106 no 100.0 100.0 0.001 0.001 0.000 3 0 no 0.085 0 0
1 150 MET QG 195 no 95.0 99.9 1.696 1.697 0.001 1 0 no 0.091 0 0
1 151 LYS QB 30 no 95.0 99.7 2.238 2.244 0.007 8 3 no 0.119 0 0
1 151 LYS QE 185 no 100.0 99.9 1.357 1.358 0.001 2 1 no 0.101 0 0
1 151 LYS QG 152 no 10.0 96.1 0.089 0.093 0.004 2 0 no 0.263 0 0
1 152 HIS QB 36 no 100.0 99.6 1.845 1.853 0.007 7 0 no 0.143 0 0
1 153 LYS QB 84 no 100.0 100.0 1.772 1.772 0.000 4 0 no 0.046 0 0
1 153 LYS QE 151 no 100.0 100.0 1.637 1.637 0.000 2 0 no 0.010 0 0
1 153 LYS QG 150 no 20.0 100.0 0.008 0.008 0.000 2 0 no 0.000 0 0
1 155 LYS QB 149 no 100.0 99.7 0.471 0.473 0.002 2 0 no 0.099 0 0
1 155 LYS QE 194 no 100.0 100.0 2.083 2.084 0.001 1 0 no 0.078 0 0
1 156 PRO QB 105 no 100.0 100.0 1.123 1.123 0.000 3 0 no 0.000 0 0
1 156 PRO QD 148 no 100.0 99.1 0.855 0.864 0.008 2 0 no 0.135 0 0
1 156 PRO QG 193 no 100.0 100.0 0.567 0.567 0.000 1 0 no 0.000 0 0
1 157 ILE QG 192 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 158 TYR QB 8 no 100.0 100.0 4.549 4.551 0.002 12 4 no 0.094 0 0
1 159 GLY QA 39 no 100.0 100.0 1.570 1.570 0.000 7 1 no 0.033 0 0
1 160 VAL QG 13 no 100.0 100.0 2.240 2.240 0.000 10 1 no 0.000 0 0
1 161 GLN QB 213 no 100.0 100.0 0.526 0.526 0.000 1 1 no 0.003 0 0
1 161 GLN QG 147 no 50.0 91.3 0.019 0.021 0.002 2 0 no 0.079 0 0
1 162 PHE QE 146 no 100.0 100.0 24.799 24.800 0.001 2 0 no 0.074 0 0
1 164 PRO QD 145 no 95.0 99.3 0.097 0.098 0.001 2 0 no 0.086 0 0
1 166 VAL QG 191 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 172 GLY QA 35 no 100.0 99.9 1.786 1.788 0.002 7 0 no 0.070 0 0
1 173 ASN QB 99 no 100.0 99.7 1.007 1.010 0.003 4 2 no 0.144 0 0
1 173 ASN QD 133 no 100.0 100.0 0.005 0.005 0.000 3 2 no 0.221 0 0
1 174 GLU QB 104 no 100.0 100.0 0.914 0.914 0.000 3 0 no 0.004 0 0
1 174 GLU QG 190 no 100.0 100.0 1.816 1.816 0.000 1 0 no 0.041 0 0
1 176 LEU QB 38 no 100.0 100.0 1.269 1.269 0.000 7 1 no 0.064 0 0
1 176 LEU QD 21 no 100.0 100.0 6.070 6.070 0.000 9 2 no 0.000 0 0
1 177 LYS QB 103 no 100.0 100.0 1.703 1.703 0.000 3 0 no 0.021 0 0
1 178 ASN QB 43 no 100.0 99.6 3.971 3.986 0.015 7 2 no 0.149 0 0
1 178 ASN QD 10 no 100.0 99.8 8.655 8.674 0.019 12 5 no 0.119 0 0
1 179 PHE QB 144 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.006 0 0
1 180 CYS QB 81 no 100.0 100.0 1.110 1.110 0.000 5 2 no 0.040 0 0
1 181 LYS QB 37 no 100.0 100.0 6.262 6.262 0.000 7 1 no 0.068 0 0
1 181 LYS QE 143 no 100.0 99.8 3.857 3.863 0.006 2 0 no 0.218 0 0
1 181 LYS QG 142 no 100.0 100.0 0.253 0.253 0.000 2 0 no 0.000 0 0
1 182 VAL QG 52 no 100.0 100.0 0.220 0.220 0.000 6 1 no 0.000 0 0
1 183 CYS QB 24 no 100.0 99.4 0.425 0.427 0.003 8 0 no 0.084 0 0
1 184 GLY QA 83 no 100.0 100.0 0.344 0.344 0.000 4 0 no 0.011 0 0
1 185 TYR QB 141 no 100.0 100.0 2.477 2.477 0.000 2 0 no 0.000 0 0
1 186 LYS QB 47 no 100.0 99.7 4.532 4.548 0.016 6 0 no 0.126 0 0
1 186 LYS QE 140 no 85.0 99.9 1.821 1.822 0.001 2 0 no 0.097 0 0
1 186 LYS QG 102 no 100.0 99.5 1.398 1.405 0.007 3 0 no 0.168 0 0
1 187 PHE QB 75 no 100.0 100.0 1.701 1.701 0.000 5 1 no 0.006 0 0
1 188 GLU QB 184 no 100.0 100.0 1.089 1.089 0.000 2 1 no 0.000 0 0
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