NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
639985 |
6i9f   |
18632 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6i9f
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 209
_Stereo_assign_list.Swap_count 32
_Stereo_assign_list.Swap_percentage 15.3
_Stereo_assign_list.Deassign_count 32
_Stereo_assign_list.Deassign_percentage 15.3
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 49.184
_Stereo_assign_list.Total_e_high_states 233.133
_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 12 SER QB 209 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 13 LYS QB 107 no 70.0 78.7 0.288 0.367 0.078 15 11 no 0.665 0 2
1 13 LYS QD 173 no 90.0 21.8 0.015 0.068 0.053 8 8 no 0.665 0 2
1 13 LYS QE 181 no 45.0 10.0 0.003 0.028 0.025 7 7 no 0.000 0 0
1 13 LYS QG 138 no 85.0 51.5 0.417 0.810 0.393 12 6 no 0.701 0 1
1 15 LEU QB 136 no 100.0 25.5 0.039 0.153 0.114 12 5 no 0.000 0 0
1 15 LEU QD 3 yes 100.0 93.9 13.569 14.447 0.879 64 45 yes 1.502 1 2
1 16 PRO QB 74 yes 95.0 100.0 0.109 0.109 0.000 19 11 no 0.019 0 0
1 16 PRO QD 19 no 95.0 81.0 1.034 1.276 0.242 30 20 no 0.000 0 0
1 16 PRO QG 76 no 70.0 92.2 0.387 0.419 0.033 19 13 no 0.026 0 0
1 18 LYS QB 208 no 10.0 1.1 0.000 0.014 0.014 1 1 no 0.000 0 0
1 18 LYS QD 190 no 10.0 18.9 0.000 0.002 0.002 5 5 no 0.142 0 0
1 18 LYS QG 132 no 75.0 22.7 0.002 0.007 0.005 12 1 no 0.225 0 0
1 19 PHE QB 36 no 85.0 26.5 0.085 0.323 0.238 24 14 no 0.000 0 0
1 20 LEU QB 28 no 100.0 88.7 0.079 0.090 0.010 26 12 no 0.282 0 0
1 20 LEU QD 2 no 100.0 93.8 25.933 27.643 1.710 65 32 no 0.747 0 9
1 21 GLY QA 134 no 85.0 40.5 0.026 0.064 0.038 12 3 no 0.536 0 1
1 23 PHE QB 58 no 80.0 9.8 0.042 0.428 0.386 21 13 no 0.824 0 8
1 24 LYS QB 71 no 65.0 72.7 0.076 0.104 0.028 19 10 no 0.401 0 0
1 24 LYS QE 207 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 24 LYS QG 91 no 55.0 45.4 0.827 1.821 0.995 17 12 yes 1.518 3 15
1 25 LEU QB 39 no 95.0 7.7 0.001 0.012 0.011 23 14 no 0.354 0 0
1 25 LEU QD 7 no 85.0 83.3 5.497 6.595 1.098 42 19 yes 1.176 7 28
1 26 GLU QB 56 yes 100.0 98.2 0.183 0.186 0.003 21 10 no 0.236 0 0
1 26 GLU QG 126 no 50.0 71.0 0.004 0.006 0.002 13 9 no 0.171 0 0
1 27 ARG QB 186 no 5.0 32.8 0.000 0.001 0.000 5 2 no 0.075 0 0
1 27 ARG QG 110 no 100.0 99.5 1.249 1.256 0.007 14 1 no 0.171 0 0
1 29 GLU QG 171 no 30.0 30.6 0.058 0.190 0.132 8 2 yes 1.075 1 4
1 30 ASN QB 87 no 20.0 99.2 0.032 0.032 0.000 17 7 no 0.073 0 0
1 30 ASN QD 23 no 100.0 100.0 0.319 0.319 0.000 28 15 no 0.000 0 0
1 31 PHE QB 165 no 55.0 27.3 0.004 0.014 0.011 9 4 no 0.386 0 0
1 33 GLU QB 89 no 5.0 100.0 0.000 0.000 0.000 17 8 no 0.000 0 0
1 33 GLU QG 131 no 55.0 19.0 0.012 0.061 0.049 12 1 no 0.304 0 0
1 34 TYR QB 8 no 85.0 64.7 0.055 0.085 0.030 40 18 no 0.355 0 0
1 35 LEU QB 21 no 80.0 79.9 0.015 0.019 0.004 30 22 no 0.367 0 0
1 35 LEU QD 4 yes 100.0 99.8 11.646 11.674 0.028 63 19 no 0.330 0 0
1 36 LYS QB 125 no 70.0 46.0 0.014 0.030 0.016 13 6 no 0.598 0 1
1 36 LYS QE 198 no 80.0 57.5 0.002 0.004 0.002 3 3 no 0.164 0 0
1 36 LYS QG 118 no 95.0 99.0 0.033 0.034 0.000 14 9 no 0.053 0 0
1 38 ARG QB 13 no 55.0 86.7 0.030 0.035 0.005 33 12 no 0.303 0 0
1 38 ARG QG 31 yes 95.0 79.3 0.147 0.186 0.038 25 11 no 0.662 0 1
1 39 GLY QA 129 no 70.0 100.0 0.002 0.002 0.000 12 0 no 0.000 0 0
1 40 TYR QB 65 no 100.0 0.0 0.000 0.000 0.000 20 12 no 0.000 0 0
1 41 GLY QA 191 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 42 TRP QB 151 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 43 ILE QG 50 no 60.0 28.7 0.297 1.035 0.738 21 0 yes 1.338 12 12
1 44 MET QB 94 no 100.0 100.0 0.023 0.023 0.000 16 4 no 0.524 0 1
1 44 MET QG 38 no 70.0 54.9 0.579 1.054 0.475 23 11 no 0.824 0 9
1 45 ARG QB 176 no 25.0 19.5 0.008 0.040 0.032 7 2 no 0.317 0 0
1 45 ARG QD 37 yes 95.0 81.7 0.302 0.370 0.068 24 22 no 0.386 0 0
1 45 ARG QG 109 no 40.0 8.0 0.015 0.183 0.168 15 12 no 0.598 0 1
1 46 GLN QB 164 yes 95.0 62.5 0.131 0.210 0.079 9 3 no 0.418 0 0
1 46 GLN QE 73 no 80.0 22.1 0.010 0.047 0.037 19 11 no 0.650 0 1
1 46 GLN QG 163 no 55.0 89.9 0.102 0.114 0.011 9 3 no 0.364 0 0
1 47 VAL QG 9 yes 95.0 88.0 3.316 3.768 0.452 40 19 no 0.824 0 10
1 48 ILE QG 130 no 5.0 100.0 0.007 0.007 0.000 12 1 no 0.000 0 0
1 49 LYS QB 169 no 75.0 42.9 0.040 0.092 0.053 9 7 no 0.598 0 1
1 49 LYS QD 184 no 85.0 15.9 0.008 0.048 0.040 6 5 no 0.650 0 2
1 49 LYS QE 148 no 90.0 72.4 0.047 0.065 0.018 11 8 no 0.776 0 2
1 49 LYS QG 144 no 10.0 21.9 0.004 0.020 0.016 11 6 no 0.346 0 0
1 50 LEU QB 81 yes 75.0 59.3 0.124 0.208 0.085 18 7 no 0.494 0 0
1 50 LEU QD 139 no 65.0 39.9 1.099 2.757 1.658 12 10 yes 1.301 2 27
1 52 GLY QA 111 no 100.0 81.1 0.742 0.915 0.173 14 2 no 0.459 0 0
1 53 VAL QG 10 yes 80.0 75.5 0.697 0.923 0.226 38 23 no 0.986 0 3
1 55 LYS QB 194 no 15.0 49.7 0.001 0.001 0.001 4 4 no 0.000 0 0
1 55 LYS QD 25 no 85.0 69.9 0.769 1.099 0.330 27 17 yes 1.451 1 4
1 55 LYS QE 64 no 85.0 24.6 0.022 0.090 0.068 20 11 no 0.611 0 1
1 55 LYS QG 119 no 100.0 0.0 0.000 0.000 0.000 14 10 no 0.000 0 0
1 56 LYS QB 49 no 25.0 97.6 0.028 0.028 0.001 22 18 no 0.064 0 0
1 56 LYS QD 147 no 45.0 18.9 0.045 0.239 0.194 11 8 yes 1.272 2 4
1 56 LYS QE 197 no 45.0 72.8 0.069 0.094 0.026 3 3 no 0.425 0 0
1 56 LYS QG 154 no 20.0 71.6 0.036 0.051 0.014 10 4 no 0.266 0 0
1 57 PHE QB 12 yes 100.0 99.5 0.803 0.807 0.004 33 11 no 0.062 0 0
1 58 ARG QB 86 no 75.0 69.7 0.015 0.022 0.007 17 6 no 0.167 0 0
1 58 ARG QG 206 no 10.0 0.8 0.001 0.067 0.066 1 1 no 0.000 0 0
1 59 ASN QB 55 no 85.0 81.4 0.816 1.002 0.186 21 9 yes 1.160 3 3
1 59 ASN QD 42 no 70.0 28.3 0.059 0.207 0.148 23 15 no 0.747 0 9
1 62 SER QB 156 no 50.0 39.4 0.225 0.571 0.346 10 5 yes 1.109 3 9
1 63 GLY QA 174 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 64 LYS QB 145 yes 95.0 77.1 1.417 1.839 0.422 11 7 yes 1.480 4 6
1 64 LYS QD 189 no 75.0 14.3 0.006 0.044 0.038 5 5 no 0.382 0 0
1 65 PRO QB 141 no 100.0 100.0 0.000 0.000 0.000 11 4 no 0.008 0 0
1 65 PRO QD 117 no 55.0 81.7 0.497 0.608 0.111 14 8 no 0.917 0 3
1 66 ASP QB 153 no 55.0 47.4 0.018 0.037 0.019 10 4 no 0.428 0 0
1 67 ARG QB 113 no 70.0 2.6 0.002 0.064 0.062 14 4 yes 1.095 1 1
1 67 ARG QD 180 no 30.0 54.2 0.046 0.084 0.039 7 5 no 0.488 0 0
1 67 ARG QG 103 no 85.0 59.6 0.026 0.043 0.018 15 7 no 0.415 0 0
1 68 TYR QB 61 no 85.0 50.0 0.003 0.007 0.003 20 7 no 0.167 0 0
1 69 ASP QB 67 no 95.0 16.3 0.004 0.025 0.021 19 5 no 0.425 0 0
1 70 MET QB 51 no 100.0 0.0 0.000 0.000 0.000 21 5 no 0.000 0 0
1 70 MET QG 32 no 70.0 38.2 0.262 0.685 0.423 25 17 yes 1.163 3 6
1 71 GLU QB 122 no 5.0 100.0 0.000 0.000 0.000 14 11 no 0.000 0 0
1 72 ASN QB 27 no 70.0 66.5 0.090 0.135 0.045 26 12 no 0.649 0 2
1 72 ASN QD 46 no 100.0 96.2 0.450 0.468 0.018 22 10 no 0.274 0 0
1 73 LEU QB 53 no 55.0 70.4 0.036 0.052 0.015 21 7 no 0.218 0 0
1 73 LEU QD 121 no 70.0 43.5 3.358 7.712 4.354 14 11 yes 2.433 16 17
1 76 LYS QB 135 no 85.0 94.2 0.063 0.067 0.004 12 4 no 0.659 0 1
1 76 LYS QE 188 no 60.0 8.5 0.016 0.194 0.177 5 4 no 0.824 0 8
1 77 LYS QB 83 no 75.0 86.8 0.085 0.098 0.013 18 10 no 0.896 0 2
1 77 LYS QD 116 no 85.0 51.8 0.097 0.188 0.091 14 8 no 0.805 0 7
1 77 LYS QE 84 yes 90.0 33.7 0.139 0.412 0.273 18 13 no 0.824 0 10
1 77 LYS QG 66 no 55.0 60.3 0.126 0.209 0.083 20 16 no 0.659 0 1
1 78 ASP QB 93 no 50.0 31.7 1.180 3.719 2.539 16 4 yes 4.002 9 15
1 80 HIS QB 185 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 81 HIS QB 98 no 100.0 0.0 0.000 0.000 0.000 15 0 no 0.000 0 0
1 82 LYS QB 166 no 80.0 78.4 0.437 0.558 0.121 9 5 no 0.382 0 0
1 82 LYS QD 158 no 50.0 35.5 0.101 0.284 0.183 10 8 yes 1.111 1 5
1 82 LYS QE 143 no 80.0 66.9 3.404 5.090 1.686 11 5 yes 1.776 7 18
1 82 LYS QG 115 no 60.0 26.8 0.378 1.411 1.033 14 7 yes 1.472 10 30
1 83 ASP QB 123 no 75.0 16.7 0.004 0.026 0.022 13 3 no 0.673 0 1
1 84 TRP QB 112 no 80.0 96.6 0.030 0.031 0.001 14 3 no 0.081 0 0
1 86 LEU QB 97 no 30.0 31.3 0.000 0.001 0.001 16 10 no 0.036 0 0
1 86 LEU QD 16 no 85.0 88.4 13.446 15.216 1.770 32 14 yes 1.577 12 26
1 87 GLY QA 140 no 100.0 100.0 0.860 0.860 0.000 11 0 no 0.007 0 0
1 88 GLU QB 100 no 10.0 47.1 0.003 0.006 0.003 15 5 no 0.191 0 0
1 88 GLU QG 162 no 70.0 66.9 0.028 0.042 0.014 9 3 no 0.437 0 0
1 89 GLU QB 187 no 80.0 93.4 0.014 0.015 0.001 5 4 no 0.052 0 0
1 89 GLU QG 161 no 15.0 75.9 0.019 0.025 0.006 9 2 no 0.259 0 0
1 90 PHE QB 205 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 91 GLN QB 179 no 35.0 19.6 0.000 0.001 0.001 7 4 no 0.036 0 0
1 91 GLN QE 159 no 90.0 98.5 0.019 0.019 0.000 10 10 no 0.236 0 0
1 91 GLN QG 47 no 85.0 56.8 0.440 0.775 0.335 22 12 no 0.796 0 7
1 92 ASP QB 18 yes 100.0 99.9 1.567 1.568 0.002 30 5 no 0.083 0 0
1 93 GLU QB 196 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 93 GLU QG 60 no 60.0 25.9 0.071 0.273 0.203 21 16 no 0.796 0 7
1 95 LEU QB 105 no 85.0 76.4 0.053 0.069 0.016 15 9 no 0.659 0 1
1 95 LEU QD 22 yes 80.0 71.0 6.921 9.750 2.829 29 18 yes 2.365 19 40
1 96 ASP QB 124 no 80.0 88.1 0.331 0.376 0.045 13 4 no 0.649 0 2
1 97 SER QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 GLN QB 57 no 45.0 30.9 0.086 0.278 0.192 21 13 no 0.796 0 7
1 99 GLN QE 24 yes 95.0 91.7 0.207 0.226 0.019 27 3 no 0.360 0 0
1 100 HIS QB 204 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 101 LYS QB 102 no 65.0 81.4 1.294 1.590 0.296 15 6 yes 1.765 13 13
1 101 LYS QE 203 no 10.0 2.2 0.000 0.012 0.012 1 1 no 0.337 0 0
1 101 LYS QG 175 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 102 ILE QG 30 no 85.0 70.0 0.060 0.086 0.026 25 8 no 0.337 0 0
1 104 PHE QB 200 no 55.0 63.6 0.002 0.003 0.001 2 2 no 0.081 0 0
1 105 ASP QB 128 no 10.0 48.0 0.004 0.009 0.005 12 0 no 0.228 0 0
1 106 LEU QB 70 no 75.0 32.7 0.035 0.106 0.071 19 8 no 0.665 0 2
1 106 LEU QD 68 no 85.0 68.7 2.868 4.175 1.307 19 7 yes 1.954 6 14
1 107 LYS QB 82 no 70.0 67.0 0.077 0.115 0.038 18 9 no 0.496 0 0
1 107 LYS QD 202 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 107 LYS QE 201 no 30.0 13.8 0.001 0.006 0.005 1 1 no 0.234 0 0
1 107 LYS QG 178 no 90.0 2.5 0.000 0.012 0.012 7 4 no 0.119 0 0
1 108 ASP QB 75 yes 80.0 70.5 0.933 1.324 0.391 19 13 yes 1.364 4 4
1 109 PRO QB 168 no 100.0 99.1 0.040 0.041 0.000 9 6 no 0.211 0 0
1 109 PRO QD 41 no 75.0 7.6 0.006 0.085 0.079 23 15 no 0.260 0 0
1 109 PRO QG 152 yes 100.0 30.2 0.153 0.507 0.354 10 4 no 0.000 0 0
1 110 ASN QB 114 no 80.0 86.4 0.018 0.021 0.003 14 6 no 0.309 0 0
1 110 ASN QD 183 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 112 LEU QB 33 no 75.0 52.6 0.572 1.087 0.515 25 19 no 0.027 0 0
1 112 LEU QD 6 yes 75.0 57.4 3.941 6.867 2.926 45 21 yes 1.975 17 53
1 114 GLU QG 54 yes 90.0 96.2 0.151 0.157 0.006 21 9 no 0.269 0 0
1 117 ILE QG 137 yes 85.0 82.7 0.822 0.995 0.172 12 6 no 0.321 0 0
1 118 LYS QB 99 no 55.0 79.9 0.037 0.047 0.009 15 4 no 0.058 0 0
1 118 LYS QD 142 no 90.0 68.7 0.049 0.072 0.023 11 5 no 0.650 0 2
1 118 LYS QE 192 no 90.0 42.6 0.008 0.019 0.011 4 3 no 0.375 0 0
1 118 LYS QG 167 no 100.0 100.0 0.039 0.039 0.000 9 6 no 0.071 0 0
1 119 VAL QG 14 yes 85.0 85.2 2.939 3.450 0.512 33 13 yes 1.582 1 3
1 120 ASP QB 149 no 45.0 24.7 0.006 0.023 0.017 10 0 no 0.207 0 0
1 121 ASP QB 177 no 45.0 51.4 0.024 0.046 0.022 7 3 no 0.375 0 0
1 122 PRO QB 59 yes 100.0 43.0 0.413 0.959 0.546 21 14 no 0.341 0 0
1 122 PRO QD 69 yes 100.0 49.0 0.267 0.545 0.278 19 8 no 0.917 0 3
1 122 PRO QG 90 yes 100.0 89.4 0.351 0.392 0.041 17 11 no 0.329 0 0
1 124 ASP QB 88 yes 95.0 99.6 1.402 1.408 0.006 17 8 no 0.343 0 0
1 125 VAL QG 95 no 75.0 46.1 1.166 2.530 1.364 16 7 yes 1.100 3 13
1 126 GLU QB 78 yes 100.0 99.9 0.737 0.738 0.001 19 14 no 0.071 0 0
1 126 GLU QG 29 yes 75.0 80.5 1.011 1.257 0.245 26 18 no 0.520 0 1
1 128 TYR QB 195 no 40.0 12.2 0.001 0.012 0.011 3 3 no 0.246 0 0
1 129 GLU QB 120 no 55.0 4.6 0.002 0.039 0.037 14 11 no 0.416 0 0
1 130 TYR QB 17 no 100.0 75.1 1.325 1.765 0.440 31 19 no 0.000 0 0
1 131 ARG QB 43 no 35.0 67.2 0.046 0.069 0.022 23 17 no 0.416 0 0
1 131 ARG QD 157 no 70.0 3.9 0.001 0.019 0.018 10 8 no 0.313 0 0
1 131 ARG QG 48 no 55.0 52.9 0.060 0.113 0.053 22 15 no 0.730 0 1
1 132 ARG QB 108 no 100.0 0.0 0.000 0.000 0.000 15 12 no 0.000 0 0
1 132 ARG QD 127 no 75.0 8.5 0.022 0.259 0.237 13 10 no 0.662 0 2
1 132 ARG QG 146 no 40.0 2.3 0.000 0.004 0.004 11 8 no 0.035 0 0
1 133 ASP QB 106 no 85.0 14.3 0.003 0.019 0.016 15 10 no 0.329 0 0
1 134 GLY QA 170 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 135 ASP QB 182 no 5.0 83.4 0.001 0.001 0.000 6 4 no 0.054 0 0
1 136 TYR QB 34 no 100.0 16.7 0.020 0.121 0.101 24 4 no 0.335 0 0
1 137 LEU QB 35 no 100.0 0.0 0.000 0.000 0.000 24 12 no 0.000 0 0
1 137 LEU QD 1 no 90.0 81.2 13.351 16.440 3.089 66 36 yes 1.608 18 29
1 138 VAL QG 5 no 100.0 98.1 26.242 26.743 0.501 48 18 no 0.730 0 2
1 139 MET QB 104 yes 95.0 92.7 0.753 0.812 0.060 15 8 no 0.730 0 1
1 139 MET QG 20 no 70.0 37.8 0.084 0.224 0.139 30 21 yes 1.009 1 2
1 140 LYS QB 72 no 95.0 73.1 0.011 0.016 0.004 19 11 no 0.106 0 0
1 140 LYS QG 62 no 75.0 9.1 0.036 0.389 0.353 20 9 yes 1.183 2 3
1 141 MET QB 52 no 70.0 6.3 0.008 0.125 0.117 21 7 no 0.512 0 1
1 141 MET QG 77 no 90.0 93.2 0.042 0.045 0.003 19 14 no 0.855 0 1
1 142 SER QB 80 yes 95.0 86.5 0.254 0.294 0.040 18 6 no 0.512 0 1
1 143 TRP QB 15 no 75.0 40.7 0.323 0.793 0.470 33 21 no 0.476 0 0
1 144 LYS QB 45 no 45.0 28.9 0.067 0.232 0.165 22 6 no 0.962 0 2
1 144 LYS QE 96 no 55.0 35.8 0.028 0.078 0.050 16 10 no 0.413 0 0
1 145 GLY QA 160 no 100.0 0.0 0.000 0.000 0.000 9 1 no 0.000 0 0
1 146 VAL QG 40 no 100.0 98.9 8.829 8.924 0.095 23 15 no 0.662 0 1
1 147 SER QB 150 no 60.0 12.4 0.011 0.086 0.076 10 2 no 0.338 0 0
1 149 SER QB 44 yes 95.0 92.9 0.419 0.451 0.032 22 6 no 0.594 0 1
1 151 TYR QB 63 no 90.0 98.2 0.649 0.661 0.012 20 10 no 0.246 0 0
1 152 TYR QB 92 no 50.0 2.6 0.040 1.538 1.498 16 4 yes 1.592 13 13
1 153 LYS QB 133 no 10.0 39.6 0.046 0.115 0.069 12 3 yes 1.072 1 1
1 153 LYS QD 101 no 60.0 17.1 0.055 0.320 0.265 15 6 no 0.686 0 1
1 153 LYS QG 79 no 70.0 20.9 0.434 2.074 1.640 19 15 yes 1.738 13 15
1 154 LYS QB 155 no 85.0 14.6 0.002 0.011 0.009 10 5 no 0.000 0 0
1 154 LYS QE 193 no 25.0 18.1 0.008 0.046 0.038 4 4 no 0.632 0 1
1 154 LYS QG 172 yes 85.0 29.1 0.165 0.567 0.402 8 6 no 0.320 0 0
1 155 GLN QB 85 no 75.0 91.5 0.173 0.189 0.016 18 15 no 0.328 0 0
1 155 GLN QE 11 no 100.0 92.7 1.756 1.895 0.139 37 18 no 0.401 0 0
1 155 GLN QG 26 no 60.0 91.7 0.244 0.266 0.022 26 12 no 0.422 0 0
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