NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603502 |
2nbr   |
25993 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2nbr
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 242
_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 0.122
_Stereo_assign_list.Total_e_high_states 111.795
_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 GLY QA 35 no 80.0 88.8 0.039 0.044 0.005 9 2 no 0.821 0 1
1 2 LYS QB 39 no 95.0 99.8 0.467 0.468 0.001 9 4 no 0.120 0 0
1 2 LYS QD 146 no 50.0 99.6 0.108 0.108 0.000 4 2 no 0.062 0 0
1 2 LYS QE 180 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 2 LYS QG 206 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.046 0 0
1 3 ILE QG 133 no 100.0 99.8 0.673 0.675 0.001 4 0 no 0.108 0 0
1 5 PHE QB 101 no 100.0 100.0 0.718 0.718 0.000 5 0 no 0.000 0 0
1 6 TYR QB 18 no 100.0 0.0 0.000 0.000 0.000 11 0 no 0.000 0 0
1 7 GLU QB 86 no 100.0 75.0 0.000 0.000 0.000 6 1 no 0.013 0 0
1 7 GLU QG 66 no 100.0 100.0 0.000 0.000 0.000 7 2 no 0.011 0 0
1 8 ASP QB 60 no 100.0 100.0 1.561 1.561 0.000 7 0 no 0.022 0 0
1 9 ARG QB 140 no 30.0 100.0 0.028 0.028 0.000 4 1 no 0.000 0 0
1 9 ARG QD 173 no 5.0 100.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 9 ARG QG 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 PHE QB 111 no 100.0 100.0 0.002 0.002 0.000 5 1 no 0.157 0 0
1 11 PHE QD 237 no 100.0 100.0 8.909 8.909 0.000 1 0 no 0.000 0 0
1 12 GLN QB 28 no 40.0 100.0 0.321 0.321 0.000 10 3 no 0.010 0 0
1 12 GLN QE 23 no 60.0 98.2 0.215 0.219 0.004 11 4 no 0.178 0 0
1 13 GLY QA 77 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 14 ARG QB 85 no 75.0 99.9 0.418 0.418 0.001 6 1 no 0.086 0 0
1 14 ARG QD 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 SER QB 76 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 16 TYR QB 164 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 17 GLU QB 59 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 21 ASP QB 132 no 15.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 23 PRO QB 236 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 23 PRO QD 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 PRO QG 235 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 24 ASN QB 84 no 100.0 100.0 0.382 0.382 0.000 6 1 no 0.021 0 0
1 24 ASN QD 93 no 100.0 99.9 0.879 0.880 0.001 6 3 no 0.075 0 0
1 25 LEU QB 44 no 100.0 100.0 0.000 0.000 0.000 8 0 no 0.040 0 0
1 25 LEU QD 45 no 95.0 99.9 0.334 0.334 0.000 8 1 no 0.059 0 0
1 26 GLN QB 177 no 80.0 100.0 0.004 0.004 0.000 3 2 no 0.000 0 0
1 26 GLN QE 117 no 65.0 99.8 0.602 0.603 0.001 5 5 no 0.091 0 0
1 26 GLN QG 214 no 100.0 100.0 0.001 0.001 0.000 2 2 no 0.075 0 0
1 27 PRO QD 234 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 27 PRO QG 233 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 28 TYR QB 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 29 PHE QB 163 no 100.0 100.0 0.151 0.151 0.000 3 0 no 0.000 0 0
1 30 SER QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 ARG QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 CYS QB 75 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.027 0 0
1 33 ASN QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 34 SER QB 19 no 100.0 99.6 0.647 0.650 0.003 11 1 no 0.116 0 0
1 35 ILE QG 162 no 100.0 98.2 0.208 0.212 0.004 3 0 no 0.142 0 0
1 36 ARG QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 VAL QG 2 no 100.0 100.0 1.063 1.063 0.000 27 4 no 0.000 0 0
1 38 GLU QB 161 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.058 0 0
1 38 GLU QG 232 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 39 SER QB 110 no 60.0 99.5 0.224 0.225 0.001 5 1 no 0.120 0 0
1 40 GLY QA 27 no 100.0 99.6 1.892 1.899 0.007 10 3 no 0.169 0 0
1 41 CYS QB 91 no 5.0 100.0 0.001 0.001 0.000 6 2 no 0.000 0 0
1 42 TRP QB 34 no 85.0 100.0 0.575 0.575 0.000 9 2 no 0.000 0 0
1 43 MET QB 109 no 45.0 99.9 0.044 0.044 0.000 5 1 no 0.025 0 0
1 43 MET QG 115 no 15.0 52.8 0.004 0.007 0.003 5 3 no 0.123 0 0
1 44 LEU QB 172 no 75.0 100.0 0.429 0.429 0.000 3 1 no 0.004 0 0
1 44 LEU QD 12 no 75.0 99.6 0.661 0.663 0.002 15 2 no 0.129 0 0
1 45 TYR QB 17 no 100.0 100.0 0.005 0.005 0.000 11 0 no 0.134 0 0
1 47 ARG QB 211 no 70.0 100.0 0.070 0.070 0.000 2 1 no 0.000 0 0
1 48 PRO QB 68 no 95.0 100.0 0.425 0.426 0.000 7 3 no 0.021 0 0
1 48 PRO QD 114 no 100.0 100.0 0.001 0.001 0.000 5 3 no 0.049 0 0
1 48 PRO QG 145 no 100.0 100.0 0.000 0.000 0.000 4 2 no 0.035 0 0
1 49 ASN QB 54 no 75.0 99.9 0.048 0.048 0.000 8 5 no 0.031 0 0
1 50 TYR QB 160 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 51 GLN QB 37 no 100.0 99.6 0.025 0.025 0.000 9 3 no 0.041 0 0
1 51 GLN QE 70 no 25.0 97.8 0.003 0.003 0.000 7 7 no 0.031 0 0
1 51 GLN QG 139 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 52 GLY QA 108 no 5.0 100.0 0.001 0.001 0.000 5 1 no 0.000 0 0
1 53 GLN QB 231 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.062 0 0
1 53 GLN QE 40 no 100.0 99.8 0.950 0.951 0.001 9 7 no 0.108 0 0
1 53 GLN QG 92 no 70.0 95.1 0.013 0.014 0.001 6 3 no 0.077 0 0
1 54 GLN QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 GLN QE 53 no 100.0 99.8 1.497 1.500 0.003 8 5 no 0.087 0 0
1 54 GLN QG 97 no 85.0 90.5 0.002 0.002 0.000 6 4 no 0.073 0 0
1 55 TYR QB 107 no 65.0 100.0 0.082 0.082 0.000 5 1 no 0.000 0 0
1 56 LEU QD 198 no 30.0 100.0 0.079 0.079 0.000 2 0 no 0.010 0 0
1 57 LEU QB 33 no 55.0 100.0 0.003 0.003 0.000 9 2 no 0.000 0 0
1 57 LEU QD 9 no 75.0 99.4 0.701 0.705 0.004 17 8 no 0.178 0 0
1 58 ARG QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 ARG QD 210 no 85.0 99.9 0.311 0.311 0.000 2 1 no 0.064 0 0
1 58 ARG QG 230 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 59 ARG QB 106 no 100.0 100.0 0.137 0.137 0.000 5 1 no 0.000 0 0
1 59 ARG QG 229 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 60 GLY QA 129 no 75.0 87.4 0.012 0.014 0.002 4 0 no 0.118 0 0
1 61 GLU QB 159 no 5.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 62 TYR QB 83 no 15.0 98.1 0.003 0.003 0.000 6 1 no 0.036 0 0
1 63 PRO QB 196 no 45.0 99.6 0.153 0.153 0.001 2 0 no 0.063 0 0
1 66 GLN QB 96 no 45.0 98.6 0.228 0.231 0.003 6 4 no 0.144 0 0
1 66 GLN QE 144 no 90.0 99.9 0.285 0.286 0.000 4 2 no 0.062 0 0
1 66 GLN QG 242 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 67 GLN QB 158 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 67 GLN QE 179 no 45.0 99.0 0.304 0.307 0.003 3 3 no 0.144 0 0
1 67 GLN QG 113 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 68 TRP QB 171 no 15.0 99.0 0.003 0.003 0.000 3 1 no 0.024 0 0
1 69 MET QG 228 no 55.0 100.0 0.160 0.160 0.000 1 0 no 0.000 0 0
1 70 GLY QA 74 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.158 0 0
1 71 LEU QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 LEU QD 65 no 60.0 98.7 0.157 0.159 0.002 7 2 no 0.137 0 0
1 76 ARG QB 105 no 100.0 100.0 1.307 1.307 0.000 5 1 no 0.049 0 0
1 76 ARG QD 178 no 10.0 98.1 0.068 0.069 0.001 3 3 no 0.091 0 0
1 76 ARG QG 227 no 100.0 100.0 0.059 0.059 0.000 1 0 no 0.000 0 0
1 77 SER QB 58 no 65.0 100.0 0.028 0.028 0.000 7 0 no 0.000 0 0
1 78 CYS QB 82 no 5.0 51.0 0.000 0.001 0.000 6 1 no 0.059 0 0
1 79 CYS QB 43 no 85.0 99.6 0.085 0.085 0.000 8 0 no 0.079 0 0
1 80 LEU QB 157 no 5.0 100.0 0.006 0.006 0.000 3 0 no 0.000 0 0
1 80 LEU QD 10 no 100.0 97.6 0.393 0.403 0.010 16 4 no 0.169 0 0
1 82 PRO QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 GLN QB 156 no 10.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 83 GLN QE 52 no 80.0 99.5 0.179 0.180 0.001 8 5 no 0.111 0 0
1 83 GLN QG 170 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 85 VAL QG 128 no 45.0 100.0 0.078 0.078 0.000 4 0 no 0.000 0 0
1 86 SER QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 HIS QB 25 no 35.0 99.5 0.027 0.027 0.000 10 1 no 0.052 0 0
1 88 ARG QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 ARG QD 176 no 85.0 98.7 0.237 0.240 0.003 3 2 no 0.181 0 0
1 88 ARG QG 169 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 89 LEU QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 LEU QD 51 no 100.0 100.0 2.414 2.415 0.000 8 3 no 0.071 0 0
1 90 ARG QB 36 no 80.0 99.5 0.092 0.093 0.000 9 3 no 0.060 0 0
1 90 ARG QG 241 no 100.0 100.0 0.000 0.000 0.000 1 1 no 0.063 0 0
1 91 LEU QB 81 no 5.0 100.0 0.003 0.003 0.000 6 1 no 0.000 0 0
1 91 LEU QD 38 no 100.0 100.0 3.147 3.147 0.000 9 4 no 0.085 0 0
1 92 TYR QB 42 no 100.0 100.0 0.116 0.116 0.000 8 0 no 0.000 0 0
1 92 TYR QD 213 no 100.0 100.0 22.071 22.071 0.000 2 2 no 0.056 0 0
1 93 GLU QB 138 no 35.0 100.0 0.005 0.005 0.000 4 1 no 0.000 0 0
1 93 GLU QG 137 no 5.0 99.3 0.056 0.056 0.000 4 1 no 0.087 0 0
1 94 ARG QB 127 no 100.0 100.0 0.496 0.496 0.000 4 0 no 0.014 0 0
1 94 ARG QD 226 no 15.0 100.0 0.014 0.014 0.000 1 0 no 0.000 0 0
1 95 GLU QB 148 no 65.0 100.0 0.277 0.277 0.000 4 3 no 0.009 0 0
1 95 GLU QG 50 no 50.0 100.0 0.271 0.271 0.000 8 3 no 0.000 0 0
1 96 ASP QB 168 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 97 HIS QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 98 LYS QB 126 no 10.0 100.0 0.011 0.011 0.000 4 0 no 0.000 0 0
1 99 GLY QA 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 LEU QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 MET QB 188 no 90.0 58.1 0.000 0.000 0.000 2 0 no 0.017 0 0
1 102 MET QB 155 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 102 MET QG 136 no 85.0 99.9 1.355 1.356 0.001 4 1 no 0.139 0 0
1 103 GLU QB 135 no 100.0 100.0 0.003 0.003 0.000 4 1 no 0.139 0 0
1 104 LEU QB 124 no 100.0 100.0 0.002 0.002 0.000 4 0 no 0.128 0 0
1 104 LEU QD 80 no 85.0 99.9 0.153 0.153 0.000 6 1 no 0.066 0 0
1 105 SER QB 225 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 106 GLU QB 175 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 106 GLU QG 174 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 107 ASP QB 79 no 100.0 100.0 1.383 1.383 0.000 6 1 no 0.041 0 0
1 108 CYS QB 209 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 109 PRO QD 224 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 110 SER QB 64 no 25.0 100.0 0.016 0.016 0.000 7 2 no 0.000 0 0
1 111 ILE QG 123 no 90.0 100.0 0.089 0.089 0.000 4 0 no 0.000 0 0
1 112 GLN QB 15 no 100.0 100.0 0.036 0.036 0.000 12 4 no 0.000 0 0
1 112 GLN QE 30 no 100.0 100.0 1.590 1.590 0.000 10 6 no 0.000 0 0
1 112 GLN QG 112 no 100.0 100.0 0.674 0.674 0.000 5 2 no 0.000 0 0
1 113 ASP QB 154 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 114 ARG QB 143 no 100.0 100.0 0.318 0.318 0.000 4 2 no 0.019 0 0
1 114 ARG QD 223 no 70.0 99.8 0.259 0.259 0.000 1 0 no 0.095 0 0
1 115 PHE QB 63 no 95.0 100.0 0.105 0.105 0.000 7 2 no 0.019 0 0
1 116 HIS QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 117 LEU QB 100 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 117 LEU QD 153 no 100.0 100.0 0.001 0.001 0.000 3 0 no 0.089 0 0
1 118 SER QB 186 no 80.0 100.0 0.030 0.030 0.000 2 0 no 0.000 0 0
1 119 GLU QB 185 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.033 0 0
1 119 GLU QG 222 no 65.0 100.0 0.218 0.218 0.000 1 0 no 0.000 0 0
1 120 ILE QG 240 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 121 ARG QB 73 no 20.0 100.0 0.075 0.075 0.000 6 0 no 0.000 0 0
1 121 ARG QD 221 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 122 SER QB 41 no 100.0 99.8 0.089 0.089 0.000 8 0 no 0.052 0 0
1 123 LEU QB 5 no 100.0 99.3 0.160 0.161 0.001 25 13 no 0.068 0 0
1 123 LEU QD 4 no 100.0 99.9 1.578 1.579 0.001 25 13 no 0.078 0 0
1 124 HIS QB 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 125 VAL QG 7 no 100.0 99.9 2.599 2.600 0.002 21 6 no 0.110 0 0
1 126 LEU QB 121 no 85.0 100.0 0.160 0.160 0.000 4 0 no 0.000 0 0
1 126 LEU QD 8 no 100.0 99.8 2.117 2.122 0.005 19 9 no 0.193 0 0
1 127 GLU QB 57 no 65.0 97.2 0.114 0.117 0.003 7 0 no 0.138 0 0
1 127 GLU QG 104 no 25.0 97.8 0.260 0.266 0.006 5 1 no 0.193 0 0
1 128 GLY QA 31 no 100.0 99.9 0.320 0.320 0.000 9 0 no 0.076 0 0
1 129 CYS QB 99 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 130 TRP QB 72 no 25.0 100.0 0.004 0.004 0.000 6 0 no 0.000 0 0
1 131 VAL QG 6 no 100.0 100.0 1.506 1.506 0.000 23 9 no 0.000 0 0
1 132 LEU QB 67 no 20.0 78.0 0.004 0.005 0.001 7 3 no 0.123 0 0
1 132 LEU QD 14 no 40.0 99.7 0.008 0.008 0.000 12 4 no 0.020 0 0
1 133 TYR QB 16 no 100.0 100.0 0.464 0.464 0.000 11 0 no 0.000 0 0
1 134 GLU QB 120 no 100.0 100.0 1.988 1.989 0.000 4 0 no 0.092 0 0
1 135 LEU QB 220 no 95.0 100.0 0.107 0.107 0.000 1 0 no 0.000 0 0
1 136 PRO QB 119 no 95.0 100.0 0.998 0.998 0.000 4 0 no 0.000 0 0
1 136 PRO QG 90 no 80.0 99.9 0.478 0.479 0.000 6 2 no 0.070 0 0
1 137 ASN QB 78 no 100.0 100.0 0.003 0.003 0.000 6 1 no 0.116 0 0
1 138 TYR QB 152 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 139 ARG QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 ARG QD 239 no 90.0 5.4 0.000 0.001 0.001 1 1 no 0.116 0 0
1 139 ARG QG 183 no 100.0 100.0 0.004 0.004 0.000 2 0 no 0.150 0 0
1 140 GLY QA 32 no 100.0 100.0 0.529 0.529 0.000 9 2 no 0.053 0 0
1 141 ARG QB 47 no 15.0 99.6 0.095 0.095 0.000 8 2 no 0.075 0 0
1 141 ARG QD 147 no 5.0 100.0 0.045 0.045 0.000 4 3 no 0.000 0 0
1 141 ARG QG 142 no 100.0 100.0 0.394 0.394 0.000 4 2 no 0.000 0 0
1 142 GLN QB 103 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 142 GLN QG 151 no 5.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 143 TYR QB 49 no 100.0 0.0 0.000 0.000 0.000 8 3 no 0.000 0 0
1 144 LEU QB 116 no 80.0 99.1 0.360 0.363 0.003 5 4 no 0.123 0 0
1 144 LEU QD 22 no 100.0 100.0 4.345 4.346 0.001 11 4 no 0.083 0 0
1 145 LEU QB 95 no 30.0 99.9 0.223 0.223 0.000 6 4 no 0.073 0 0
1 145 LEU QD 1 no 100.0 100.0 8.098 8.099 0.001 32 19 no 0.093 0 0
1 146 ARG QB 208 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 147 PRO QB 219 no 75.0 100.0 0.206 0.206 0.000 1 0 no 0.000 0 0
1 147 PRO QG 218 no 40.0 100.0 0.050 0.050 0.000 1 0 no 0.000 0 0
1 148 GLN QB 134 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 148 GLN QE 55 no 80.0 99.3 0.112 0.112 0.001 8 7 no 0.091 0 0
1 148 GLN QG 94 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 149 GLU QB 217 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 150 TYR QB 141 no 5.0 100.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 151 ARG QB 167 no 60.0 100.0 0.170 0.170 0.000 3 1 no 0.000 0 0
1 151 ARG QG 216 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 152 ARG QB 26 no 75.0 80.3 0.012 0.015 0.003 10 3 no 0.140 0 0
1 152 ARG QD 166 no 100.0 93.2 0.001 0.001 0.000 3 1 no 0.107 0 0
1 152 ARG QG 89 no 95.0 94.7 0.001 0.001 0.000 6 2 no 0.122 0 0
1 153 CYS QB 118 no 80.0 100.0 0.192 0.192 0.000 4 0 no 0.000 0 0
1 154 GLN QB 207 no 100.0 100.0 0.076 0.076 0.000 2 1 no 0.000 0 0
1 154 GLN QE 215 no 100.0 100.0 0.001 0.001 0.000 1 0 no 0.134 0 0
1 154 GLN QG 182 no 15.0 100.0 0.003 0.003 0.000 2 0 no 0.000 0 0
1 155 ASP QB 24 no 90.0 96.7 0.049 0.051 0.002 11 5 no 0.122 0 0
1 156 TRP QB 29 no 95.0 100.0 0.705 0.705 0.000 10 6 no 0.000 0 0
1 157 GLY QA 71 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 159 MET QB 150 no 50.0 100.0 0.011 0.011 0.000 3 0 no 0.000 0 0
1 160 ASP QB 149 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.033 0 0
1 162 LYS QB 181 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.047 0 0
1 162 LYS QD 212 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 162 LYS QE 238 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 162 LYS QG 102 no 85.0 99.6 0.236 0.237 0.001 5 1 no 0.094 0 0
1 164 GLY QA 98 no 100.0 100.0 0.608 0.608 0.000 5 0 no 0.000 0 0
1 165 SER QB 56 no 15.0 100.0 0.024 0.024 0.000 7 0 no 0.000 0 0
1 166 LEU QB 20 no 100.0 100.0 0.418 0.418 0.000 11 2 no 0.000 0 0
1 166 LEU QD 13 no 65.0 100.0 0.354 0.354 0.000 13 5 no 0.038 0 0
1 167 ARG QB 48 no 100.0 99.6 0.550 0.552 0.002 8 3 no 0.133 0 0
1 167 ARG QD 69 no 30.0 99.5 0.058 0.058 0.000 7 6 no 0.064 0 0
1 167 ARG QG 11 no 60.0 99.6 0.056 0.056 0.000 16 10 no 0.056 0 0
1 168 ARG QB 61 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 168 ARG QG 165 no 30.0 100.0 0.094 0.094 0.000 3 1 no 0.000 0 0
1 169 VAL QG 3 no 100.0 100.0 13.896 13.900 0.004 25 4 no 0.149 0 0
1 170 VAL QG 21 no 90.0 100.0 0.270 0.271 0.000 11 3 no 0.023 0 0
1 171 ASP QB 62 no 100.0 99.8 0.348 0.349 0.001 7 2 no 0.084 0 0
1 172 LEU QB 46 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 172 LEU QD 88 no 15.0 100.0 0.005 0.005 0.000 6 2 no 0.001 0 0
1 173 TYR QB 87 no 100.0 99.9 1.150 1.151 0.001 6 2 no 0.091 0 0
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