NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518544 |
2lfc   |
17747 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lfc
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 208
_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 0.431
_Stereo_assign_list.Total_e_high_states 426.044
_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 3 GLU QB 180 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.097 0 0
1 3 GLU QG 182 no 0.0 0.0 0.000 0.006 0.006 4 4 no 0.160 0 0
1 4 PRO QB 183 no 95.0 100.0 1.328 1.328 0.001 3 0 no 0.082 0 0
1 4 PRO QD 82 no 100.0 98.9 0.749 0.758 0.008 14 6 no 0.160 0 0
1 5 GLY QA 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 VAL QG 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 8 LYS QD 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 8 LYS QG 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 LEU QD 73 no 100.0 99.5 1.650 1.658 0.008 14 0 no 0.143 0 0
1 12 TYR QB 179 no 85.0 100.0 0.605 0.605 0.000 4 2 no 0.061 0 0
1 14 SER QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 LYS QB 101 no 100.0 99.8 0.192 0.193 0.000 11 5 no 0.059 0 0
1 15 LYS QD 116 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 15 LYS QE 102 no 100.0 98.8 0.081 0.082 0.001 11 7 no 0.068 0 0
1 15 LYS QG 46 no 80.0 99.4 0.198 0.200 0.001 18 6 no 0.105 0 0
1 16 GLN QB 148 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 16 GLN QE 178 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 19 ASP QB 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 MET QB 108 no 90.0 100.0 0.118 0.118 0.000 10 0 no 0.000 0 0
1 20 MET QG 120 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 23 ILE QG 85 no 100.0 99.4 0.368 0.370 0.002 13 5 no 0.157 0 0
1 24 TYR QB 90 no 10.0 99.6 0.004 0.004 0.000 12 4 no 0.017 0 0
1 25 VAL QG 7 no 100.0 100.0 14.842 14.848 0.007 44 10 no 0.125 0 0
1 26 ASN QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 ASN QD 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 28 LYS QB 69 no 100.0 100.0 1.668 1.669 0.001 15 7 no 0.071 0 0
1 28 LYS QD 91 no 100.0 99.9 0.516 0.516 0.000 12 7 no 0.083 0 0
1 28 LYS QE 128 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 28 LYS QG 52 no 100.0 98.3 0.060 0.061 0.001 17 9 no 0.079 0 0
1 29 GLY QA 126 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 30 ASP QB 140 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.190 0 0
1 32 ILE QG 97 no 100.0 100.0 0.240 0.240 0.000 11 3 no 0.024 0 0
1 33 VAL QG 14 no 100.0 100.0 6.129 6.132 0.003 35 5 no 0.195 0 0
1 34 ASN QB 208 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 35 GLU QB 166 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.038 0 0
1 36 SER QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 ASN QB 165 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.043 0 0
1 38 VAL QG 83 no 100.0 100.0 4.423 4.423 0.000 13 0 no 0.053 0 0
1 42 PHE QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 ARG QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 ARG QD 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 ARG QG 147 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 44 ASN QB 146 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 44 ASN QD 119 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.009 0 0
1 46 ILE QG 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 47 LEU QB 100 no 100.0 100.0 0.520 0.520 0.000 11 4 no 0.069 0 0
1 47 LEU QD 18 no 100.0 100.0 18.723 18.727 0.004 30 10 no 0.141 0 0
1 48 LYS QB 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 48 LYS QG 137 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 49 GLN QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 ASP QB 207 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 52 LYS QD 112 no 45.0 97.5 0.118 0.121 0.003 10 2 no 0.145 0 0
1 52 LYS QE 149 no 0.0 0.0 0.000 0.001 0.001 6 6 no 0.100 0 0
1 52 LYS QG 125 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 53 VAL QG 9 no 100.0 99.8 13.738 13.760 0.022 43 9 no 0.284 0 0
1 55 TYR QB 77 no 35.0 100.0 0.047 0.047 0.000 14 4 no 0.000 0 0
1 56 LEU QB 65 no 70.0 100.0 0.048 0.048 0.000 15 4 no 0.000 0 0
1 56 LEU QD 12 no 100.0 99.9 2.940 2.942 0.002 39 7 no 0.168 0 0
1 57 VAL QG 6 no 100.0 100.0 20.465 20.467 0.002 49 13 no 0.157 0 0
1 58 MET QB 38 no 100.0 99.7 0.873 0.876 0.003 19 2 no 0.190 0 0
1 58 MET QG 107 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.092 0 0
1 59 ASP QB 136 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.037 0 0
1 60 GLU QB 106 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.027 0 0
1 60 GLU QG 20 no 100.0 99.4 0.609 0.612 0.003 26 9 no 0.163 0 0
1 61 ARG QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 ARG QD 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 ARG QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 TRP QB 72 no 90.0 100.0 0.664 0.664 0.000 14 0 no 0.000 0 0
1 64 LYS QB 131 no 100.0 99.4 1.365 1.373 0.008 7 3 no 0.130 0 0
1 64 LYS QD 44 no 100.0 99.6 3.829 3.843 0.014 19 10 no 0.189 0 0
1 64 LYS QE 71 no 100.0 99.6 1.785 1.793 0.008 15 9 no 0.130 0 0
1 64 LYS QG 35 no 100.0 99.4 0.645 0.648 0.004 20 9 no 0.123 0 0
1 65 LYS QB 86 no 100.0 100.0 1.352 1.352 0.000 13 6 no 0.000 0 0
1 65 LYS QD 130 no 100.0 99.9 0.908 0.909 0.001 7 2 no 0.094 0 0
1 65 LYS QE 127 no 95.0 94.3 0.126 0.134 0.008 8 6 no 0.269 0 0
1 65 LYS QG 84 no 100.0 100.0 1.512 1.513 0.000 13 5 no 0.076 0 0
1 66 VAL QG 8 no 100.0 100.0 17.056 17.058 0.002 43 6 no 0.110 0 0
1 67 TYR QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 68 ASP QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 LEU QB 29 no 100.0 99.9 1.748 1.751 0.003 22 7 no 0.148 0 0
1 69 LEU QD 13 no 100.0 100.0 21.644 21.645 0.001 37 11 no 0.086 0 0
1 70 LEU QB 39 no 45.0 93.5 0.023 0.025 0.002 19 5 no 0.090 0 0
1 70 LEU QD 17 no 100.0 100.0 8.095 8.095 0.000 32 5 no 0.064 0 0
1 71 ILE QG 93 no 100.0 100.0 1.178 1.178 0.000 11 0 no 0.047 0 0
1 72 LEU QB 81 no 100.0 100.0 0.833 0.833 0.000 14 6 no 0.000 0 0
1 72 LEU QD 61 no 100.0 99.9 5.725 5.729 0.004 16 7 no 0.099 0 0
1 73 HIS QB 145 no 95.0 99.9 0.081 0.082 0.000 6 2 no 0.039 0 0
1 74 ASP QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 PHE QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 77 PRO QB 135 no 100.0 100.0 0.415 0.415 0.000 6 0 no 0.000 0 0
1 77 PRO QD 105 no 100.0 99.5 0.679 0.682 0.004 10 0 no 0.174 0 0
1 77 PRO QG 109 no 100.0 99.6 1.644 1.650 0.006 10 1 no 0.182 0 0
1 78 GLU QB 96 no 95.0 100.0 0.024 0.024 0.000 11 3 no 0.000 0 0
1 78 GLU QG 68 no 100.0 99.6 1.129 1.133 0.005 15 6 no 0.182 0 0
1 79 GLU QB 75 no 95.0 99.9 0.773 0.774 0.001 14 2 no 0.087 0 0
1 79 GLU QG 111 no 15.0 100.0 0.012 0.012 0.000 10 2 no 0.000 0 0
1 80 ILE QG 45 no 60.0 99.7 0.031 0.031 0.000 18 2 no 0.044 0 0
1 81 LYS QB 122 no 100.0 100.0 0.249 0.249 0.000 8 2 no 0.000 0 0
1 81 LYS QD 80 no 100.0 99.2 2.181 2.199 0.018 14 6 no 0.268 0 0
1 81 LYS QG 67 no 100.0 100.0 0.120 0.120 0.000 15 6 no 0.000 0 0
1 82 SER QB 206 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 83 PHE QB 94 no 100.0 99.8 0.827 0.828 0.001 11 1 no 0.094 0 0
1 84 PHE QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 GLU QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 GLU QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 ASN QB 177 no 100.0 0.0 0.000 0.002 0.002 4 2 no 0.131 0 0
1 86 ASN QD 160 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.114 0 0
1 87 LYS QG 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 89 LYS QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 89 LYS QD 190 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.106 0 0
1 89 LYS QE 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 LYS QG 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 ARG QB 176 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.014 0 0
1 90 ARG QD 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 ARG QG 124 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.099 0 0
1 91 PRO QB 175 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.032 0 0
1 91 PRO QD 62 no 40.0 95.8 0.012 0.012 0.001 16 8 no 0.099 0 0
1 91 PRO QG 132 no 90.0 99.6 0.684 0.686 0.002 7 4 no 0.107 0 0
1 92 VAL QG 34 no 100.0 100.0 9.679 9.679 0.000 20 2 no 0.041 0 0
1 94 VAL QG 5 no 100.0 100.0 15.175 15.181 0.006 50 15 no 0.171 0 0
1 95 LYS QB 25 no 5.0 100.0 0.001 0.001 0.000 23 7 no 0.000 0 0
1 95 LYS QD 30 no 100.0 100.0 0.959 0.959 0.000 22 8 no 0.076 0 0
1 95 LYS QE 47 no 100.0 99.9 0.117 0.117 0.000 18 11 no 0.049 0 0
1 95 LYS QG 41 no 100.0 100.0 0.261 0.261 0.000 19 7 no 0.000 0 0
1 96 GLY QA 70 no 100.0 100.0 1.197 1.197 0.000 15 8 no 0.000 0 0
1 97 SER QB 104 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 98 LEU QB 99 no 100.0 100.0 0.071 0.071 0.000 11 4 no 0.000 0 0
1 98 LEU QD 3 no 100.0 100.0 20.885 20.886 0.001 59 19 no 0.083 0 0
1 99 GLU QB 95 no 100.0 100.0 2.697 2.698 0.001 11 3 no 0.066 0 0
1 99 GLU QG 121 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 100 SER QB 28 no 100.0 99.5 1.368 1.375 0.007 22 7 no 0.118 0 0
1 103 GLU QB 118 no 100.0 100.0 0.489 0.489 0.000 9 3 no 0.000 0 0
1 103 GLU QG 40 no 100.0 99.2 1.626 1.639 0.013 19 7 no 0.171 0 0
1 104 GLN QB 50 no 100.0 100.0 0.368 0.368 0.000 17 6 no 0.000 0 0
1 104 GLN QE 19 no 100.0 98.5 0.088 0.089 0.001 27 14 no 0.073 0 0
1 104 GLN QG 49 no 100.0 99.6 0.389 0.391 0.002 17 6 no 0.118 0 0
1 107 ILE QG 88 no 100.0 100.0 0.083 0.083 0.000 12 0 no 0.000 0 0
1 108 VAL QG 10 no 100.0 100.0 39.428 39.434 0.006 40 18 no 0.126 0 0
1 109 VAL QG 15 no 100.0 100.0 11.708 11.710 0.002 33 10 no 0.115 0 0
1 110 ASP QB 79 no 100.0 100.0 0.905 0.905 0.000 14 5 no 0.020 0 0
1 111 GLU QB 113 no 100.0 100.0 2.523 2.523 0.000 10 3 no 0.000 0 0
1 111 GLU QG 115 no 100.0 99.8 0.686 0.687 0.001 10 4 no 0.099 0 0
1 112 LEU QB 31 no 100.0 100.0 1.115 1.115 0.000 22 9 no 0.000 0 0
1 112 LEU QD 11 no 100.0 99.9 11.125 11.139 0.013 39 7 no 0.218 0 0
1 113 VAL QG 16 no 100.0 100.0 35.791 35.792 0.001 33 15 no 0.088 0 0
1 114 GLN QB 33 no 100.0 98.5 0.982 0.997 0.015 21 12 no 0.207 0 0
1 114 GLN QE 27 no 100.0 99.6 1.135 1.139 0.004 23 16 no 0.160 0 0
1 114 GLN QG 36 no 100.0 100.0 1.806 1.806 0.000 20 12 no 0.023 0 0
1 116 VAL QG 4 no 100.0 100.0 21.542 21.542 0.000 55 14 no 0.006 0 0
1 117 LYS QB 123 no 100.0 100.0 0.653 0.653 0.000 8 4 no 0.000 0 0
1 117 LYS QD 63 no 100.0 100.0 0.319 0.319 0.000 16 10 no 0.000 0 0
1 117 LYS QE 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 117 LYS QG 43 no 100.0 100.0 1.031 1.032 0.000 19 9 no 0.068 0 0
1 118 ASN QB 98 no 80.0 100.0 0.269 0.269 0.000 11 4 no 0.007 0 0
1 118 ASN QD 32 no 100.0 99.7 2.402 2.409 0.008 21 11 no 0.192 0 0
1 119 TYR QB 110 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 120 GLN QB 54 no 95.0 100.0 0.762 0.762 0.000 17 11 no 0.068 0 0
1 120 GLN QE 26 no 55.0 94.6 0.246 0.260 0.014 23 16 no 0.186 0 0
1 120 GLN QG 23 no 100.0 99.3 0.316 0.318 0.002 24 11 no 0.168 0 0
1 121 GLY QA 87 no 100.0 100.0 0.453 0.453 0.000 13 9 no 0.000 0 0
1 122 TYR QB 74 no 100.0 100.0 0.363 0.363 0.000 14 1 no 0.000 0 0
1 123 VAL QG 1 no 100.0 99.9 10.526 10.531 0.005 63 30 no 0.178 0 0
1 124 GLN QB 92 no 100.0 99.9 0.615 0.615 0.000 12 8 no 0.063 0 0
1 124 GLN QE 129 no 100.0 100.0 0.107 0.107 0.000 8 8 no 0.000 0 0
1 124 GLN QG 53 no 100.0 99.7 3.870 3.881 0.011 17 10 no 0.190 0 0
1 125 ASP QB 58 no 100.0 99.6 2.222 2.230 0.008 16 4 no 0.142 0 0
1 126 GLY QA 181 no 100.0 0.0 0.000 0.001 0.001 4 4 no 0.065 0 0
1 127 HIS QB 144 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.048 0 0
1 128 ASP QB 57 no 95.0 99.9 0.705 0.705 0.000 16 4 no 0.089 0 0
1 129 HIS QB 64 no 100.0 95.2 0.138 0.145 0.007 15 1 no 0.228 0 0
1 130 ASP QB 156 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.244 0 0
1 131 PHE QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 133 ARG QB 143 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 133 ARG QD 174 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.038 0 0
1 133 ARG QG 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 134 ASP QB 51 no 90.0 90.3 0.085 0.094 0.009 17 9 no 0.280 0 0
1 135 PRO QB 78 no 95.0 99.6 0.941 0.945 0.004 14 5 no 0.165 0 0
1 135 PRO QD 173 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 135 PRO QG 117 no 100.0 99.9 2.957 2.959 0.002 10 5 no 0.089 0 0
1 136 LYS QB 59 no 100.0 99.3 2.527 2.544 0.017 16 5 no 0.264 0 0
1 136 LYS QD 114 no 100.0 99.6 1.774 1.781 0.007 10 4 no 0.280 0 0
1 136 LYS QE 66 no 100.0 98.7 1.795 1.819 0.024 15 5 no 0.431 0 0
1 136 LYS QG 89 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.041 0 0
1 137 TYR QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 138 LEU QB 42 no 100.0 99.7 0.703 0.705 0.002 19 9 no 0.098 0 0
1 138 LEU QD 2 no 100.0 100.0 28.232 28.238 0.006 61 21 no 0.178 0 0
1 139 HIS QB 172 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 140 GLN QB 37 no 100.0 98.8 0.799 0.808 0.010 20 14 no 0.147 0 0
1 140 GLN QE 21 no 100.0 99.7 3.152 3.162 0.010 25 16 no 0.190 0 0
1 140 GLN QG 24 no 100.0 99.5 1.108 1.114 0.006 24 12 no 0.186 0 0
1 141 PHE QB 55 no 80.0 99.8 0.217 0.217 0.000 16 2 no 0.066 0 0
1 142 GLU QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 142 GLU QG 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.058 0 0
1 144 GLU QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 GLU QG 153 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.235 0 0
1 146 PHE QB 48 no 95.0 100.0 0.141 0.141 0.000 17 4 no 0.000 0 0
1 147 TYR QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 148 ILE QG 56 no 100.0 100.0 0.517 0.517 0.000 16 3 no 0.000 0 0
1 149 ILE QG 76 no 75.0 100.0 0.045 0.045 0.000 14 3 no 0.000 0 0
1 150 GLU QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 150 GLU QG 60 no 80.0 100.0 0.329 0.329 0.000 16 6 no 0.012 0 0
1 151 GLN QB 103 no 40.0 99.3 0.127 0.127 0.001 10 0 no 0.113 0 0
1 151 GLN QG 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.078 0 0
1 152 ARG QB 171 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 152 ARG QD 170 no 100.0 0.0 0.000 0.009 0.009 4 2 no 0.276 0 0
1 152 ARG QG 142 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 153 LEU QD 22 no 100.0 100.0 2.371 2.371 0.000 24 2 no 0.031 0 0
1 154 GLU QG 133 no 100.0 0.0 0.000 0.006 0.006 6 0 no 0.212 0 0
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